==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-OCT-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION 11-AUG-08 2JK3 . COMPND 2 MOLECULE: HEMOLYSIN II REGULATORY PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS CEREUS; . AUTHOR O.V.KOVALEVSKIY,A.S.SOLONIN,A.A.ANTSON . 363 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17995.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 277 76.3 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 . 0 0.0 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 223 61.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 2.8 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 3 0 1 2 4 0 2 0 4 2 0 0 1 0 2 2 0 0 0 1 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 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 S > 0 0 120 0, 0.0 4,-3.3 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -14.3 55.5 -25.9 64.5 2 5 A R H > + 0 0 141 2,-0.2 4,-1.9 3,-0.2 5,-0.1 0.954 360.0 38.6 -58.5 -53.3 52.4 -27.9 63.8 3 6 A E H > S+ 0 0 139 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.918 116.3 51.8 -58.8 -47.8 50.8 -25.1 65.8 4 7 A Q H > S+ 0 0 103 1,-0.2 4,-3.0 2,-0.2 -2,-0.2 0.934 109.0 49.9 -56.5 -47.0 53.2 -22.6 64.2 5 8 A T H X S+ 0 0 25 -4,-3.3 4,-1.9 1,-0.2 -1,-0.2 0.902 110.5 51.5 -55.8 -41.5 52.2 -23.7 60.7 6 9 A M H X S+ 0 0 41 -4,-1.9 4,-2.3 1,-0.2 3,-0.3 0.954 110.4 46.3 -68.4 -45.7 48.6 -23.4 61.6 7 10 A E H X S+ 0 0 84 -4,-2.5 4,-3.4 1,-0.2 5,-0.2 0.923 110.2 54.9 -58.7 -45.9 49.0 -19.9 62.9 8 11 A N H X S+ 0 0 65 -4,-3.0 4,-2.2 1,-0.2 -1,-0.2 0.832 109.3 47.6 -54.4 -36.7 51.0 -19.0 59.8 9 12 A I H X S+ 0 0 0 -4,-1.9 4,-2.3 -3,-0.3 -1,-0.2 0.881 114.0 46.3 -75.8 -36.6 48.1 -20.2 57.6 10 13 A L H X S+ 0 0 16 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.939 111.9 50.5 -69.2 -46.3 45.6 -18.3 59.6 11 14 A K H X S+ 0 0 144 -4,-3.4 4,-2.0 1,-0.2 -2,-0.2 0.939 114.2 45.9 -52.2 -52.2 47.7 -15.2 59.6 12 15 A A H X S+ 0 0 4 -4,-2.2 4,-2.7 -5,-0.2 5,-0.3 0.897 108.1 56.9 -56.2 -41.9 48.0 -15.6 55.8 13 16 A A H X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 5,-0.3 0.920 108.5 46.6 -57.6 -44.6 44.2 -16.2 55.6 14 17 A K H X S+ 0 0 24 -4,-2.4 4,-1.6 1,-0.2 -1,-0.2 0.908 113.2 49.6 -65.8 -45.2 43.5 -12.9 57.3 15 18 A K H X S+ 0 0 90 -4,-2.0 4,-1.7 -5,-0.2 -2,-0.2 0.957 116.0 38.6 -61.3 -55.3 45.9 -11.1 55.1 16 19 A K H X S+ 0 0 35 -4,-2.7 4,-1.7 2,-0.2 5,-0.3 0.943 114.5 51.1 -62.9 -53.8 44.7 -12.4 51.7 17 20 A F H X S+ 0 0 0 -4,-2.2 4,-3.6 -5,-0.3 -1,-0.2 0.875 108.9 55.6 -52.7 -39.6 41.0 -12.4 52.3 18 21 A G H < S+ 0 0 21 -4,-1.6 -1,-0.2 -5,-0.3 -2,-0.2 0.926 106.3 49.0 -60.5 -45.3 41.3 -8.8 53.5 19 22 A E H < S+ 0 0 105 -4,-1.7 -1,-0.2 -3,-0.2 -2,-0.2 0.831 133.3 11.5 -65.4 -30.8 43.0 -7.7 50.3 20 23 A R H X S- 0 0 142 -4,-1.7 4,-0.8 1,-0.2 -2,-0.2 0.526 96.2-128.8-128.6 -5.2 40.3 -9.3 48.0 21 24 A G H X - 0 0 4 -4,-3.6 4,-1.0 -5,-0.3 -1,-0.2 -0.187 49.6 -54.9 75.1-177.6 37.4 -10.4 50.1 22 25 A Y H >4 S+ 0 0 30 2,-0.2 3,-1.1 1,-0.2 -1,-0.1 0.980 132.0 44.4 -64.6 -65.7 35.9 -13.9 50.0 23 26 A E H 34 S+ 0 0 133 1,-0.2 -1,-0.2 3,-0.0 -2,-0.1 0.936 116.1 46.1 -40.3 -64.3 35.1 -14.3 46.3 24 27 A G H 3< S+ 0 0 44 -4,-0.8 2,-0.3 -7,-0.1 -1,-0.2 0.573 95.5 85.9 -67.1 -14.9 38.4 -12.9 45.0 25 28 A T << - 0 0 3 -3,-1.1 2,-0.4 -4,-1.0 -8,-0.1 -0.675 60.1-159.4 -89.9 145.2 40.8 -14.8 47.4 26 29 A S > - 0 0 34 -2,-0.3 4,-1.6 1,-0.1 3,-0.4 -0.953 26.6-129.6-120.0 144.2 42.0 -18.3 46.6 27 30 A I H > S+ 0 0 24 -2,-0.4 4,-3.5 1,-0.2 5,-0.3 0.878 109.3 65.0 -50.7 -40.3 43.5 -21.0 48.9 28 31 A Q H > S+ 0 0 136 1,-0.2 4,-3.2 2,-0.2 -1,-0.2 0.940 104.3 45.4 -45.0 -55.4 46.4 -21.2 46.4 29 32 A E H > S+ 0 0 41 -3,-0.4 4,-2.6 2,-0.2 -1,-0.2 0.828 114.2 46.0 -60.3 -42.9 47.3 -17.7 47.3 30 33 A I H X S+ 0 0 1 -4,-1.6 4,-3.2 2,-0.2 5,-0.3 0.913 113.6 50.3 -68.3 -46.8 47.0 -18.1 51.1 31 34 A A H X>S+ 0 0 2 -4,-3.5 5,-1.9 1,-0.2 4,-0.8 0.976 114.5 44.9 -46.8 -62.7 48.9 -21.4 50.9 32 35 A K H ><5S+ 0 0 159 -4,-3.2 3,-0.6 -5,-0.3 -2,-0.2 0.867 111.5 53.2 -47.5 -47.5 51.5 -19.5 48.9 33 36 A E H 3<5S+ 0 0 51 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.938 112.2 42.4 -63.0 -46.0 51.4 -16.6 51.4 34 37 A A H 3<5S- 0 0 14 -4,-3.2 -1,-0.3 -25,-0.1 -2,-0.2 0.554 115.1-120.8 -72.8 -8.0 52.0 -18.8 54.5 35 38 A K T <<5S+ 0 0 160 -4,-0.8 2,-0.3 -3,-0.6 -3,-0.2 0.971 73.8 110.1 61.2 56.5 54.6 -20.7 52.4 36 39 A V S - 0 0 104 -2,-0.3 4,-1.5 1,-0.1 5,-0.2 -0.416 33.5-119.7 -72.7 151.7 51.3 -26.4 50.1 38 41 A V H > S+ 0 0 69 1,-0.2 4,-1.7 2,-0.2 5,-0.2 0.858 114.8 58.1 -46.5 -43.8 47.7 -26.0 49.0 39 42 A A H > S+ 0 0 58 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.888 101.2 52.3 -60.7 -48.0 47.1 -29.4 50.4 40 43 A M H > S+ 0 0 76 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.896 112.2 44.9 -57.8 -47.5 48.3 -28.7 53.9 41 44 A A H X S+ 0 0 1 -4,-1.5 4,-1.3 2,-0.2 -1,-0.2 0.814 113.3 50.2 -70.3 -29.7 46.0 -25.6 54.3 42 45 A S H X>S+ 0 0 50 -4,-1.7 5,-0.6 -5,-0.2 4,-0.6 0.830 113.4 47.5 -79.0 -28.9 43.0 -27.5 52.9 43 46 A Y H <5S+ 0 0 192 -4,-2.2 -2,-0.2 3,-0.2 -1,-0.2 0.886 111.5 47.8 -71.3 -46.0 43.7 -30.4 55.3 44 47 A Y H <5S+ 0 0 56 -4,-2.3 -2,-0.2 1,-0.2 -3,-0.1 0.824 130.8 19.9 -69.1 -33.3 44.1 -28.3 58.5 45 48 A F H <5S- 0 0 9 -4,-1.3 -1,-0.2 -5,-0.2 6,-0.2 0.240 99.2-127.9-124.1 10.1 41.0 -26.2 57.9 46 49 A N T <5 - 0 0 133 -4,-0.6 4,-0.4 4,-0.1 -3,-0.2 0.898 67.5 -24.1 40.2 72.3 39.1 -28.3 55.5 47 50 A G S > S+ 0 0 56 1,-0.2 4,-2.6 2,-0.2 5,-0.1 0.924 121.2 49.7 -62.9 -53.1 38.0 -22.2 51.9 49 52 A E H > S+ 0 0 88 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.919 113.6 44.8 -59.3 -47.8 34.7 -21.4 53.8 50 53 A N H > S+ 0 0 64 -4,-0.4 4,-3.1 1,-0.2 -1,-0.2 0.917 112.8 51.9 -61.5 -41.7 35.8 -23.0 57.0 51 54 A L H X S+ 0 0 0 -4,-2.1 4,-1.3 1,-0.2 -2,-0.2 0.892 107.5 54.8 -61.3 -35.3 39.1 -21.3 56.7 52 55 A Y H X S+ 0 0 0 -4,-2.6 4,-1.1 2,-0.2 3,-0.3 0.951 111.5 41.7 -63.4 -47.7 37.2 -18.1 56.2 53 56 A Y H X S+ 0 0 15 -4,-2.3 4,-3.0 1,-0.2 3,-0.5 0.904 107.7 61.3 -68.4 -39.5 35.2 -18.5 59.5 54 57 A E H X S+ 0 0 43 -4,-3.1 4,-3.1 1,-0.3 5,-0.3 0.824 98.5 59.3 -53.4 -33.2 38.4 -19.8 61.4 55 58 A V H X S+ 0 0 0 -4,-1.3 4,-3.2 -3,-0.3 5,-0.3 0.924 109.0 42.3 -65.2 -40.0 39.8 -16.4 60.6 56 59 A F H X S+ 0 0 0 -4,-1.1 4,-2.5 -3,-0.5 6,-0.3 0.931 114.4 51.1 -70.2 -41.5 37.0 -14.7 62.5 57 60 A K H < S+ 0 0 135 -4,-3.0 -2,-0.2 2,-0.2 -1,-0.2 0.924 119.3 38.2 -56.4 -44.7 37.2 -17.3 65.2 58 61 A K H < S+ 0 0 80 -4,-3.1 -2,-0.2 -5,-0.2 -3,-0.2 0.948 130.9 23.6 -75.2 -50.7 40.9 -16.6 65.5 59 62 A Y H < S+ 0 0 29 -4,-3.2 -3,-0.2 -5,-0.3 -2,-0.2 0.513 100.5 96.5-103.4 -2.3 41.1 -12.9 65.0 60 63 A G S < S- 0 0 2 -4,-2.5 3,-0.2 -5,-0.3 59,-0.1 0.118 83.9-100.5 -76.6-165.8 37.6 -11.6 66.0 61 64 A L S >> S+ 0 0 4 57,-0.9 3,-2.3 1,-0.2 4,-0.8 0.574 80.3 115.7 -89.6 -10.9 36.4 -10.2 69.2 62 65 A A T 34 S+ 0 0 49 56,-0.5 -1,-0.2 -6,-0.3 -5,-0.1 0.702 92.8 8.1 -48.6 -41.3 34.6 -13.3 70.6 63 66 A N T 34 S+ 0 0 162 -3,-0.2 -1,-0.3 1,-0.1 -2,-0.1 0.202 107.1 92.0-121.3 25.8 36.7 -14.0 73.7 64 67 A E T <4 + 0 0 107 -3,-2.3 -2,-0.1 2,-0.0 -1,-0.1 0.794 66.3 81.5 -87.2 -30.4 38.8 -10.9 73.8 65 68 A L < - 0 0 35 -4,-0.8 18,-0.0 1,-0.1 2,-0.0 -0.643 55.8-160.3 -94.8 130.9 36.8 -8.6 76.0 66 69 A P - 0 0 64 0, 0.0 2,-1.0 0, 0.0 -1,-0.1 -0.058 48.2 -74.8 -79.3-169.6 36.6 -8.5 79.9 67 70 A N > - 0 0 67 1,-0.2 4,-3.0 2,-0.1 5,-0.2 -0.772 46.0-172.8 -97.6 101.1 33.8 -6.9 81.8 68 71 A F H > S+ 0 0 0 -2,-1.0 4,-1.3 2,-0.2 6,-0.2 0.839 80.7 52.2 -64.4 -38.5 34.5 -3.2 81.5 69 72 A L H >4>S+ 0 0 10 2,-0.2 5,-2.8 1,-0.2 3,-0.9 0.981 115.0 42.7 -57.6 -58.3 31.8 -2.0 84.0 70 73 A E H >45S+ 0 0 125 1,-0.3 3,-1.6 3,-0.2 -2,-0.2 0.933 113.1 53.3 -47.4 -50.4 33.1 -4.4 86.6 71 74 A K H 3<5S+ 0 0 115 -4,-3.0 -1,-0.3 1,-0.3 -2,-0.2 0.740 111.6 46.8 -66.0 -20.3 36.6 -3.4 85.8 72 75 A N T X<5S- 0 0 32 -4,-1.3 3,-2.1 -3,-0.9 -1,-0.3 -0.018 114.8-105.6-113.4 26.1 35.7 0.3 86.2 73 76 A Q T < 5S- 0 0 161 -3,-1.6 -3,-0.2 1,-0.3 -2,-0.1 0.831 73.6 -66.4 54.5 32.5 33.8 0.3 89.5 74 77 A F T 3 - 0 0 68 -3,-2.1 4,-2.5 -6,-0.3 -1,-0.2 -0.806 37.2-158.0 -79.3 104.3 31.5 4.3 86.4 76 79 A P H > S+ 0 0 2 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.745 84.6 54.5 -62.6 -25.8 29.8 4.0 83.0 77 80 A I H > S+ 0 0 53 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.928 112.5 43.4 -76.1 -45.6 31.7 6.6 81.2 78 81 A N H > S+ 0 0 52 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.896 113.6 52.9 -60.5 -42.2 35.0 5.0 82.0 79 82 A A H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.953 113.9 42.4 -59.6 -46.6 33.6 1.6 81.2 80 83 A L H X S+ 0 0 0 -4,-2.6 4,-2.9 1,-0.2 5,-0.4 0.947 111.3 53.6 -70.4 -43.7 32.5 2.8 77.7 81 84 A R H X S+ 0 0 131 -4,-3.0 4,-1.6 1,-0.2 -1,-0.2 0.930 113.8 43.7 -56.6 -39.0 35.6 4.7 77.1 82 85 A E H X S+ 0 0 50 -4,-2.4 4,-2.1 2,-0.2 5,-0.2 0.895 112.6 51.6 -75.0 -39.1 37.6 1.5 77.8 83 86 A Y H X S+ 0 0 2 -4,-2.6 4,-2.9 -5,-0.2 -2,-0.2 0.915 112.7 45.2 -56.6 -48.1 35.2 -0.7 75.8 84 87 A L H X S+ 0 0 1 -4,-2.9 4,-2.4 1,-0.2 5,-0.3 0.828 112.5 51.0 -67.7 -34.0 35.4 1.5 72.7 85 88 A T H X S+ 0 0 60 -4,-1.6 4,-2.1 -5,-0.4 -1,-0.2 0.904 114.4 42.9 -72.9 -38.0 39.1 1.8 72.9 86 89 A V H X S+ 0 0 50 -4,-2.1 4,-2.1 2,-0.2 5,-0.2 0.926 115.1 49.9 -76.8 -41.2 39.6 -1.9 73.2 87 90 A F H X S+ 0 0 2 -4,-2.9 4,-2.0 -5,-0.2 -2,-0.2 0.980 116.6 40.0 -55.4 -55.4 37.1 -2.6 70.5 88 91 A T H X S+ 0 0 34 -4,-2.4 4,-3.1 1,-0.2 -2,-0.2 0.854 115.5 52.5 -67.8 -33.8 38.6 -0.1 68.0 89 92 A T H X S+ 0 0 60 -4,-2.1 4,-1.1 -5,-0.3 -1,-0.2 0.868 106.1 53.4 -69.7 -34.0 42.1 -1.1 68.9 90 93 A H H X S+ 0 0 21 -4,-2.1 4,-1.1 2,-0.2 -2,-0.2 0.909 114.2 42.4 -68.4 -39.8 41.4 -4.7 68.3 91 94 A I H >< S+ 0 0 5 -4,-2.0 3,-1.3 2,-0.2 -2,-0.2 0.968 107.7 57.9 -67.4 -52.9 40.2 -3.9 64.9 92 95 A K H 3< S+ 0 0 178 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.795 110.9 47.3 -45.1 -25.7 43.0 -1.5 64.2 93 96 A E H 3< S+ 0 0 132 -4,-1.1 -1,-0.3 1,-0.3 -2,-0.2 0.743 127.5 24.4 -90.0 -25.1 45.2 -4.5 64.9 94 97 A N S XX S+ 0 0 16 -3,-1.3 3,-1.3 -4,-1.1 4,-0.6 -0.723 74.1 170.1-133.8 75.1 43.3 -6.9 62.7 95 98 A P H >> + 0 0 63 0, 0.0 4,-2.7 0, 0.0 3,-0.7 0.835 66.7 68.8 -73.9 -23.2 41.6 -4.6 60.2 96 99 A E H 3> S+ 0 0 35 1,-0.2 4,-3.0 2,-0.2 5,-0.5 0.770 90.3 65.1 -58.4 -26.3 40.3 -7.3 57.8 97 100 A I H <> S+ 0 0 0 -3,-1.3 4,-1.8 -6,-0.2 -1,-0.2 0.931 110.9 35.0 -65.9 -41.4 37.9 -8.4 60.5 98 101 A G H S+ 0 0 1 -4,-2.5 5,-2.2 1,-0.2 4,-0.3 0.879 114.9 51.1 -59.3 -35.7 29.3 -9.3 54.5 105 108 A I H ><5S+ 0 0 2 -4,-2.4 3,-1.0 -5,-0.2 -1,-0.2 0.947 110.7 43.1 -67.7 -53.7 26.9 -7.2 56.6 106 109 A I H 3<5S+ 0 0 10 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.782 120.7 44.1 -68.4 -22.1 26.0 -4.5 54.0 107 110 A K T 3<5S- 0 0 93 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.454 100.0-140.5 -93.5 -5.4 25.7 -7.3 51.4 108 111 A E T < 5 - 0 0 72 -3,-1.0 -3,-0.2 -4,-0.3 -4,-0.1 0.915 36.0-174.1 43.6 50.1 23.8 -9.5 53.8 109 112 A S > < - 0 0 24 -5,-2.2 3,-0.9 -6,-0.2 4,-0.4 -0.143 39.4-107.8 -69.7 169.7 25.8 -12.4 52.3 110 113 A A T 3 S+ 0 0 94 1,-0.2 3,-0.4 2,-0.2 4,-0.4 0.747 119.3 61.3 -67.8 -23.3 25.2 -16.1 53.2 111 114 A R T >> S+ 0 0 38 1,-0.2 4,-0.9 2,-0.1 3,-0.8 0.703 84.4 80.9 -73.6 -20.5 28.4 -16.0 55.2 112 115 A L H X> S+ 0 0 20 -3,-0.9 4,-2.7 1,-0.2 3,-1.0 0.891 82.9 59.6 -55.4 -46.5 27.0 -13.3 57.5 113 116 A E H 34 S+ 0 0 158 -4,-0.4 -1,-0.2 -3,-0.4 -2,-0.1 0.816 110.2 41.0 -54.5 -39.5 25.1 -15.8 59.6 114 117 A K H <4 S+ 0 0 127 -3,-0.8 -1,-0.3 -4,-0.4 -2,-0.2 0.533 115.6 51.5 -91.1 -6.0 28.2 -17.7 60.7 115 118 A I H X< S+ 0 0 1 -3,-1.0 3,-2.5 -4,-0.9 -2,-0.2 0.785 93.8 72.2 -89.3 -37.7 30.3 -14.6 61.1 116 119 A K G >X S+ 0 0 57 -4,-2.7 3,-3.2 1,-0.3 4,-1.4 0.846 83.4 67.9 -50.3 -41.9 27.8 -12.8 63.4 117 120 A P G 34 S+ 0 0 69 0, 0.0 4,-0.4 0, 0.0 -1,-0.3 0.689 92.2 62.2 -57.1 -14.9 28.5 -15.0 66.4 118 121 A Y G <4 S+ 0 0 49 -3,-2.5 -57,-0.9 1,-0.2 -56,-0.5 0.465 112.6 35.7 -91.9 3.3 32.0 -13.6 66.6 119 122 A F T <> S+ 0 0 1 -3,-3.2 4,-1.8 -4,-0.2 3,-0.4 0.507 92.3 88.6-118.5 -20.9 30.5 -10.1 67.3 120 123 A I H X S+ 0 0 66 -4,-1.4 4,-2.2 1,-0.2 5,-0.2 0.879 86.3 50.4 -59.0 -44.0 27.5 -10.8 69.3 121 124 A G H > S+ 0 0 41 -4,-0.4 4,-1.5 1,-0.2 -1,-0.2 0.868 108.8 52.6 -63.2 -36.8 29.1 -10.7 72.8 122 125 A S H > S+ 0 0 8 -3,-0.4 4,-2.2 2,-0.2 -1,-0.2 0.895 109.4 49.7 -66.5 -37.3 30.7 -7.4 72.2 123 126 A F H X S+ 0 0 18 -4,-1.8 4,-2.2 1,-0.2 -2,-0.2 0.920 110.6 49.9 -67.3 -37.0 27.4 -5.8 71.1 124 127 A E H X S+ 0 0 107 -4,-2.2 4,-1.6 -5,-0.2 -1,-0.2 0.810 107.9 51.8 -79.8 -18.6 25.7 -7.1 74.1 125 128 A Q H X S+ 0 0 17 -4,-1.5 4,-2.3 -5,-0.2 5,-0.2 0.924 107.9 53.8 -75.3 -42.3 28.4 -5.7 76.4 126 129 A L H X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 5,-0.2 0.915 107.8 51.5 -49.1 -45.6 27.9 -2.4 74.7 127 130 A K H X S+ 0 0 81 -4,-2.2 4,-2.6 1,-0.2 -1,-0.2 0.929 108.4 49.3 -61.8 -43.2 24.2 -2.6 75.5 128 131 A E H X S+ 0 0 94 -4,-1.6 4,-2.3 2,-0.2 -1,-0.2 0.912 112.6 48.3 -64.3 -39.0 24.8 -3.3 79.2 129 132 A I H X S+ 0 0 1 -4,-2.3 4,-2.4 1,-0.2 5,-0.2 0.924 111.2 48.4 -69.3 -46.1 27.1 -0.4 79.5 130 133 A L H X S+ 0 0 0 -4,-2.5 4,-2.6 -5,-0.2 -1,-0.2 0.904 112.6 50.0 -57.1 -42.2 24.9 2.0 77.7 131 134 A Q H X S+ 0 0 82 -4,-2.6 4,-2.6 -5,-0.2 -2,-0.2 0.914 109.2 50.1 -69.7 -35.8 22.0 0.9 79.9 132 135 A E H X S+ 0 0 47 -4,-2.3 4,-2.2 2,-0.2 6,-0.2 0.964 112.6 47.6 -64.5 -49.9 23.9 1.3 83.2 133 136 A G H <>S+ 0 0 0 -4,-2.4 5,-2.2 2,-0.2 6,-1.1 0.907 111.9 50.0 -55.0 -43.8 25.0 4.8 82.1 134 137 A E H ><5S+ 0 0 83 -4,-2.6 3,-1.4 1,-0.2 -1,-0.2 0.941 110.5 51.0 -60.9 -47.7 21.4 5.7 81.1 135 138 A K H 3<5S+ 0 0 169 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.871 109.7 49.3 -51.9 -42.6 20.2 4.4 84.5 136 139 A Q T 3<5S- 0 0 83 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.475 115.4-115.7 -83.0 2.9 22.7 6.5 86.3 137 140 A G T < 5S+ 0 0 43 -3,-1.4 -3,-0.2 -4,-0.4 -2,-0.1 0.639 87.7 110.7 73.9 15.4 21.7 9.6 84.4 138 141 A V S - 0 0 31 1,-0.1 4,-1.8 213,-0.1 -1,-0.3 -0.999 54.7-156.6-133.9 127.9 16.5 4.5 72.0 144 147 A I H > S+ 0 0 27 -2,-0.4 4,-3.0 2,-0.2 5,-0.3 0.919 101.8 52.8 -64.7 -40.8 19.2 2.0 73.2 145 148 A N H > S+ 0 0 57 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.949 108.9 45.9 -62.9 -53.0 18.7 0.1 69.9 146 149 A H H > S+ 0 0 3 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.912 114.5 50.9 -53.8 -42.0 19.2 3.2 67.7 147 150 A T H X S+ 0 0 2 -4,-1.8 4,-2.2 1,-0.2 -2,-0.2 0.904 108.5 48.5 -69.4 -45.3 22.3 4.1 69.8 148 151 A I H X S+ 0 0 15 -4,-3.0 4,-2.8 1,-0.2 5,-0.4 0.923 110.5 55.6 -58.2 -44.6 23.9 0.6 69.5 149 152 A H H X S+ 0 0 0 -4,-2.5 4,-2.1 -5,-0.3 -2,-0.2 0.926 111.4 39.8 -52.3 -51.0 23.2 0.8 65.8 150 153 A W H X S+ 0 0 14 -4,-2.3 4,-1.8 2,-0.2 5,-0.2 0.842 115.4 52.4 -76.8 -28.0 25.1 4.0 65.2 151 154 A I H X S+ 0 0 3 -4,-2.2 4,-2.3 -5,-0.2 5,-0.2 0.973 114.7 39.4 -70.2 -50.0 27.9 3.3 67.5 152 155 A T H X S+ 0 0 2 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.871 111.7 60.4 -67.8 -32.4 28.7 -0.1 66.0 153 156 A S H < S+ 0 0 0 -4,-2.1 4,-0.2 -5,-0.4 -1,-0.2 0.928 113.4 34.5 -60.5 -43.5 28.1 1.2 62.5 154 157 A I H >< S+ 0 0 2 -4,-1.8 3,-0.6 1,-0.2 -1,-0.2 0.824 116.3 54.7 -82.8 -27.3 30.9 3.8 62.8 155 158 A V H 3< S+ 0 0 6 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.874 109.6 46.7 -73.4 -34.7 33.2 1.7 65.0 156 159 A L T 3< S+ 0 0 1 -4,-2.2 -54,-0.2 1,-0.2 -1,-0.2 0.525 113.1 51.9 -84.0 -1.2 33.3 -1.1 62.5 157 160 A F X> + 0 0 2 -3,-0.6 3,-1.9 -4,-0.2 4,-0.6 -0.433 60.9 160.1-130.2 56.9 33.9 1.2 59.6 158 161 A P H >> S+ 0 0 81 0, 0.0 3,-0.9 0, 0.0 4,-0.7 0.813 72.0 58.9 -49.7 -39.7 36.9 3.4 60.6 159 162 A K H 3> S+ 0 0 75 1,-0.2 4,-1.7 2,-0.2 5,-0.2 0.694 89.6 70.5 -70.8 -15.8 37.7 4.4 57.0 160 163 A F H <> S+ 0 0 0 -3,-1.9 4,-2.0 1,-0.2 -1,-0.2 0.869 92.4 60.7 -68.9 -31.2 34.3 6.0 56.4 161 164 A K H 0 0 86 0, 0.0 4,-1.9 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -18.9 39.0 11.3 68.5 169 176 A L H > + 0 0 31 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.904 360.0 51.9 -62.7 -45.5 36.2 8.8 67.8 170 177 A V H > S+ 0 0 25 1,-0.2 4,-2.5 2,-0.2 3,-0.4 0.961 112.1 45.4 -60.3 -46.5 35.9 7.5 71.3 171 178 A S H > S+ 0 0 76 1,-0.2 4,-3.3 2,-0.2 5,-0.2 0.867 110.8 54.4 -71.8 -28.7 35.6 11.0 72.9 172 179 A R H X S+ 0 0 60 -4,-1.9 4,-1.5 2,-0.2 -1,-0.2 0.788 108.7 48.4 -66.4 -33.1 33.1 12.0 70.2 173 180 A I H X S+ 0 0 0 -4,-1.9 4,-2.0 -3,-0.4 -2,-0.2 0.903 114.5 46.1 -72.5 -43.0 30.9 9.0 71.0 174 181 A I H X S+ 0 0 20 -4,-2.5 4,-2.8 2,-0.2 5,-0.3 0.956 112.4 48.8 -61.5 -51.6 31.1 9.9 74.7 175 182 A S H X S+ 0 0 23 -4,-3.3 4,-1.3 1,-0.2 -1,-0.2 0.901 110.5 53.9 -58.2 -38.2 30.4 13.6 74.2 176 183 A A H < S+ 0 0 25 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.923 113.7 41.0 -59.9 -43.0 27.4 12.6 72.0 177 184 A L H < S+ 0 0 3 -4,-2.0 -37,-2.8 1,-0.2 -2,-0.2 0.874 114.9 47.8 -76.7 -37.5 26.0 10.4 74.8 178 185 A T H < S+ 0 0 50 -4,-2.8 2,-0.2 -39,-0.2 -1,-0.2 0.677 83.2 107.1 -78.3 -20.0 26.6 12.6 77.8 179 186 A D < - 0 0 52 -4,-1.3 -39,-0.2 -5,-0.3 145,-0.1 -0.453 63.1-148.9 -59.6 124.2 25.2 15.7 76.2 180 187 A K - 0 0 151 -2,-0.2 143,-0.1 -41,-0.1 -2,-0.1 -0.874 17.8-117.6-102.2 122.6 21.8 16.4 77.8 181 188 A P - 0 0 23 0, 0.0 141,-0.0 0, 0.0 181,-0.0 -0.167 17.3-126.8 -57.6 140.7 19.2 18.0 75.6 182 189 A N 0 0 153 1,-0.2 140,-0.0 137,-0.0 -2,-0.0 0.981 360.0 360.0 -48.6 -68.7 18.0 21.4 76.7 183 190 A I 0 0 129 136,-0.2 -1,-0.2 0, 0.0 180,-0.0 0.575 360.0 360.0 3.6 360.0 14.2 20.6 76.7 184 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 185 4 B S > 0 0 120 0, 0.0 4,-2.6 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 29.0 15.1 5.4 22.1 186 5 B R H > + 0 0 190 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.820 360.0 52.2 -60.5 -29.3 18.8 6.1 21.9 187 6 B E H > S+ 0 0 150 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.916 105.0 53.2 -69.1 -42.8 18.3 7.3 25.4 188 7 B Q H > S+ 0 0 90 1,-0.2 4,-2.7 2,-0.2 -2,-0.2 0.907 109.5 50.2 -56.5 -39.9 16.7 4.0 26.3 189 8 B T H X S+ 0 0 36 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.949 110.5 47.3 -63.9 -49.8 19.8 2.2 24.8 190 9 B M H X S+ 0 0 66 -4,-2.1 4,-2.5 1,-0.2 -1,-0.2 0.892 112.2 52.7 -57.7 -37.8 22.2 4.3 26.8 191 10 B E H X S+ 0 0 75 -4,-2.7 4,-3.9 1,-0.2 5,-0.3 0.934 105.5 53.0 -64.2 -47.0 20.0 3.6 29.8 192 11 B N H X S+ 0 0 61 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.894 109.4 48.8 -56.0 -42.6 20.2 -0.1 29.2 193 12 B I H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.941 114.0 46.4 -62.5 -45.2 23.9 0.0 29.1 194 13 B L H X S+ 0 0 12 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.936 112.9 49.4 -63.3 -46.4 24.0 2.1 32.4 195 14 B K H X S+ 0 0 128 -4,-3.9 4,-2.4 1,-0.2 -1,-0.2 0.914 113.1 47.2 -55.6 -43.6 21.5 -0.3 34.0 196 15 B A H X S+ 0 0 5 -4,-2.4 4,-2.6 -5,-0.3 5,-0.2 0.841 111.2 52.0 -69.2 -34.0 23.6 -3.3 33.0 197 16 B A H X S+ 0 0 0 -4,-2.2 4,-3.1 2,-0.2 5,-0.4 0.914 109.4 48.5 -70.3 -41.8 26.7 -1.7 34.2 198 17 B K H X S+ 0 0 27 -4,-2.6 4,-3.1 2,-0.2 -2,-0.2 0.977 115.1 45.7 -59.6 -54.2 25.3 -1.0 37.6 199 18 B K H X S+ 0 0 81 -4,-2.4 4,-1.6 2,-0.2 -2,-0.2 0.942 118.2 40.9 -54.3 -53.0 24.0 -4.5 37.9 200 19 B K H X S+ 0 0 28 -4,-2.6 4,-2.0 1,-0.2 5,-0.3 0.903 116.7 47.3 -69.9 -44.6 27.2 -6.2 36.7 201 20 B F H X S+ 0 0 0 -4,-3.1 4,-2.8 -5,-0.2 -1,-0.2 0.912 109.2 58.1 -57.2 -43.1 29.6 -3.9 38.6 202 21 B G H < S+ 0 0 16 -4,-3.1 -2,-0.2 -5,-0.4 -1,-0.2 0.880 110.1 42.5 -51.9 -43.1 27.4 -4.4 41.6 203 22 B E H < S+ 0 0 98 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.915 131.9 15.9 -77.3 -45.8 28.0 -8.2 41.5 204 23 B R H X S- 0 0 95 -4,-2.0 4,-0.8 1,-0.2 -2,-0.2 0.520 100.1-122.2-109.3 -5.9 31.7 -8.5 40.7 205 24 B G T < - 0 0 18 -4,-2.8 4,-0.5 -5,-0.3 -1,-0.2 -0.061 44.6 -63.1 79.1 168.5 33.1 -5.0 41.5 206 25 B Y T >4 S+ 0 0 30 1,-0.2 3,-0.9 2,-0.2 -1,-0.2 0.906 134.1 47.1 -57.5 -46.3 35.0 -2.8 39.1 207 26 B E T 34 S+ 0 0 102 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.2 0.892 111.6 48.3 -65.3 -41.7 37.9 -5.2 38.6 208 27 B G T 3< S+ 0 0 39 -4,-0.8 2,-0.3 -7,-0.1 -1,-0.2 0.296 100.3 75.7 -90.7 9.7 35.9 -8.4 38.0 209 28 B T < - 0 0 4 -3,-0.9 2,-0.3 -4,-0.5 -8,-0.0 -0.801 60.1-167.2-112.3 157.4 33.5 -6.9 35.5 210 29 B S > - 0 0 37 -2,-0.3 4,-2.2 1,-0.1 3,-0.4 -0.963 37.0-109.7-139.5 162.0 34.3 -6.2 31.8 211 30 B I H > S+ 0 0 31 -2,-0.3 4,-4.5 1,-0.2 5,-0.2 0.793 117.1 60.6 -58.3 -31.2 32.5 -4.3 29.1 212 31 B Q H > S+ 0 0 111 2,-0.2 4,-3.1 1,-0.2 -1,-0.2 0.917 106.2 43.6 -60.6 -48.7 31.8 -7.6 27.4 213 32 B E H > S+ 0 0 64 -3,-0.4 4,-2.9 2,-0.2 -2,-0.2 0.915 120.4 44.0 -65.5 -39.6 29.7 -8.9 30.3 214 33 B I H X S+ 0 0 0 -4,-2.2 4,-3.0 2,-0.2 -2,-0.2 0.964 113.8 48.0 -69.5 -51.9 28.1 -5.5 30.5 215 34 B A H X>S+ 0 0 2 -4,-4.5 5,-1.9 2,-0.2 4,-0.7 0.931 114.9 47.8 -51.3 -48.4 27.6 -5.2 26.8 216 35 B K H ><5S+ 0 0 170 -4,-3.1 3,-1.3 2,-0.2 -2,-0.2 0.952 110.2 50.7 -58.5 -55.0 26.1 -8.7 26.8 217 36 B E H 3<5S+ 0 0 77 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.915 114.2 45.2 -46.6 -48.8 23.9 -8.1 29.7 218 37 B A H 3<5S- 0 0 14 -4,-3.0 -1,-0.3 -5,-0.2 -2,-0.2 0.562 112.1-124.1 -76.7 -7.1 22.6 -4.9 28.0 219 38 B K T <<5S+ 0 0 192 -3,-1.3 2,-0.3 -4,-0.7 -3,-0.2 0.926 73.6 108.3 66.0 45.3 22.2 -6.8 24.6 220 39 B V S > - 0 0 110 -2,-0.3 4,-1.1 1,-0.1 3,-1.1 -0.478 35.8-106.0 -82.7 165.2 27.8 -5.3 21.2 222 41 B V H 3> S+ 0 0 43 1,-0.3 4,-3.4 2,-0.2 3,-0.5 0.869 118.4 63.2 -53.8 -44.3 30.9 -3.9 22.9 223 42 B A H 3> S+ 0 0 69 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.810 101.1 52.5 -48.4 -38.0 31.4 -1.4 20.0 224 43 B M H <> S+ 0 0 57 -3,-1.1 4,-1.7 2,-0.2 -1,-0.2 0.868 112.7 44.0 -67.0 -37.2 28.1 0.2 21.0 225 44 B A H X>S+ 0 0 1 -4,-1.1 4,-2.7 -3,-0.5 5,-0.8 0.935 113.6 48.8 -74.9 -47.0 29.1 0.6 24.5 226 45 B S H X5S+ 0 0 41 -4,-3.4 4,-1.3 1,-0.2 -2,-0.2 0.902 108.1 58.7 -56.8 -39.8 32.5 1.8 23.7 227 46 B Y H <5S+ 0 0 171 -4,-2.1 -1,-0.2 -5,-0.3 -2,-0.2 0.923 116.4 30.4 -53.8 -51.2 30.8 4.2 21.3 228 47 B Y H <5S+ 0 0 57 -4,-1.7 -1,-0.2 1,-0.1 -2,-0.2 0.742 139.6 15.1 -83.0 -26.6 28.7 5.8 24.1 229 48 B F H <5S- 0 0 4 -4,-2.7 -3,-0.2 -5,-0.1 -2,-0.2 0.589 82.6-144.6-130.8 -20.3 31.0 5.5 27.1 230 49 B N << + 0 0 127 -4,-1.3 4,-0.3 -5,-0.8 -4,-0.2 0.944 63.8 1.6 55.0 66.0 34.4 4.7 25.8 231 50 B G S > S- 0 0 27 2,-0.1 4,-2.2 1,-0.1 5,-0.2 0.021 77.8 -91.0 109.9 151.4 35.9 2.3 28.4 232 51 B K H > S+ 0 0 45 1,-0.2 4,-2.9 2,-0.2 5,-0.1 0.921 118.9 54.6 -62.4 -47.5 35.2 0.6 31.6 233 52 B E H > S+ 0 0 102 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.928 111.4 43.7 -55.4 -49.1 36.5 3.3 33.8 234 53 B N H > S+ 0 0 68 -4,-0.3 4,-2.3 1,-0.2 -1,-0.2 0.870 111.5 54.0 -70.0 -36.6 34.3 6.0 32.2 235 54 B L H X S+ 0 0 1 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.936 105.6 55.4 -55.0 -48.3 31.3 3.7 32.3 236 55 B Y H >X S+ 0 0 0 -4,-2.9 4,-1.3 1,-0.2 3,-0.7 0.957 109.9 43.9 -50.7 -57.9 31.9 3.2 36.0 237 56 B Y H 3X S+ 0 0 23 -4,-2.0 4,-2.5 1,-0.3 -1,-0.2 0.860 108.8 57.7 -59.4 -37.7 31.8 6.9 36.7 238 57 B E H 3X S+ 0 0 53 -4,-2.3 4,-2.6 1,-0.2 -1,-0.3 0.825 101.8 57.1 -64.3 -31.6 28.7 7.3 34.5 239 58 B V H - 0 0 72 1,-0.2 4,-3.0 2,-0.1 3,-0.4 -0.755 34.3-163.8 -85.0 108.4 16.7 22.6 49.0 250 71 B F H > S+ 0 0 5 -2,-0.9 4,-1.4 1,-0.3 7,-0.2 0.806 84.3 55.9 -71.1 -31.0 14.6 20.8 51.7 251 72 B L H 4>S+ 0 0 13 2,-0.2 5,-3.8 1,-0.2 6,-0.5 0.880 114.6 42.6 -62.8 -37.6 14.5 23.6 54.2 252 73 B E H >45S+ 0 0 127 -3,-0.4 3,-1.8 3,-0.2 -2,-0.2 0.948 112.2 51.6 -72.3 -49.7 13.0 25.8 51.5 253 74 B K H 3<5S+ 0 0 108 -4,-3.0 -2,-0.2 1,-0.3 -1,-0.2 0.766 116.3 45.6 -55.2 -24.2 10.7 23.1 50.2 254 75 B N T ><5S- 0 0 27 -4,-1.4 3,-1.5 -5,-0.2 -1,-0.3 -0.025 117.4-104.2-116.6 26.5 9.6 22.7 53.9 255 76 B Q T < 5S- 0 0 158 -3,-1.8 -3,-0.2 1,-0.3 -2,-0.1 0.834 74.8 -59.8 60.4 37.4 9.0 26.3 55.0 256 77 B F T 3 - 0 0 61 -3,-1.5 4,-2.5 -6,-0.5 5,-0.2 -0.849 37.1-164.9 -95.9 103.5 11.1 23.7 59.2 258 79 B P H > S+ 0 0 1 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.788 83.9 58.9 -64.7 -26.2 14.2 21.6 60.0 259 80 B I H > S+ 0 0 43 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.988 113.8 34.9 -66.0 -54.4 12.2 18.6 61.2 260 81 B N H > S+ 0 0 63 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.858 116.4 55.8 -67.3 -35.0 10.3 18.1 58.0 261 82 B A H X S+ 0 0 0 -4,-2.5 4,-2.4 -7,-0.2 -1,-0.2 0.915 111.6 44.1 -62.1 -42.3 13.2 19.1 55.9 262 83 B L H X S+ 0 0 0 -4,-2.2 4,-3.3 -5,-0.2 5,-0.3 0.930 112.3 51.2 -70.8 -43.0 15.3 16.4 57.6 263 84 B R H X S+ 0 0 56 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.926 113.8 44.9 -59.2 -45.8 12.6 13.8 57.3 264 85 B E H X S+ 0 0 48 -4,-2.7 4,-2.4 2,-0.2 5,-0.3 0.958 113.5 49.9 -63.8 -49.0 12.1 14.5 53.7 265 86 B Y H X S+ 0 0 3 -4,-2.4 4,-2.0 -5,-0.2 -2,-0.2 0.942 115.6 42.2 -54.1 -49.8 15.9 14.6 53.0 266 87 B L H X S+ 0 0 0 -4,-3.3 4,-2.6 1,-0.2 -1,-0.2 0.862 112.6 53.6 -68.6 -32.9 16.5 11.3 54.8 267 88 B T H X S+ 0 0 58 -4,-2.2 4,-2.2 -5,-0.3 -1,-0.2 0.889 111.7 45.1 -69.2 -37.5 13.5 9.6 53.3 268 89 B V H X S+ 0 0 58 -4,-2.4 4,-1.7 -5,-0.2 -1,-0.2 0.852 113.4 50.6 -72.0 -34.2 14.6 10.5 49.8 269 90 B F H X S+ 0 0 11 -4,-2.0 4,-2.0 -5,-0.3 -2,-0.2 0.961 113.3 46.1 -67.1 -46.1 18.1 9.4 50.6 270 91 B T H X S+ 0 0 37 -4,-2.6 4,-2.4 2,-0.2 5,-0.2 0.934 110.1 50.6 -61.6 -54.8 16.9 6.0 51.9 271 92 B T H X S+ 0 0 61 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.942 111.6 51.2 -49.3 -49.0 14.5 5.2 49.1 272 93 B H H X S+ 0 0 37 -4,-1.7 4,-1.0 1,-0.2 -1,-0.2 0.881 110.1 46.3 -59.7 -44.1 17.3 5.9 46.6 273 94 B I H < S+ 0 0 10 -4,-2.0 -1,-0.2 1,-0.2 7,-0.2 0.829 110.2 55.1 -70.8 -31.0 19.9 3.6 48.3 274 95 B K H < S+ 0 0 172 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.888 113.5 40.9 -70.1 -35.8 17.3 0.9 48.6 275 96 B E H < S+ 0 0 124 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.660 124.8 37.4 -81.3 -13.9 16.6 1.1 44.9 276 97 B N >X + 0 0 11 -4,-1.0 3,-1.9 -5,-0.2 4,-0.6 -0.382 66.3 156.3-135.6 51.5 20.3 1.5 44.0 277 98 B P H 3> + 0 0 67 0, 0.0 4,-2.1 0, 0.0 3,-0.4 0.774 64.9 70.6 -58.8 -28.4 22.1 -0.7 46.4 278 99 B E H 3> S+ 0 0 36 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.788 90.1 63.4 -60.1 -29.6 25.2 -1.2 44.1 279 100 B I H <> S+ 0 0 0 -3,-1.9 4,-3.0 2,-0.2 -1,-0.2 0.962 106.3 42.6 -57.4 -53.2 26.0 2.4 44.8 280 101 B G H X S+ 0 0 3 -4,-0.6 4,-3.4 -3,-0.4 -2,-0.2 0.934 117.3 45.4 -56.7 -49.6 26.6 1.7 48.5 281 102 B T H X S+ 0 0 28 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.874 116.3 45.8 -70.8 -32.8 28.4 -1.5 48.0 282 103 B L H X S+ 0 0 4 -4,-2.7 4,-1.9 -5,-0.2 -1,-0.2 0.904 113.1 49.5 -76.2 -38.4 30.6 -0.1 45.3 283 104 B A H X S+ 0 0 0 -4,-3.0 4,-3.0 -5,-0.3 3,-0.4 0.975 108.7 54.6 -59.9 -50.4 31.3 3.0 47.3 284 105 B Y H X S+ 0 0 5 -4,-3.4 4,-3.2 1,-0.3 5,-0.3 0.923 108.3 48.0 -45.5 -54.5 32.1 0.8 50.2 285 106 B E H X S+ 0 0 65 -4,-2.1 4,-2.8 1,-0.2 -1,-0.3 0.872 113.0 48.0 -58.5 -36.4 34.7 -1.1 48.2 286 107 B E H X>S+ 0 0 1 -4,-1.9 4,-3.2 -3,-0.4 5,-0.7 0.899 113.6 46.5 -73.9 -38.3 36.3 2.2 46.9 287 108 B I H <5S+ 0 0 2 -4,-3.0 -2,-0.2 2,-0.2 -1,-0.2 0.960 116.0 46.0 -66.0 -49.4 36.4 3.7 50.3 288 109 B I H <5S+ 0 0 26 -4,-3.2 -2,-0.2 -5,-0.3 -1,-0.2 0.921 122.9 34.9 -57.8 -47.5 37.9 0.5 51.8 289 110 B K H <5S- 0 0 99 -4,-2.8 -1,-0.2 -5,-0.3 -2,-0.2 0.787 95.5-146.6 -83.2 -26.5 40.4 0.1 48.9 290 111 B E T <5 + 0 0 114 -4,-3.2 -3,-0.2 -5,-0.2 -4,-0.1 0.985 31.0 175.7 60.6 60.6 41.0 3.9 48.5 291 112 B S >>< - 0 0 17 -5,-0.7 4,-0.6 1,-0.1 3,-0.5 -0.316 49.8-104.6 -88.7 176.8 41.5 3.9 44.8 292 113 B A H >> S+ 0 0 79 1,-0.2 4,-0.9 2,-0.2 3,-0.6 0.869 120.3 67.4 -62.5 -34.6 42.1 6.8 42.4 293 114 B R H 3> S+ 0 0 25 1,-0.2 4,-1.8 2,-0.2 3,-0.3 0.787 86.1 68.3 -58.3 -33.3 38.5 6.1 41.4 294 115 B L H <> S+ 0 0 11 -3,-0.5 4,-3.6 1,-0.2 3,-0.4 0.934 96.0 51.5 -51.3 -53.8 37.2 7.2 44.8 295 116 B E H << S+ 0 0 133 -4,-0.6 -1,-0.2 -3,-0.6 -2,-0.2 0.842 110.5 49.8 -59.6 -34.1 38.0 10.8 44.3 296 117 B K H < S+ 0 0 127 -4,-0.9 -1,-0.3 -3,-0.3 -2,-0.2 0.838 119.2 36.5 -72.1 -33.8 36.2 10.9 41.0 297 118 B I H >< S+ 0 0 0 -4,-1.8 3,-2.1 -3,-0.4 -2,-0.2 0.716 95.7 83.0 -93.9 -21.1 33.1 9.2 42.4 298 119 B K T >X S+ 0 0 56 -4,-3.6 4,-1.5 1,-0.3 3,-1.0 0.916 79.5 69.9 -44.4 -50.0 33.2 11.0 45.8 299 120 B P H 3> S+ 0 0 56 0, 0.0 4,-0.9 0, 0.0 2,-0.4 0.757 83.8 70.6 -40.0 -34.8 31.5 14.0 44.1 300 121 B Y H <4 S+ 0 0 65 -3,-2.1 -55,-1.6 1,-0.2 -2,-0.1 -0.038 111.5 28.5 -85.6 35.3 28.2 12.0 43.8 301 122 B F H <> S+ 0 0 8 -3,-1.0 4,-1.7 -2,-0.4 3,-0.4 0.188 100.4 84.7-145.7 -38.2 27.7 12.2 47.6 302 123 B I H X S+ 0 0 68 -4,-1.5 4,-0.8 1,-0.2 -2,-0.1 0.812 92.3 47.9 -29.9 -54.0 29.5 15.5 48.4 303 124 B G H >X S+ 0 0 41 -4,-0.9 4,-1.1 1,-0.2 3,-1.0 0.926 106.1 56.4 -66.1 -46.7 26.4 17.6 47.5 304 125 B S H >> S+ 0 0 2 -3,-0.4 4,-2.1 1,-0.2 3,-0.6 0.903 106.5 50.8 -50.6 -44.6 24.0 15.5 49.6 305 126 B F H 3X S+ 0 0 22 -4,-1.7 4,-1.4 1,-0.2 -1,-0.2 0.644 100.7 58.6 -80.7 -15.9 26.0 16.0 52.8 306 127 B E H S+ 0 0 0 -4,-2.5 5,-1.9 1,-0.2 6,-1.6 0.823 107.1 54.4 -69.9 -34.0 17.4 22.7 63.6 316 137 B E H ><5S+ 0 0 79 -4,-1.9 3,-1.3 -5,-0.2 -1,-0.2 0.955 109.5 46.7 -60.6 -49.0 19.9 23.3 66.3 317 138 B K H 3<5S+ 0 0 162 -4,-1.8 -2,-0.2 1,-0.3 -1,-0.2 0.762 110.7 51.4 -70.8 -22.1 19.4 27.0 66.2 318 139 B Q T 3<5S- 0 0 80 -4,-1.6 -1,-0.3 -5,-0.1 -2,-0.2 0.448 115.2-122.4 -89.1 -0.6 15.6 26.6 66.2 319 140 B G T < 5S+ 0 0 41 -3,-1.3 -136,-0.2 -4,-0.3 -3,-0.2 0.611 83.9 110.7 73.3 16.5 16.1 24.4 69.2 320 141 B V S - 0 0 25 1,-0.1 4,-2.3 -153,-0.1 -1,-0.2 -0.958 55.1-159.2-134.3 122.6 28.8 17.9 67.5 326 147 B I H > S+ 0 0 26 -2,-0.4 4,-2.2 2,-0.2 5,-0.2 0.889 99.5 48.1 -59.7 -41.4 27.6 18.7 64.0 327 148 B N H > S+ 0 0 68 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.927 111.5 48.1 -71.9 -42.0 30.4 16.8 62.4 328 149 B H H > S+ 0 0 2 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.877 113.4 49.9 -61.8 -38.1 30.0 13.7 64.6 329 150 B T H X S+ 0 0 3 -4,-2.3 4,-2.1 2,-0.2 5,-0.2 0.901 109.3 49.7 -66.9 -40.4 26.2 13.8 63.8 330 151 B I H X S+ 0 0 14 -4,-2.2 4,-2.9 1,-0.2 5,-0.3 0.945 110.2 55.4 -62.3 -40.4 26.8 14.1 60.1 331 152 B H H X S+ 0 0 4 -4,-2.2 4,-1.7 1,-0.2 -2,-0.2 0.906 111.4 37.9 -60.5 -49.8 29.1 11.2 60.4 332 153 B W H X S+ 0 0 12 -4,-1.9 4,-1.8 1,-0.2 -1,-0.2 0.834 115.9 54.2 -79.7 -27.7 26.9 8.6 62.0 333 154 B I H X S+ 0 0 0 -4,-2.1 4,-2.2 -5,-0.2 5,-0.2 0.956 111.9 41.9 -65.2 -48.4 23.8 9.7 60.0 334 155 B T H X S+ 0 0 0 -4,-2.9 4,-2.1 -5,-0.2 -2,-0.2 0.910 112.7 57.1 -68.5 -35.1 25.4 9.3 56.6 335 156 B S H X S+ 0 0 0 -4,-1.7 4,-0.6 -5,-0.3 -1,-0.2 0.900 112.6 38.1 -56.9 -46.8 27.0 6.1 57.8 336 157 B I H < S+ 0 0 0 -4,-1.8 7,-0.2 1,-0.2 -1,-0.2 0.820 117.5 49.6 -82.3 -25.5 23.7 4.4 58.7 337 158 B V H < S+ 0 0 1 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.832 109.9 50.4 -77.6 -30.2 21.7 5.9 55.8 338 159 B L H < S+ 0 0 2 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.626 119.8 35.8 -83.4 -14.8 24.2 4.8 53.1 339 160 B F >< + 0 0 4 -4,-0.6 3,-1.5 -5,-0.2 4,-0.5 -0.521 67.1 163.6-136.9 64.8 24.4 1.2 54.4 340 161 B P T 3> + 0 0 48 0, 0.0 4,-0.7 0, 0.0 3,-0.3 0.628 66.5 71.3 -67.6 -14.8 20.9 0.3 55.6 341 162 B K H >> S+ 0 0 91 1,-0.2 4,-1.7 2,-0.2 3,-0.8 0.848 87.2 68.0 -68.2 -30.5 21.5 -3.4 55.6 342 163 B F H <> S+ 0 0 0 -3,-1.5 4,-2.8 1,-0.3 5,-0.3 0.891 92.3 60.1 -52.3 -41.4 23.7 -2.8 58.7 343 164 B K H 3> S+ 0 0 29 -4,-0.5 4,-2.6 -3,-0.3 -1,-0.3 0.888 103.7 48.9 -52.9 -43.2 20.6 -1.9 60.6 344 165 B K H - 0 0 42 -2,-0.3 4,-3.0 1,-0.1 5,-0.2 -0.137 25.2-129.6 -65.0 145.2 12.1 2.9 61.2 353 176 B L H > S+ 0 0 22 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.909 109.5 43.1 -55.9 -47.3 15.5 4.2 60.2 354 177 B V H > S+ 0 0 25 2,-0.2 4,-2.4 1,-0.2 3,-0.4 0.982 115.9 48.7 -66.0 -54.0 14.2 7.7 59.4 355 178 B S H > S+ 0 0 26 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.862 110.3 52.4 -46.7 -44.9 12.0 7.8 62.5 356 179 B R H X S+ 0 0 10 -4,-3.0 4,-1.4 1,-0.2 -1,-0.2 0.883 108.6 49.4 -67.7 -33.7 14.9 6.6 64.7 357 180 B I H X S+ 0 0 0 -4,-1.7 4,-1.8 -3,-0.4 -1,-0.2 0.926 112.3 47.6 -71.9 -39.4 17.2 9.3 63.4 358 181 B I H X S+ 0 0 2 -4,-2.4 4,-2.8 1,-0.3 5,-0.4 0.959 111.9 49.0 -69.6 -45.1 14.7 12.0 64.0 359 182 B S H X S+ 0 0 5 -4,-2.6 4,-1.5 1,-0.2 -1,-0.3 0.830 105.4 59.5 -60.4 -28.8 13.9 10.8 67.5 360 183 B A H < S+ 0 0 30 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.967 114.7 35.5 -68.5 -38.8 17.6 10.7 68.2 361 184 B L H < S+ 0 0 3 -4,-1.8 -39,-2.6 1,-0.2 -2,-0.2 0.827 125.5 37.0 -79.4 -39.4 18.0 14.4 67.5 362 185 B T H < S- 0 0 10 -4,-2.8 -1,-0.2 -41,-0.2 -3,-0.2 0.650 92.8-141.6 -85.6 -16.0 14.7 15.7 68.8 363 186 B D < + 0 0 43 -4,-1.5 -3,-0.1 -5,-0.4 -4,-0.1 0.821 66.8 108.3 51.9 35.2 14.7 13.3 71.7 364 187 B K S S- 0 0 121 -6,-0.3 -1,-0.2 -5,-0.2 -2,-0.2 -0.946 84.2 -82.7-135.1 157.9 11.0 13.0 71.1 365 188 B P - 0 0 97 0, 0.0 2,-0.5 0, 0.0 -10,-0.0 -0.352 53.6-112.6 -54.8 133.7 8.5 10.5 69.8 366 189 B N 0 0 57 -11,-0.1 -11,-0.1 -3,-0.0 -10,-0.0 -0.609 360.0 360.0 -71.1 121.4 8.5 10.7 66.0 367 190 B I 0 0 183 -2,-0.5 -3,-0.0 -12,-0.0 0, 0.0 -0.791 360.0 360.0-151.7 360.0 5.1 12.1 64.9