==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION REGULATOR 15-AUG-08 3E6M . COMPND 2 MOLECULE: MARR FAMILY TRANSCRIPTIONAL REGULATOR; . SOURCE 2 ORGANISM_SCIENTIFIC: SILICIBACTER POMEROYI; . AUTHOR K.TAN,L.VOLKART,L.FREEMAN,A.JOACHIMIAK,MIDWEST CENTER FOR . 1176 15 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 55053.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 886 75.3 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 . 67 5.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 31 2.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 112 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 636 54.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 25 2.1 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 7 1 0 8 2 2 1 2 2 12 3 0 3 2 1 6 1 3 2 2 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 . 2 4 5 0 4 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 8 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 8 A P 0 0 176 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 77.4 39.1 -6.0 -0.3 2 9 A K - 0 0 189 1,-0.1 2,-0.2 0, 0.0 0, 0.0 0.163 360.0 -93.7 -42.0 152.1 36.5 -6.0 2.6 3 10 A P - 0 0 67 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.493 46.7-172.2 -69.2 134.3 35.7 -2.6 4.2 4 11 A S - 0 0 65 2,-0.3 4,-0.1 -2,-0.2 256,-0.1 -0.871 36.9 -46.6-122.4 158.5 37.9 -1.8 7.2 5 12 A F S S+ 0 0 5 -2,-0.3 259,-0.1 255,-0.2 2,-0.1 -0.436 118.7 51.7 -60.4 135.9 37.6 1.1 9.7 6 13 A P S S- 0 0 43 0, 0.0 -2,-0.3 0, 0.0 2,-0.1 0.589 90.7-146.4 -77.8 145.1 37.3 3.9 8.7 7 14 A Y - 0 0 11 189,-0.1 -2,-0.1 -4,-0.1 194,-0.1 -0.470 5.5-152.0 -82.1 152.0 34.3 3.0 6.5 8 15 A G + 0 0 56 -2,-0.1 -1,-0.1 -4,-0.1 192,-0.1 0.371 68.8 37.4-112.4 3.0 33.8 4.9 3.3 9 16 A S S > S- 0 0 41 1,-0.0 4,-1.3 193,-0.0 3,-0.5 -0.947 79.4-112.7-141.7 164.7 30.1 4.9 2.6 10 17 A P H > S+ 0 0 54 0, 0.0 4,-0.7 0, 0.0 191,-0.1 0.743 117.7 57.1 -61.6 -27.0 26.8 5.1 4.6 11 18 A G H 4 S+ 0 0 45 2,-0.2 190,-0.0 189,-0.2 189,-0.0 0.703 101.5 52.8 -81.3 -25.2 26.2 1.5 3.6 12 19 A E H >4 S+ 0 0 67 -3,-0.5 3,-1.6 2,-0.2 -1,-0.2 0.865 107.0 51.0 -76.1 -43.8 29.5 0.1 5.1 13 20 A L H >< S+ 0 0 0 -4,-1.3 3,-1.6 1,-0.3 6,-0.2 0.814 100.6 67.7 -56.0 -35.2 28.9 1.6 8.5 14 21 A N T 3< S+ 0 0 70 -4,-0.7 -1,-0.3 1,-0.3 -2,-0.2 0.486 103.2 43.5 -66.0 -3.3 25.5 -0.1 8.2 15 22 A S T < S+ 0 0 55 -3,-1.6 2,-0.8 271,-0.0 -1,-0.3 0.262 86.5 104.0-124.7 6.3 27.3 -3.4 8.5 16 23 A F X> - 0 0 10 -3,-1.6 3,-2.1 1,-0.2 4,-1.6 -0.829 63.9-149.1 -95.2 106.1 29.7 -2.5 11.3 17 24 A L H 3> S+ 0 0 0 -2,-0.8 4,-3.0 1,-0.3 5,-0.2 0.795 91.0 57.0 -49.0 -45.4 28.3 -4.2 14.4 18 25 A P H 3> S+ 0 0 5 0, 0.0 4,-0.8 0, 0.0 -1,-0.3 0.736 109.7 46.3 -60.1 -26.3 29.5 -1.6 16.9 19 26 A Y H <> S+ 0 0 21 -3,-2.1 4,-1.9 -6,-0.2 -2,-0.2 0.835 113.9 47.5 -82.7 -37.0 27.7 1.2 15.1 20 27 A L H X S+ 0 0 0 -4,-1.6 4,-2.0 1,-0.2 5,-0.3 0.929 106.6 57.9 -68.0 -46.8 24.5 -0.8 14.8 21 28 A L H X S+ 0 0 1 -4,-3.0 4,-1.5 1,-0.2 -1,-0.2 0.893 110.4 43.9 -50.1 -44.2 24.5 -1.8 18.4 22 29 A T H X S+ 0 0 18 -4,-0.8 4,-2.9 2,-0.2 5,-0.3 0.905 109.2 51.3 -77.1 -42.8 24.6 1.8 19.6 23 30 A R H X S+ 0 0 7 -4,-1.9 4,-1.2 1,-0.2 -1,-0.2 0.890 116.5 44.7 -58.2 -37.6 21.9 3.4 17.3 24 31 A I H X S+ 0 0 1 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.813 114.1 47.9 -76.6 -32.2 19.6 0.6 18.3 25 32 A T H X S+ 0 0 18 -4,-1.5 4,-2.3 -5,-0.3 -2,-0.2 0.818 109.8 51.3 -78.1 -36.8 20.4 0.9 22.0 26 33 A H H X S+ 0 0 72 -4,-2.9 4,-1.1 1,-0.2 -2,-0.2 0.893 113.5 49.5 -63.8 -34.4 20.0 4.6 22.1 27 34 A I H X S+ 0 0 20 -4,-1.2 4,-2.0 -5,-0.3 -2,-0.2 0.919 112.7 42.7 -71.4 -46.7 16.7 3.9 20.5 28 35 A W H X S+ 0 0 26 -4,-2.3 4,-1.4 1,-0.2 5,-0.2 0.973 117.8 46.5 -62.6 -52.1 15.5 1.2 22.9 29 36 A S H X S+ 0 0 28 -4,-2.3 4,-1.0 1,-0.2 -1,-0.2 0.698 112.6 51.9 -65.2 -21.6 16.7 3.2 25.9 30 37 A S H X S+ 0 0 50 -4,-1.1 4,-1.1 -5,-0.2 -1,-0.2 0.937 110.6 42.8 -80.6 -49.3 15.1 6.4 24.6 31 38 A E H < S+ 0 0 71 -4,-2.0 4,-0.2 1,-0.2 -2,-0.2 0.704 117.4 49.6 -69.5 -20.5 11.6 5.2 23.9 32 39 A L H X S+ 0 0 2 -4,-1.4 4,-2.2 -5,-0.2 3,-0.3 0.820 103.2 55.1 -90.7 -33.8 11.5 3.3 27.2 33 40 A N H X S+ 0 0 65 -4,-1.0 4,-0.8 1,-0.2 -2,-0.2 0.846 113.5 44.2 -69.0 -29.9 12.8 6.0 29.6 34 41 A Q H < S+ 0 0 151 -4,-1.1 -1,-0.2 2,-0.2 -2,-0.2 0.493 115.3 46.0 -96.7 -5.1 10.0 8.3 28.4 35 42 A A H > S+ 0 0 22 -3,-0.3 4,-0.5 -4,-0.2 3,-0.3 0.626 116.5 46.9 -96.3 -24.8 7.3 5.6 28.5 36 43 A L H X>S+ 0 0 0 -4,-2.2 4,-1.9 1,-0.2 5,-0.8 0.721 92.3 80.7 -78.4 -25.7 8.6 4.6 31.9 37 44 A A H <5S+ 0 0 62 -4,-0.8 -1,-0.2 1,-0.2 -3,-0.1 0.835 88.2 58.2 -50.0 -34.6 8.6 8.3 32.9 38 45 A S H 45S+ 0 0 99 -3,-0.3 -1,-0.2 1,-0.2 -2,-0.2 0.979 113.6 33.1 -58.1 -61.7 4.9 7.8 33.5 39 46 A E H <5S- 0 0 81 -4,-0.5 -1,-0.2 2,-0.1 -2,-0.2 0.668 99.8-144.9 -67.4 -14.1 5.3 5.0 36.1 40 47 A K T <5 + 0 0 165 -4,-1.9 -3,-0.2 1,-0.2 -2,-0.1 0.883 56.6 136.3 35.5 47.1 8.5 6.8 37.1 41 48 A L < - 0 0 5 -5,-0.8 -1,-0.2 67,-0.0 -2,-0.1 -0.823 55.3-146.0-104.7 80.7 10.1 3.5 37.8 42 49 A P > - 0 0 41 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.091 22.2-103.2 -50.2 155.9 13.1 4.8 36.1 43 50 A T H > S+ 0 0 14 2,-0.2 4,-3.5 1,-0.2 5,-0.3 0.878 123.5 61.0 -43.4 -45.2 15.5 2.7 34.0 44 51 A P H > S+ 0 0 51 0, 0.0 4,-1.5 0, 0.0 -1,-0.2 0.977 112.3 34.5 -45.5 -67.7 17.8 2.9 37.0 45 52 A K H > S+ 0 0 33 1,-0.2 4,-1.2 2,-0.2 -2,-0.2 0.762 119.2 55.0 -62.6 -25.2 15.3 1.1 39.2 46 53 A L H X S+ 0 0 18 -4,-2.7 4,-2.3 2,-0.2 -1,-0.2 0.938 104.3 50.8 -72.8 -47.3 14.1 -1.0 36.3 47 54 A R H X S+ 0 0 69 -4,-3.5 4,-1.8 1,-0.2 -2,-0.2 0.910 110.8 48.8 -56.4 -47.8 17.5 -2.5 35.3 48 55 A L H X S+ 0 0 2 -4,-1.5 4,-1.8 -5,-0.3 -1,-0.2 0.839 111.4 46.2 -67.8 -40.1 18.3 -3.6 38.9 49 56 A L H X S+ 0 0 0 -4,-1.2 4,-2.6 2,-0.2 5,-0.2 0.938 110.4 56.4 -66.5 -44.0 15.1 -5.3 39.7 50 57 A S H X S+ 0 0 24 -4,-2.3 4,-1.1 1,-0.2 -2,-0.2 0.865 108.6 46.4 -52.2 -42.9 15.3 -7.0 36.3 51 58 A S H X S+ 0 0 6 -4,-1.8 4,-3.1 2,-0.2 5,-0.4 0.894 113.5 46.3 -70.1 -45.3 18.7 -8.5 37.1 52 59 A L H X S+ 0 0 5 -4,-1.8 4,-1.5 1,-0.2 49,-0.2 0.803 109.9 55.9 -65.3 -32.6 17.8 -9.7 40.6 53 60 A S H < S+ 0 0 38 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.845 116.2 38.1 -65.1 -32.8 14.7 -11.2 39.1 54 61 A A H < S+ 0 0 5 -4,-1.1 -2,-0.2 -5,-0.2 -3,-0.2 0.858 129.5 26.4 -86.8 -42.2 17.0 -13.1 36.6 55 62 A Y H < S- 0 0 82 -4,-3.1 2,-1.1 100,-0.2 -3,-0.2 0.634 92.4-143.3-103.2 -15.9 19.9 -14.1 38.8 56 63 A G S < S+ 0 0 37 -4,-1.5 45,-0.5 -5,-0.4 2,-0.5 -0.667 73.9 24.5 99.4 -85.2 18.2 -14.2 42.2 57 64 A E E S+A 100 0A 46 -2,-1.1 2,-0.3 43,-0.1 43,-0.2 -0.967 76.5 177.0-123.4 114.2 20.6 -12.9 44.8 58 65 A L E -A 99 0A 7 41,-1.5 41,-3.5 -2,-0.5 2,-0.1 -0.865 28.9-122.8-122.2 151.1 23.3 -10.6 43.6 59 66 A T E > -A 98 0A 18 -2,-0.3 4,-2.4 39,-0.3 39,-0.2 -0.400 35.3-112.4 -78.3 165.9 26.1 -8.5 45.1 60 67 A V H > S+ 0 0 2 37,-0.7 4,-2.2 1,-0.2 5,-0.2 0.876 119.8 54.3 -74.1 -32.5 26.1 -4.8 44.4 61 68 A G H > S+ 0 0 10 1,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.902 110.8 47.1 -61.4 -42.0 29.2 -5.2 42.2 62 69 A Q H > S+ 0 0 93 2,-0.2 4,-2.1 1,-0.2 5,-0.4 0.877 109.2 53.0 -66.0 -42.6 27.4 -7.8 40.2 63 70 A L H X S+ 0 0 1 -4,-2.4 4,-2.4 1,-0.2 6,-0.2 0.904 106.4 52.9 -59.8 -42.2 24.2 -5.7 39.9 64 71 A A H <>S+ 0 0 7 -4,-2.2 5,-2.7 2,-0.2 -1,-0.2 0.758 112.7 48.5 -65.1 -24.9 26.3 -2.8 38.5 65 72 A T H ><5S+ 0 0 75 -4,-0.8 3,-2.5 -3,-0.3 -2,-0.2 0.979 116.4 35.0 -77.6 -71.1 27.6 -5.2 36.0 66 73 A L H 3<5S+ 0 0 17 -4,-2.1 -2,-0.2 1,-0.3 -3,-0.2 0.866 120.7 52.9 -48.9 -41.6 24.5 -7.0 34.6 67 74 A G T 3<5S- 0 0 1 -4,-2.4 -1,-0.3 -5,-0.4 -2,-0.2 0.387 109.1-125.0 -79.8 2.4 22.6 -3.7 35.0 68 75 A V T < 5 + 0 0 29 -3,-2.5 2,-0.3 1,-0.2 -3,-0.2 0.858 65.7 134.6 57.9 39.6 25.3 -1.8 33.0 69 76 A X < - 0 0 32 -5,-2.7 -1,-0.2 -6,-0.2 -2,-0.1 -0.840 62.5-100.3-125.1 157.3 25.7 0.7 35.9 70 77 A E > - 0 0 58 -2,-0.3 4,-2.7 1,-0.1 5,-0.2 -0.390 36.7-120.2 -69.0 149.3 28.5 2.4 37.9 71 78 A Q H > S+ 0 0 20 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.892 110.7 44.2 -60.5 -46.8 29.2 0.8 41.3 72 79 A S H > S+ 0 0 4 406,-1.5 4,-2.1 2,-0.2 -1,-0.2 0.955 114.5 48.8 -64.4 -49.6 28.4 3.9 43.3 73 80 A T H > S+ 0 0 33 405,-0.4 4,-3.1 2,-0.2 5,-0.3 0.943 109.2 53.3 -58.4 -51.8 25.2 4.7 41.4 74 81 A T H X S+ 0 0 0 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.967 108.3 49.9 -39.3 -64.2 24.0 1.1 41.7 75 82 A S H X S+ 0 0 19 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.838 111.9 48.8 -53.8 -35.4 24.5 1.2 45.5 76 83 A R H X S+ 0 0 96 -4,-2.1 4,-1.6 1,-0.2 3,-0.5 0.983 112.5 45.5 -66.7 -56.0 22.5 4.5 45.6 77 84 A T H X S+ 0 0 11 -4,-3.1 4,-1.7 1,-0.2 -2,-0.2 0.734 112.6 56.4 -59.0 -20.0 19.7 3.1 43.5 78 85 A V H X S+ 0 0 3 -4,-2.1 4,-1.6 -5,-0.3 -1,-0.2 0.865 102.6 50.7 -78.5 -38.8 19.9 -0.0 45.8 79 86 A D H X S+ 0 0 59 -4,-2.0 4,-2.4 -3,-0.5 -2,-0.2 0.776 110.8 54.0 -69.9 -25.8 19.4 1.8 49.1 80 87 A Q H X S+ 0 0 75 -4,-1.6 4,-3.4 2,-0.2 5,-0.4 0.993 107.0 45.9 -63.9 -69.9 16.4 3.4 47.4 81 88 A L H <>S+ 0 0 4 -4,-1.7 5,-2.9 1,-0.2 6,-1.9 0.754 115.4 51.2 -49.1 -28.5 14.7 0.1 46.3 82 89 A V H ><5S+ 0 0 22 -4,-1.6 3,-2.0 4,-0.2 -1,-0.2 0.977 114.2 40.4 -70.0 -58.9 15.4 -1.1 49.8 83 90 A D H 3<5S+ 0 0 76 -4,-2.4 523,-3.0 1,-0.3 524,-0.4 0.785 113.9 54.3 -63.6 -25.0 13.9 1.9 51.6 84 91 A E T 3<5S- 0 0 84 -4,-3.4 -1,-0.3 521,-0.2 -2,-0.2 0.502 118.2-116.9 -83.2 -3.7 11.0 1.9 49.1 85 92 A G T < 5S+ 0 0 6 -3,-2.0 19,-0.3 -5,-0.4 20,-0.3 0.613 85.3 113.7 84.3 15.0 10.5 -1.8 50.0 86 93 A L S - 0 0 28 -16,-1.4 4,-2.0 -2,-0.3 3,-0.2 -0.655 31.4-105.0 -99.2 166.4 11.1 -8.8 47.9 103 112 A R H > S+ 0 0 136 1,-0.2 4,-1.7 -2,-0.2 5,-0.2 0.864 124.4 57.5 -58.0 -36.3 7.5 -9.7 47.1 104 113 A K H > S+ 0 0 70 -19,-0.3 4,-1.9 1,-0.2 -1,-0.2 0.924 107.2 49.4 -54.8 -45.7 6.8 -6.0 46.7 105 114 A G H > S+ 0 0 0 -20,-0.3 4,-2.1 -19,-0.2 -2,-0.2 0.854 105.0 55.4 -68.1 -39.7 9.5 -5.9 44.0 106 115 A K H X S+ 0 0 140 -4,-2.0 4,-2.9 2,-0.2 5,-0.2 0.979 109.8 46.3 -50.9 -60.8 8.2 -8.9 42.1 107 116 A K H X S+ 0 0 142 -4,-1.7 4,-1.8 1,-0.2 -2,-0.2 0.867 108.8 55.3 -54.1 -44.4 4.8 -7.3 41.6 108 117 A K H X S+ 0 0 54 -4,-1.9 4,-1.2 2,-0.2 3,-0.3 0.940 112.3 44.1 -54.3 -50.0 6.3 -3.9 40.7 109 118 A L H >X S+ 0 0 16 -4,-2.1 4,-3.1 1,-0.2 3,-1.0 0.961 109.0 56.0 -54.5 -57.5 8.2 -5.8 37.9 110 119 A A H 3< S+ 0 0 60 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.764 106.5 53.4 -47.5 -31.8 5.1 -7.8 36.9 111 120 A E H 3< S+ 0 0 96 -4,-1.8 -1,-0.3 -3,-0.3 4,-0.2 0.838 114.6 36.7 -75.7 -37.3 3.3 -4.5 36.4 112 121 A I H XX S+ 0 0 2 -4,-1.2 3,-2.4 -3,-1.0 4,-1.6 0.782 98.2 84.9 -85.3 -30.4 5.8 -2.8 34.0 113 122 A S H 3X S+ 0 0 22 -4,-3.1 4,-2.2 1,-0.3 5,-0.3 0.837 81.3 59.0 -39.1 -51.7 6.5 -6.1 32.4 114 123 A P H 3> S+ 0 0 70 0, 0.0 4,-1.5 0, 0.0 -1,-0.3 0.837 108.7 47.3 -52.2 -31.7 3.6 -5.8 29.9 115 124 A L H <> S+ 0 0 50 -3,-2.4 4,-1.8 -4,-0.2 -2,-0.2 0.928 108.5 51.9 -77.3 -45.9 5.1 -2.6 28.7 116 125 A I H >X S+ 0 0 7 -4,-1.6 4,-2.2 1,-0.2 3,-0.8 0.968 111.4 47.8 -52.3 -58.6 8.7 -3.9 28.2 117 126 A N H 3X S+ 0 0 51 -4,-2.2 4,-2.6 1,-0.3 5,-0.2 0.901 107.9 53.9 -47.4 -53.1 7.5 -6.9 26.2 118 127 A D H 3X S+ 0 0 106 -4,-1.5 4,-1.2 -5,-0.3 -1,-0.3 0.820 109.6 49.5 -57.9 -30.6 5.3 -4.8 23.9 119 128 A F H < S+ 0 0 21 -4,-2.6 3,-1.9 1,-0.2 -1,-0.2 0.790 92.0 167.9 -48.3 -31.3 12.0 -6.7 16.7 125 134 A G T 3< - 0 0 34 -4,-1.2 -1,-0.2 -5,-0.4 -2,-0.1 -0.182 64.3 -19.2 47.4-132.8 9.0 -5.8 14.4 126 135 A N T 3 S+ 0 0 166 -3,-0.1 -1,-0.2 -4,-0.1 -2,-0.1 0.140 89.9 141.9 -97.8 20.6 8.6 -8.2 11.5 127 136 A V < - 0 0 9 -3,-1.9 5,-0.1 1,-0.1 158,-0.0 -0.229 67.0 -88.2 -57.0 148.2 12.1 -9.8 11.4 128 137 A D >> - 0 0 71 1,-0.1 4,-1.8 2,-0.1 3,-1.1 -0.425 34.3-139.0 -55.4 124.0 12.2 -13.5 10.6 129 138 A P H >> S+ 0 0 99 0, 0.0 4,-0.9 0, 0.0 3,-0.7 0.948 101.6 48.8 -46.9 -57.6 11.8 -15.3 13.9 130 139 A D H 3> S+ 0 0 124 1,-0.3 4,-0.6 2,-0.2 -2,-0.1 0.547 113.1 48.2 -71.0 -5.8 14.5 -18.0 13.1 131 140 A K H <> S+ 0 0 58 -3,-1.1 4,-2.3 2,-0.2 -1,-0.3 0.627 106.3 56.0 -98.7 -23.7 16.9 -15.2 12.0 132 141 A L H < S+ 0 0 170 -4,-1.0 3,-1.0 -3,-0.4 -2,-0.2 0.900 109.9 45.3 -70.1 -43.7 30.5 -14.4 26.4 145 154 A G H 3< S+ 0 0 69 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.538 111.2 52.8 -79.9 -7.3 33.8 -13.8 24.6 146 155 A K T 3< 0 0 29 -4,-0.6 -1,-0.2 -5,-0.2 -2,-0.1 0.120 360.0 360.0-115.6 18.8 34.0 -10.2 25.7 147 156 A T < 0 0 117 -3,-1.0 -3,-0.2 -5,-0.0 -2,-0.2 0.002 360.0 360.0 158.8 360.0 33.5 -11.0 29.4 148 !* 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 0.0 149 10 B P 0 0 180 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 140.5 7.5 -17.6 25.3 150 11 B S + 0 0 55 3,-0.0 12,-0.0 8,-0.0 8,-0.0 0.626 360.0 125.9-156.3 -12.6 9.7 -15.9 27.8 151 12 B F + 0 0 28 1,-0.1 2,-0.9 2,-0.1 11,-0.0 0.758 56.0 83.6 -46.8 -57.4 9.4 -12.5 29.4 152 13 B P S S- 0 0 97 0, 0.0 2,-1.3 0, 0.0 -1,-0.1 -0.190 81.1-143.7 -52.5 93.5 9.3 -12.8 33.1 153 14 B Y + 0 0 5 -2,-0.9 -2,-0.1 1,-0.2 -98,-0.1 -0.412 47.6 144.8 -71.4 95.8 13.1 -12.8 33.2 154 15 B G + 0 0 48 -2,-1.3 -1,-0.2 -100,-0.1 -100,-0.1 0.115 59.3 52.7-112.9 14.4 13.7 -15.3 36.0 155 16 B S S > S- 0 0 42 1,-0.2 4,-2.6 -99,-0.0 3,-0.2 -0.998 73.2-130.5-150.5 147.3 16.8 -16.8 34.5 156 17 B P H > S+ 0 0 55 0, 0.0 4,-3.3 0, 0.0 5,-0.3 0.997 110.9 56.3 -53.1 -65.9 20.1 -15.8 33.1 157 18 B G H 4 S+ 0 0 53 1,-0.3 -4,-0.0 2,-0.2 -103,-0.0 0.723 112.4 43.6 -36.8 -35.2 19.6 -17.9 29.9 158 19 B E H >4 S+ 0 0 55 -3,-0.2 3,-1.3 2,-0.2 -1,-0.3 0.919 115.4 45.8 -79.8 -49.6 16.4 -16.0 29.4 159 20 B L H >< S+ 0 0 4 -4,-2.6 3,-2.6 -3,-0.3 6,-0.3 0.939 110.8 54.2 -51.9 -51.2 17.8 -12.5 30.1 160 21 B N T 3< S+ 0 0 41 -4,-3.3 -1,-0.3 1,-0.3 -2,-0.2 0.408 107.1 52.2 -74.4 5.5 20.8 -13.2 28.0 161 22 B S T < S+ 0 0 59 -3,-1.3 2,-0.7 -5,-0.3 -1,-0.3 0.186 82.9 105.6-119.8 7.8 18.5 -14.1 25.1 162 23 B F X> - 0 0 15 -3,-2.6 4,-2.1 1,-0.2 3,-2.0 -0.841 67.7-146.3 -91.3 111.5 16.7 -10.8 25.5 163 24 B L H 3> S+ 0 0 0 -2,-0.7 4,-3.3 1,-0.3 5,-0.2 0.849 95.9 51.7 -51.7 -44.7 17.9 -8.7 22.6 164 25 B P H 3> S+ 0 0 4 0, 0.0 4,-0.7 0, 0.0 -1,-0.3 0.683 109.3 51.6 -70.9 -14.0 17.7 -5.4 24.4 165 26 B Y H <> S+ 0 0 18 -3,-2.0 4,-2.2 -6,-0.3 -2,-0.2 0.857 114.5 41.7 -83.4 -41.6 19.8 -6.8 27.3 166 27 B L H X S+ 0 0 0 -4,-2.1 4,-3.0 -7,-0.2 5,-0.4 0.974 111.9 55.6 -62.5 -53.3 22.5 -8.1 24.9 167 28 B L H X S+ 0 0 3 -4,-3.3 4,-1.3 1,-0.2 -1,-0.2 0.791 113.3 43.0 -47.4 -35.4 22.3 -4.8 22.9 168 29 B T H X S+ 0 0 14 -4,-0.7 4,-2.0 -5,-0.2 -1,-0.2 0.893 114.2 46.4 -81.3 -47.2 23.0 -2.9 26.1 169 30 B R H X S+ 0 0 27 -4,-2.2 4,-1.7 2,-0.2 -2,-0.2 0.911 116.7 45.1 -62.8 -43.8 25.7 -5.0 27.6 170 31 B I H X S+ 0 0 2 -4,-3.0 4,-1.9 -5,-0.2 -1,-0.2 0.908 110.1 53.6 -70.7 -43.6 27.6 -5.2 24.4 171 32 B T H X S+ 0 0 19 -4,-1.3 4,-1.7 -5,-0.4 5,-0.2 0.920 109.0 50.1 -56.1 -46.0 27.3 -1.5 23.5 172 33 B H H X S+ 0 0 89 -4,-2.0 4,-1.7 1,-0.2 5,-0.3 0.904 107.6 53.3 -61.4 -43.6 28.7 -0.6 26.9 173 34 B I H X S+ 0 0 17 -4,-1.7 4,-1.9 1,-0.2 -1,-0.2 0.937 109.7 47.9 -56.2 -48.4 31.7 -2.9 26.5 174 35 B W H X S+ 0 0 30 -4,-1.9 4,-1.8 1,-0.2 -1,-0.2 0.884 113.8 42.1 -63.1 -48.3 32.8 -1.5 23.1 175 36 B S H X S+ 0 0 23 -4,-1.7 4,-2.4 2,-0.2 14,-0.3 0.789 113.4 52.0 -77.1 -29.1 32.7 2.2 23.8 176 37 B S H X S+ 0 0 51 -4,-1.7 4,-1.9 -5,-0.2 -1,-0.2 0.880 111.4 49.0 -72.2 -38.5 34.3 2.0 27.3 177 38 B E H X S+ 0 0 45 -4,-1.9 4,-3.2 -5,-0.3 -2,-0.2 0.906 117.5 39.3 -61.9 -45.4 37.1 -0.0 25.7 178 39 B L H X S+ 0 0 2 -4,-1.8 4,-3.5 2,-0.2 -2,-0.2 0.937 113.9 51.7 -79.6 -45.6 37.7 2.4 22.9 179 40 B N H < S+ 0 0 69 -4,-2.4 8,-0.2 2,-0.2 -1,-0.2 0.922 118.0 42.1 -45.5 -50.9 37.2 5.6 24.9 180 41 B Q H >< S+ 0 0 109 -4,-1.9 3,-2.2 -5,-0.2 4,-0.3 0.988 115.0 48.2 -61.5 -64.2 39.7 4.1 27.4 181 42 B A H >< S+ 0 0 2 -4,-3.2 188,-1.2 1,-0.3 3,-0.5 0.887 119.5 39.0 -42.9 -51.3 42.1 2.8 24.7 182 43 B L G ><>S+ 0 0 0 -4,-3.5 5,-1.3 1,-0.2 3,-1.1 0.299 81.3 113.1 -88.1 9.3 42.1 6.1 22.8 183 44 B A G X 5S+ 0 0 45 -3,-2.2 3,-0.6 1,-0.3 -1,-0.2 0.761 75.9 52.7 -58.5 -26.1 42.1 8.3 25.9 184 45 B S G < 5S+ 0 0 35 -3,-0.5 -1,-0.3 -4,-0.3 -2,-0.1 0.815 105.5 53.2 -78.3 -29.6 45.5 9.6 25.1 185 46 B E G < 5S- 0 0 25 -3,-1.1 -1,-0.2 -4,-0.1 -2,-0.2 0.379 112.0-127.1 -81.2 5.7 44.5 10.6 21.6 186 47 B K T < 5 + 0 0 142 -3,-0.6 -3,-0.2 -4,-0.3 -2,-0.1 0.928 66.3 137.1 42.1 53.1 41.7 12.5 23.4 187 48 B L < + 0 0 0 -5,-1.3 -5,-0.2 -8,-0.2 -1,-0.2 -0.676 29.3 179.9-125.9 76.4 39.2 10.7 21.2 188 49 B P > - 0 0 39 0, 0.0 4,-1.9 0, 0.0 3,-0.4 -0.368 52.1 -89.6 -66.4 156.6 36.3 9.6 23.5 189 50 B T H > S+ 0 0 22 -14,-0.3 4,-2.0 1,-0.2 5,-0.1 0.690 124.1 60.4 -52.3 -24.5 33.5 7.8 21.8 190 51 B P H > S+ 0 0 44 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.990 110.2 35.4 -61.3 -64.5 31.7 11.1 21.0 191 52 B K H > S+ 0 0 9 -3,-0.4 4,-2.1 1,-0.2 5,-0.2 0.855 121.5 50.1 -57.1 -38.7 34.3 12.9 18.9 192 53 B L H X S+ 0 0 14 -4,-1.9 4,-2.9 2,-0.2 -1,-0.2 0.880 106.5 55.0 -69.0 -40.8 35.3 9.5 17.4 193 54 B R H X S+ 0 0 69 -4,-2.0 4,-2.1 -5,-0.3 -2,-0.2 0.893 110.5 45.7 -58.5 -44.1 31.7 8.7 16.6 194 55 B L H X S+ 0 0 0 -4,-1.9 4,-3.0 2,-0.2 5,-0.2 0.968 115.0 44.7 -67.6 -53.3 31.2 11.9 14.6 195 56 B L H X S+ 0 0 0 -4,-2.1 4,-2.8 1,-0.2 5,-0.2 0.916 110.8 56.7 -55.2 -43.5 34.5 11.6 12.7 196 57 B S H X S+ 0 0 15 -4,-2.9 4,-1.7 1,-0.2 -1,-0.2 0.939 112.2 41.7 -52.0 -47.5 33.6 8.0 12.1 197 58 B S H X S+ 0 0 4 -4,-2.1 4,-3.4 2,-0.2 5,-0.4 0.831 109.3 56.4 -71.2 -38.5 30.4 9.1 10.5 198 59 B L H X S+ 0 0 4 -4,-3.0 4,-1.7 1,-0.2 -1,-0.2 0.893 108.4 50.8 -61.9 -40.0 31.9 12.0 8.6 199 60 B S H < S+ 0 0 30 -4,-2.8 -2,-0.2 -5,-0.2 -1,-0.2 0.953 117.0 38.2 -55.5 -52.7 34.2 9.4 7.1 200 61 B A H < S+ 0 0 2 -4,-1.7 -2,-0.2 -5,-0.2 -189,-0.2 0.824 129.1 30.7 -76.3 -30.7 31.4 7.1 6.1 201 62 B Y H < S- 0 0 49 -4,-3.4 -3,-0.2 -192,-0.2 -2,-0.2 0.880 85.7-147.6 -99.6 -45.4 28.9 9.8 5.1 202 63 B G S < S+ 0 0 36 -4,-1.7 46,-0.3 -5,-0.4 2,-0.3 -0.251 71.3 21.2 110.9 -47.7 30.9 12.7 3.7 203 64 B E + 0 0 66 44,-0.1 2,-0.3 -2,-0.1 44,-0.2 -0.786 65.7 169.0-164.1 112.1 29.0 15.8 4.6 204 65 B L E -C 246 0B 3 42,-1.2 42,-1.6 -2,-0.3 -2,-0.0 -0.937 33.3-116.1-130.5 145.2 26.4 16.2 7.3 205 66 B T E > -C 245 0B 23 -2,-0.3 4,-1.8 40,-0.2 3,-0.3 -0.244 44.6 -99.1 -65.8 166.6 24.6 19.1 8.9 206 67 B V H > S+ 0 0 25 38,-1.2 4,-0.8 1,-0.2 -1,-0.1 0.813 128.9 55.9 -52.9 -25.8 25.2 19.7 12.6 207 68 B G H > S+ 0 0 15 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.816 101.4 48.5 -82.0 -35.9 21.9 17.9 12.7 208 69 B Q H > S+ 0 0 58 -3,-0.3 4,-2.1 2,-0.2 5,-0.2 0.797 108.9 56.9 -74.8 -28.5 22.7 14.7 10.8 209 70 B L H X S+ 0 0 0 -4,-1.8 4,-1.4 2,-0.2 -2,-0.2 0.847 105.2 53.4 -63.4 -35.0 25.8 14.4 13.0 210 71 B A H <>S+ 0 0 6 -4,-0.8 5,-2.3 -5,-0.2 4,-0.3 0.970 112.3 41.4 -64.0 -55.1 23.4 14.5 16.0 211 72 B T H ><5S+ 0 0 55 -4,-1.9 3,-2.7 1,-0.2 -2,-0.2 0.984 117.0 46.1 -54.4 -66.0 21.2 11.6 14.8 212 73 B L H 3<5S+ 0 0 6 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.752 118.3 44.5 -48.9 -32.1 24.0 9.4 13.5 213 74 B G T 3<5S- 0 0 0 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.296 108.0-124.7 -99.6 7.0 25.9 10.1 16.8 214 75 B V T < 5 + 0 0 14 -3,-2.7 2,-0.2 -4,-0.3 -3,-0.2 0.906 68.8 118.0 48.9 53.2 22.9 9.6 19.0 215 76 B X < - 0 0 29 -5,-2.3 2,-0.4 -6,-0.1 -1,-0.2 -0.772 69.8 -88.5-135.9-177.5 23.3 13.0 20.7 216 77 B E > - 0 0 101 -2,-0.2 4,-3.1 -3,-0.1 5,-0.4 -0.779 39.6-117.1 -98.8 137.1 21.6 16.4 21.2 217 78 B Q H > S+ 0 0 114 -2,-0.4 4,-1.6 1,-0.3 -1,-0.1 0.698 115.1 49.0 -50.7 -24.0 22.2 19.1 18.6 218 79 B S H > S+ 0 0 79 2,-0.2 4,-1.8 3,-0.2 -1,-0.3 0.931 112.8 43.3 -79.6 -51.9 23.9 21.2 21.2 219 80 B T H > S+ 0 0 37 -3,-0.3 4,-2.5 2,-0.2 -2,-0.2 0.864 118.9 47.2 -60.7 -38.5 26.2 18.6 22.7 220 81 B T H X S+ 0 0 0 -4,-3.1 4,-3.8 2,-0.2 5,-0.3 0.925 107.5 54.8 -66.7 -46.8 26.9 17.6 19.1 221 82 B S H X S+ 0 0 35 -4,-1.6 4,-0.9 -5,-0.4 -2,-0.2 0.821 113.3 44.2 -56.4 -30.5 27.4 21.2 18.1 222 83 B R H X S+ 0 0 151 -4,-1.8 4,-1.4 2,-0.2 -1,-0.2 0.856 111.7 50.2 -81.2 -40.4 30.0 21.2 20.9 223 84 B T H X S+ 0 0 6 -4,-2.5 4,-1.5 1,-0.2 3,-0.3 0.915 111.7 51.4 -60.4 -42.8 31.5 17.9 19.9 224 85 B V H X S+ 0 0 1 -4,-3.8 4,-1.4 1,-0.2 -1,-0.2 0.836 106.6 54.0 -58.3 -37.4 31.8 19.3 16.4 225 86 B D H X S+ 0 0 66 -4,-0.9 4,-0.9 -5,-0.3 -1,-0.2 0.763 103.6 54.2 -78.8 -24.5 33.5 22.5 17.8 226 87 B Q H X S+ 0 0 85 -4,-1.4 4,-1.8 -3,-0.3 -1,-0.2 0.905 108.7 50.6 -66.5 -43.3 36.2 20.5 19.5 227 88 B L H <>S+ 0 0 2 -4,-1.5 5,-3.1 1,-0.2 6,-1.0 0.800 107.4 51.6 -68.2 -32.3 37.0 18.7 16.2 228 89 B V H <5S+ 0 0 49 -4,-1.4 -1,-0.2 4,-0.2 -2,-0.2 0.781 117.3 41.8 -72.0 -26.3 37.3 22.0 14.3 229 90 B D H <5S+ 0 0 144 -4,-0.9 -2,-0.2 -3,-0.2 -1,-0.2 0.645 108.4 56.5 -95.6 -19.9 39.7 23.2 17.0 230 91 B E T <5S- 0 0 65 -4,-1.8 -1,-0.2 -5,-0.1 -2,-0.2 0.527 120.1-108.9 -83.7 -6.0 41.6 20.0 17.3 231 92 B G T 5S+ 0 0 29 -4,-0.4 -3,-0.2 -5,-0.2 -2,-0.1 0.902 91.6 105.7 79.8 47.4 42.3 20.3 13.6 232 93 B L S - 0 0 39 -17,-1.0 4,-2.7 -2,-0.2 5,-0.2 -0.380 32.3 -94.8 -95.7-179.5 40.2 17.7 7.2 250 112 B R H > S+ 0 0 222 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.917 130.0 43.6 -61.2 -42.4 43.5 16.3 5.9 251 113 B K H > S+ 0 0 126 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.897 113.8 50.7 -69.7 -40.9 44.6 15.9 9.5 252 114 B G H > S+ 0 0 0 2,-0.2 4,-1.9 1,-0.2 5,-0.3 0.926 110.6 48.8 -61.7 -45.5 41.2 14.4 10.6 253 115 B K H X S+ 0 0 137 -4,-2.7 4,-1.4 1,-0.2 -2,-0.2 0.933 113.0 47.5 -58.5 -47.3 41.3 11.9 7.7 254 116 B K H X S+ 0 0 145 -4,-2.1 4,-2.7 1,-0.2 -1,-0.2 0.774 106.5 60.6 -66.1 -26.2 44.9 10.9 8.6 255 117 B K H X S+ 0 0 33 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.938 105.3 43.8 -68.5 -49.4 43.8 10.6 12.3 256 118 B L H X S+ 0 0 1 -4,-1.9 4,-1.5 1,-0.2 -1,-0.2 0.830 114.8 54.8 -61.6 -29.8 41.2 7.9 11.7 257 119 B A H < S+ 0 0 52 -4,-1.4 -2,-0.2 -5,-0.3 3,-0.2 0.933 108.4 44.8 -68.4 -46.7 43.9 6.4 9.4 258 120 B E H < S+ 0 0 115 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.855 119.0 46.0 -63.5 -34.3 46.5 6.4 12.2 259 121 B I H >X S+ 0 0 5 -4,-2.2 3,-2.3 1,-0.2 4,-1.1 0.727 86.3 91.6 -77.6 -27.1 43.8 5.0 14.6 260 122 B S H 3X S+ 0 0 23 -4,-1.5 4,-3.1 1,-0.3 5,-0.4 0.760 76.4 60.0 -54.9 -37.3 42.3 2.3 12.4 261 123 B P H 3> S+ 0 0 34 0, 0.0 4,-1.3 0, 0.0 -1,-0.3 0.839 107.5 50.0 -58.9 -26.6 44.5 -0.7 13.4 262 124 B L H <> S+ 0 0 10 -3,-2.3 4,-2.9 2,-0.2 -2,-0.2 0.942 113.3 43.3 -75.4 -48.7 43.2 -0.2 16.9 263 125 B I H X S+ 0 0 3 -4,-1.1 4,-2.7 2,-0.2 -1,-0.1 0.902 116.7 45.8 -62.3 -47.0 39.5 -0.0 15.9 264 126 B N H X S+ 0 0 34 -4,-3.1 4,-2.4 2,-0.2 -1,-0.2 0.820 113.6 51.3 -70.0 -29.5 39.7 -3.0 13.5 265 127 B D H X S+ 0 0 17 -4,-1.3 4,-2.6 -5,-0.4 -2,-0.2 0.908 111.6 45.8 -68.8 -47.1 41.7 -4.9 16.1 266 128 B F H X S+ 0 0 6 -4,-2.9 4,-2.8 2,-0.2 -2,-0.2 0.899 114.3 50.2 -57.4 -41.5 39.0 -4.1 18.8 267 129 B H H X S+ 0 0 36 -4,-2.7 4,-2.5 2,-0.2 -2,-0.2 0.893 108.9 49.9 -68.0 -41.4 36.4 -5.1 16.1 268 130 B A H X S+ 0 0 47 -4,-2.4 4,-0.9 2,-0.2 -1,-0.2 0.926 111.3 51.0 -57.9 -46.2 38.3 -8.3 15.4 269 131 B E H >< S+ 0 0 78 -4,-2.6 3,-0.6 2,-0.2 4,-0.3 0.961 113.8 45.1 -50.7 -55.9 38.3 -8.9 19.2 270 132 B L H 3< S+ 0 0 9 -4,-2.8 -2,-0.2 1,-0.2 3,-0.2 0.925 129.8 18.0 -56.1 -59.0 34.5 -8.3 19.4 271 133 B V H 3< S+ 0 0 15 -4,-2.5 3,-0.4 1,-0.2 -1,-0.2 0.096 94.8 114.9-109.5 21.1 33.1 -10.3 16.5 272 134 B G S << S+ 0 0 39 -4,-0.9 -1,-0.2 -3,-0.6 -3,-0.1 0.902 74.7 30.3 -67.0 -56.5 36.0 -12.6 15.9 273 135 B N S S+ 0 0 161 -4,-0.3 2,-0.2 -3,-0.2 -1,-0.2 0.319 87.3 114.3 -99.1 10.2 35.2 -16.2 16.5 274 136 B V S S- 0 0 8 -3,-0.4 5,-0.1 1,-0.1 -136,-0.0 -0.574 87.4 -90.1 -71.0 137.8 31.5 -16.1 15.7 275 137 B D > - 0 0 69 -2,-0.2 4,-2.3 1,-0.2 5,-0.2 -0.323 38.7-132.4 -45.6 125.1 30.5 -18.2 12.7 276 138 B P H > S+ 0 0 100 0, 0.0 4,-1.4 0, 0.0 -1,-0.2 0.687 105.6 47.5 -64.5 -20.9 30.9 -15.5 9.9 277 139 B D H > S+ 0 0 120 2,-0.2 4,-1.9 3,-0.1 5,-0.1 0.793 109.8 50.5 -88.8 -37.2 27.5 -16.5 8.4 278 140 B K H > S+ 0 0 83 2,-0.2 4,-2.3 1,-0.2 -140,-0.2 0.855 113.1 50.1 -59.7 -37.1 25.8 -16.4 11.8 279 141 B L H X S+ 0 0 23 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.913 105.6 52.9 -73.2 -43.3 27.4 -13.0 12.1 280 142 B Q H X S+ 0 0 78 -4,-1.4 4,-2.7 2,-0.2 -1,-0.2 0.920 111.7 48.0 -54.5 -46.9 26.3 -11.7 8.7 281 143 B T H X S+ 0 0 29 -4,-1.9 4,-2.5 2,-0.2 5,-0.3 0.940 108.7 53.5 -57.5 -50.0 22.7 -12.7 9.7 282 144 B C H X S+ 0 0 0 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.920 111.7 46.5 -49.4 -45.3 23.2 -10.9 13.1 283 145 B I H X S+ 0 0 17 -4,-2.7 4,-1.8 1,-0.2 -2,-0.2 0.936 110.3 51.4 -67.7 -44.6 24.2 -7.8 11.1 284 146 B E H X S+ 0 0 80 -4,-2.7 4,-1.9 1,-0.2 -1,-0.2 0.889 111.7 48.1 -57.3 -43.9 21.3 -8.0 8.6 285 147 B V H X S+ 0 0 0 -4,-2.5 4,-3.2 2,-0.2 5,-0.2 0.907 108.6 51.4 -65.8 -46.6 18.7 -8.3 11.4 286 148 B L H X S+ 0 0 0 -4,-2.1 4,-1.4 -5,-0.3 -1,-0.2 0.835 113.0 48.2 -60.6 -32.1 20.1 -5.4 13.4 287 149 B G H X S+ 0 0 25 -4,-1.8 4,-1.9 2,-0.2 -1,-0.2 0.818 112.2 48.5 -77.9 -33.4 19.9 -3.4 10.3 288 150 B E H X S+ 0 0 76 -4,-1.9 4,-1.7 -5,-0.2 -2,-0.2 0.988 109.3 52.0 -62.7 -62.8 16.4 -4.5 9.6 289 151 B I H < S+ 0 0 6 -4,-3.2 4,-0.4 1,-0.2 -2,-0.2 0.844 114.7 42.8 -40.6 -48.3 15.2 -3.8 13.1 290 152 B L H >X S+ 0 0 12 -4,-1.4 3,-2.4 -5,-0.2 4,-1.9 0.931 104.1 60.9 -71.8 -50.4 16.6 -0.2 13.0 291 153 B K H 3X S+ 0 0 158 -4,-1.9 4,-1.0 1,-0.3 -1,-0.2 0.919 102.2 56.1 -38.7 -54.6 15.4 0.8 9.5 292 154 B G H 3< S+ 0 0 75 -4,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.678 111.6 44.0 -56.3 -22.5 11.9 0.2 10.7 293 155 B K H <4 S+ 0 0 58 -3,-2.4 -1,-0.2 -4,-0.4 -2,-0.2 0.870 132.4 1.6 -89.2 -44.5 12.4 2.7 13.5 294 156 B T H < - 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0 0 12 -3,-1.3 3,-1.8 -4,-0.4 4,-1.4 -0.695 66.5-142.6 -84.2 112.5 45.7 -2.5 54.0 314 24 C L H 3> S+ 0 0 2 -2,-0.7 4,-2.6 1,-0.3 3,-0.3 0.835 94.7 57.2 -47.1 -53.2 47.0 -4.1 50.8 315 25 C P H 3> S+ 0 0 4 0, 0.0 4,-1.0 0, 0.0 -1,-0.3 0.745 108.4 48.3 -47.9 -32.5 45.9 -1.4 48.3 316 26 C Y H <> S+ 0 0 21 -3,-1.8 4,-1.8 -6,-0.2 5,-0.2 0.879 112.0 48.1 -78.7 -38.9 47.9 1.3 50.2 317 27 C L H X S+ 0 0 1 -4,-1.4 4,-2.5 -3,-0.3 5,-0.3 0.954 108.5 53.2 -67.2 -51.3 51.1 -0.8 50.4 318 28 C L H X S+ 0 0 1 -4,-2.6 4,-2.3 1,-0.2 5,-0.2 0.890 109.4 51.3 -47.5 -45.4 51.0 -1.7 46.7 319 29 C T H X S+ 0 0 14 -4,-1.0 4,-3.2 -5,-0.2 5,-0.3 0.946 112.3 41.5 -62.2 -55.6 50.8 2.0 45.8 320 30 C R H X S+ 0 0 9 -4,-1.8 4,-2.3 1,-0.2 -1,-0.2 0.907 118.4 46.9 -59.7 -46.2 53.7 3.4 47.9 321 31 C I H X S+ 0 0 1 -4,-2.5 4,-1.7 -5,-0.2 -1,-0.2 0.860 116.3 45.0 -65.8 -36.1 55.9 0.4 47.0 322 32 C T H X S+ 0 0 15 -4,-2.3 4,-2.8 -5,-0.3 5,-0.4 0.893 112.0 49.6 -73.7 -45.6 55.0 0.7 43.3 323 33 C H H X S+ 0 0 70 -4,-3.2 4,-1.9 -5,-0.2 -2,-0.2 0.924 112.9 51.6 -55.0 -41.7 55.4 4.5 43.2 324 34 C I H X S+ 0 0 21 -4,-2.3 4,-2.1 -5,-0.3 -2,-0.2 0.894 112.2 44.1 -62.7 -42.5 58.7 3.8 44.8 325 35 C W H X S+ 0 0 22 -4,-1.7 4,-2.0 2,-0.2 5,-0.3 0.978 116.8 42.9 -69.2 -55.0 59.8 1.3 42.2 326 36 C S H X S+ 0 0 25 -4,-2.8 4,-1.8 1,-0.2 -1,-0.2 0.794 115.7 52.7 -63.2 -28.3 58.7 3.2 39.1 327 37 C S H X S+ 0 0 52 -4,-1.9 4,-1.0 -5,-0.4 -1,-0.2 0.976 112.6 39.5 -70.0 -57.0 60.2 6.4 40.6 328 38 C E H X S+ 0 0 74 -4,-2.1 4,-0.5 1,-0.2 -2,-0.2 0.779 122.7 45.1 -63.5 -27.0 63.7 5.2 41.4 329 39 C L H X S+ 0 0 2 -4,-2.0 4,-1.4 -5,-0.2 3,-0.3 0.842 102.4 60.3 -87.6 -37.3 63.8 3.2 38.2 330 40 C N H X S+ 0 0 66 -4,-1.8 4,-0.6 -5,-0.3 -2,-0.2 0.831 111.7 43.0 -61.6 -28.2 62.4 5.7 35.7 331 41 C Q H X S+ 0 0 144 -4,-1.0 4,-0.7 2,-0.2 -1,-0.2 0.629 106.8 56.6 -97.1 -16.5 65.3 8.0 36.5 332 42 C A H X S+ 0 0 23 -4,-0.5 4,-0.7 -3,-0.3 -2,-0.2 0.649 114.9 42.3 -81.7 -18.8 68.0 5.4 36.6 333 43 C L H X>S+ 0 0 0 -4,-1.4 4,-1.8 2,-0.2 5,-0.6 0.676 96.5 77.0 -89.4 -27.1 66.9 4.7 33.0 334 44 C A H <5S+ 0 0 61 -4,-0.6 3,-0.3 -5,-0.2 -2,-0.2 0.895 97.6 49.1 -47.4 -41.7 66.6 8.5 32.4 335 45 C S H <5S+ 0 0 102 -4,-0.7 -1,-0.2 1,-0.2 -2,-0.2 0.985 117.7 36.6 -53.8 -62.3 70.3 8.2 32.1 336 46 C E H <5S- 0 0 83 -4,-0.7 -2,-0.2 2,-0.1 -1,-0.2 0.411 100.4-138.4 -81.5 2.5 70.2 5.3 29.7 337 47 C K T <5 + 0 0 172 -4,-1.8 -3,-0.2 -3,-0.3 -1,-0.1 0.812 62.3 129.2 32.0 51.2 67.2 6.6 27.9 338 48 C L < - 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0 0 39 0, 0.0 4,-1.9 0, 0.0 3,-0.7 -0.405 52.4 -91.0 -68.5 157.6 39.1 9.6 41.7 486 50 D T H 3> S+ 0 0 18 -14,-0.3 4,-2.4 1,-0.2 5,-0.1 0.704 122.9 60.2 -51.6 -29.2 41.9 7.7 43.4 487 51 D P H 3> S+ 0 0 42 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.965 110.8 37.2 -61.2 -56.7 43.9 11.0 44.2 488 52 D K H <> S+ 0 0 7 -3,-0.7 4,-2.7 1,-0.2 5,-0.3 0.914 119.6 50.2 -57.5 -46.6 41.2 12.7 46.3 489 53 D L H X S+ 0 0 10 -4,-1.9 4,-2.9 1,-0.2 -1,-0.2 0.852 107.4 54.9 -62.6 -36.9 40.2 9.3 47.8 490 54 D R H X S+ 0 0 62 -4,-2.4 4,-1.6 -5,-0.3 -1,-0.2 0.882 113.5 40.5 -61.9 -44.5 43.9 8.6 48.6 491 55 D L H X S+ 0 0 1 -4,-1.8 4,-3.3 2,-0.2 3,-0.4 0.979 117.2 46.8 -69.8 -60.2 44.3 11.8 50.6 492 56 D L H X S+ 0 0 0 -4,-2.7 4,-2.3 1,-0.3 -2,-0.2 0.935 112.8 52.1 -41.1 -52.8 40.9 11.6 52.2 493 57 D S H X S+ 0 0 12 -4,-2.9 4,-1.8 -5,-0.3 -1,-0.3 0.886 112.3 45.5 -57.5 -37.2 41.7 8.0 53.0 494 58 D S H X S+ 0 0 3 -4,-1.6 4,-3.5 -3,-0.4 5,-0.5 0.887 107.2 56.0 -73.4 -42.0 45.0 9.2 54.5 495 59 D L H X S+ 0 0 4 -4,-3.3 4,-2.4 2,-0.2 51,-0.2 0.891 108.3 51.5 -58.1 -40.2 43.5 12.0 56.6 496 60 D S H < S+ 0 0 32 -4,-2.3 -2,-0.2 -5,-0.3 -1,-0.2 0.988 116.9 36.5 -56.3 -60.0 41.2 9.5 58.1 497 61 D A H < S+ 0 0 2 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.843 128.4 34.8 -68.0 -34.5 43.9 7.1 59.1 498 62 D Y H < S- 0 0 40 -4,-3.5 2,-0.3 -192,-0.2 -3,-0.2 0.846 90.1-145.2 -95.4 -36.3 46.5 9.7 60.0 499 63 D G S < S+ 0 0 34 -4,-2.4 47,-0.4 -5,-0.5 2,-0.3 -0.299 70.3 10.3 109.0 -49.9 44.4 12.5 61.5 500 64 D E + 0 0 75 -2,-0.3 2,-0.3 45,-0.1 45,-0.2 -0.809 68.8 173.1-170.1 119.3 46.1 15.7 60.5 501 65 D L E -G 544 0D 4 43,-1.4 43,-2.0 -2,-0.3 -2,-0.0 -0.916 32.7-112.4-134.7 152.9 48.9 16.2 58.0 502 66 D T E > -G 543 0D 23 -2,-0.3 4,-1.5 41,-0.2 41,-0.2 -0.252 43.0-105.7 -66.9 171.7 50.8 19.0 56.3 503 67 D V H > S+ 0 0 37 39,-0.8 4,-1.5 1,-0.2 -1,-0.1 0.809 125.2 58.4 -65.2 -28.5 50.3 19.2 52.6 504 68 D G H > S+ 0 0 14 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.868 106.0 43.8 -69.3 -40.3 53.8 17.7 52.5 505 69 D Q H > S+ 0 0 60 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.794 110.9 56.6 -74.4 -30.9 52.9 14.6 54.4 506 70 D L H X S+ 0 0 0 -4,-1.5 4,-1.1 2,-0.2 -2,-0.2 0.836 106.1 51.7 -65.1 -35.7 49.7 14.3 52.4 507 71 D A H <>S+ 0 0 4 -4,-1.5 5,-2.0 2,-0.2 4,-0.4 0.936 111.3 45.8 -67.4 -47.9 51.9 14.3 49.3 508 72 D T H ><5S+ 0 0 56 -4,-1.7 3,-2.0 1,-0.2 -2,-0.2 0.983 114.9 44.3 -59.8 -62.6 54.1 11.5 50.5 509 73 D L H 3<5S+ 0 0 6 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.765 119.8 46.7 -49.0 -30.0 51.4 9.2 51.8 510 74 D G T 3<5S- 0 0 0 -4,-1.1 -1,-0.3 -5,-0.2 -2,-0.2 0.308 106.2-124.6-102.1 5.4 49.6 9.9 48.5 511 75 D V T < 5 + 0 0 13 -3,-2.0 2,-0.3 -4,-0.4 -3,-0.2 0.885 69.4 113.5 50.8 49.8 52.5 9.5 46.0 512 76 D X S - 0 0 102 -2,-0.3 4,-2.9 -3,-0.1 5,-0.3 -0.642 38.4-117.4 -86.7 148.1 53.9 16.3 44.1 514 78 D Q H > S+ 0 0 116 -2,-0.3 4,-1.8 1,-0.2 -1,-0.1 0.694 114.9 56.3 -66.6 -14.8 53.0 19.0 46.6 515 79 D S H > S+ 0 0 78 2,-0.2 4,-2.2 3,-0.2 -1,-0.2 0.956 112.8 37.7 -74.2 -55.2 51.7 21.1 43.8 516 80 D T H > S+ 0 0 37 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.833 119.6 50.0 -64.2 -37.0 49.2 18.5 42.5 517 81 D T H X S+ 0 0 0 -4,-2.9 4,-3.5 2,-0.2 5,-0.3 0.953 106.7 53.9 -65.4 -53.0 48.5 17.5 46.1 518 82 D S H X S+ 0 0 38 -4,-1.8 4,-1.5 -5,-0.3 -2,-0.2 0.913 113.0 45.2 -42.5 -47.8 48.0 21.2 47.0 519 83 D R H X S+ 0 0 155 -4,-2.2 4,-1.1 2,-0.2 -2,-0.2 0.860 111.5 50.7 -69.3 -37.6 45.4 21.1 44.1 520 84 D T H >X S+ 0 0 6 -4,-2.3 4,-2.1 1,-0.2 3,-1.0 0.965 111.8 48.8 -61.2 -53.1 43.9 17.8 45.2 521 85 D V H 3X S+ 0 0 2 -4,-3.5 4,-1.7 1,-0.2 -2,-0.2 0.827 107.1 56.6 -49.8 -38.1 43.5 19.2 48.8 522 86 D D H 3X S+ 0 0 52 -4,-1.5 4,-0.9 -5,-0.3 -1,-0.2 0.716 106.1 49.2 -78.8 -19.5 41.9 22.4 47.3 523 87 D Q H S+ 0 0 1 -4,-2.1 6,-1.9 1,-0.2 5,-1.6 0.775 109.2 52.7 -61.6 -29.9 38.5 18.5 48.8 525 89 D V H <5S+ 0 0 42 -4,-1.7 3,-0.4 4,-0.2 -1,-0.2 0.871 112.0 44.9 -71.3 -36.8 38.2 21.7 50.7 526 90 D D H <5S+ 0 0 134 -4,-0.9 -2,-0.2 -3,-0.3 -1,-0.2 0.509 108.7 56.9 -87.6 -6.7 35.7 23.2 48.2 527 91 D E T <5S- 0 0 64 -4,-1.0 -1,-0.2 -3,-0.1 -2,-0.2 0.512 117.4-107.4 -98.1 -10.3 33.6 20.0 48.1 528 92 D G T 5S+ 0 0 29 -4,-0.5 22,-0.6 -3,-0.4 21,-0.3 0.455 93.8 104.8 100.4 5.1 33.0 20.0 51.9 529 93 D L S - 0 0 35 -18,-1.6 4,-3.5 -2,-0.4 5,-0.2 -0.291 32.6 -96.6 -83.3 174.8 35.4 17.7 58.0 548 112 D R H > S+ 0 0 134 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.941 130.6 43.0 -57.3 -51.2 32.0 16.3 59.3 549 113 D K H > S+ 0 0 133 -21,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.838 114.6 53.8 -62.9 -33.3 30.8 15.8 55.7 550 114 D G H > S+ 0 0 0 -22,-0.6 4,-1.9 2,-0.2 5,-0.3 0.975 107.4 48.1 -62.3 -55.1 34.3 14.5 54.9 551 115 D K H X S+ 0 0 106 -4,-3.5 4,-0.8 1,-0.2 -2,-0.2 0.842 115.2 46.9 -54.8 -36.8 34.2 11.9 57.6 552 116 D K H X S+ 0 0 60 -4,-1.8 4,-2.7 -5,-0.2 -1,-0.2 0.837 103.7 59.1 -81.7 -32.1 30.8 10.8 56.5 553 117 D K H X S+ 0 0 28 -4,-2.2 4,-2.3 2,-0.3 5,-0.2 0.971 106.9 48.0 -57.5 -52.6 31.5 10.6 52.8 554 118 D L H X S+ 0 0 1 -4,-1.9 4,-1.3 1,-0.2 -1,-0.2 0.850 111.9 54.2 -53.6 -32.0 34.2 8.1 53.5 555 119 D A H < S+ 0 0 49 -4,-0.8 -2,-0.3 -5,-0.3 -1,-0.2 0.879 105.6 49.1 -72.0 -41.2 31.5 6.5 55.6 556 120 D E H < S+ 0 0 115 -4,-2.7 4,-0.2 1,-0.2 -2,-0.2 0.908 115.5 46.3 -57.7 -42.0 28.9 6.3 52.7 557 121 D I H >X S+ 0 0 8 -4,-2.3 3,-2.0 1,-0.2 4,-1.4 0.705 83.3 98.1 -81.3 -22.4 31.6 4.8 50.5 558 122 D S H 3X S+ 0 0 20 -4,-1.3 4,-3.1 1,-0.3 5,-0.3 0.742 79.7 52.7 -31.4 -54.8 32.9 2.1 53.0 559 123 D P H 3> S+ 0 0 35 0, 0.0 4,-1.4 0, 0.0 -1,-0.3 0.798 108.6 52.5 -65.4 -27.1 31.0 -0.9 51.7 560 124 D L H <> S+ 0 0 12 -3,-2.0 4,-2.9 -4,-0.2 -2,-0.2 0.961 114.2 40.6 -68.3 -54.0 32.2 -0.2 48.2 561 125 D I H X S+ 0 0 2 -4,-1.4 4,-2.3 2,-0.2 5,-0.1 0.919 117.5 46.4 -60.0 -50.4 35.9 -0.1 49.2 562 126 D N H X S+ 0 0 38 -4,-3.1 4,-1.8 2,-0.2 -1,-0.2 0.844 114.7 49.3 -65.9 -32.0 35.7 -3.0 51.6 563 127 D D H X S+ 0 0 23 -4,-1.4 4,-1.8 -5,-0.3 -2,-0.2 0.919 111.6 47.6 -66.5 -46.5 33.8 -5.0 49.0 564 128 D F H X S+ 0 0 11 -4,-2.9 4,-1.6 1,-0.2 -2,-0.2 0.844 113.6 50.4 -61.8 -32.7 36.4 -4.1 46.4 565 129 D H H X S+ 0 0 35 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.832 106.5 52.7 -73.2 -37.1 39.0 -5.1 49.0 566 130 D A H < S+ 0 0 49 -4,-1.8 4,-0.2 2,-0.2 -2,-0.2 0.787 107.5 53.2 -68.9 -31.6 37.2 -8.5 49.6 567 131 D E H >< S+ 0 0 103 -4,-1.8 3,-0.6 2,-0.1 4,-0.3 0.953 113.7 44.3 -62.3 -49.2 37.3 -9.2 45.9 568 132 D L H 3< S+ 0 0 6 -4,-1.6 -2,-0.2 1,-0.2 -3,-0.1 0.972 128.5 19.9 -63.7 -66.7 41.0 -8.5 45.8 569 133 D V T 3< S+ 0 0 14 -4,-2.2 -1,-0.2 1,-0.1 3,-0.2 0.038 99.2 118.9 -96.1 27.1 42.5 -10.3 48.8 570 134 D G S < S+ 0 0 33 -3,-0.6 -1,-0.1 -4,-0.2 -3,-0.1 0.982 71.8 22.7 -62.7 -83.8 39.5 -12.6 49.1 571 135 D N S S+ 0 0 169 -4,-0.3 2,-0.2 -3,-0.1 -1,-0.2 0.338 90.9 122.9 -79.3 12.2 40.0 -16.3 48.8 572 136 D V S S- 0 0 9 -3,-0.2 5,-0.1 1,-0.1 -137,-0.0 -0.526 81.1 -91.8 -70.8 133.4 43.7 -16.1 49.7 573 137 D D > - 0 0 68 -2,-0.2 4,-2.0 1,-0.2 3,-0.2 -0.229 36.6-128.9 -44.7 125.7 44.8 -18.2 52.7 574 138 D P H > S+ 0 0 100 0, 0.0 4,-1.3 0, 0.0 -1,-0.2 0.769 106.3 44.8 -53.6 -33.7 44.3 -15.9 55.7 575 139 D D H > S+ 0 0 124 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.812 109.6 52.7 -83.7 -36.5 47.9 -16.6 56.9 576 140 D K H > S+ 0 0 82 -3,-0.2 4,-1.9 2,-0.2 -141,-0.2 0.813 110.1 52.0 -66.5 -29.3 49.6 -16.4 53.6 577 141 D L H X S+ 0 0 29 -4,-2.0 4,-2.9 2,-0.2 -2,-0.2 0.923 105.7 51.5 -73.6 -44.5 48.0 -13.0 53.2 578 142 D Q H X S+ 0 0 91 -4,-1.3 4,-2.6 2,-0.2 -2,-0.2 0.882 111.7 48.8 -58.0 -39.7 49.2 -11.7 56.6 579 143 D T H X S+ 0 0 30 -4,-1.7 4,-2.4 2,-0.2 5,-0.2 0.901 108.9 53.2 -64.3 -43.8 52.7 -12.8 55.6 580 144 D C H X S+ 0 0 0 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.939 110.9 47.0 -53.0 -48.3 52.2 -11.0 52.3 581 145 D I H X S+ 0 0 16 -4,-2.9 4,-1.9 1,-0.2 -2,-0.2 0.948 111.0 51.0 -61.1 -49.4 51.3 -7.9 54.3 582 146 D E H X S+ 0 0 78 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.859 111.9 47.1 -54.5 -44.5 54.3 -8.2 56.6 583 147 D V H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 -1,-0.2 0.920 109.2 52.5 -68.0 -44.4 56.7 -8.5 53.8 584 148 D L H X S+ 0 0 0 -4,-2.4 4,-1.7 -5,-0.2 -1,-0.2 0.833 111.7 49.2 -61.6 -31.1 55.2 -5.6 51.9 585 149 D G H X S+ 0 0 26 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.857 109.0 50.1 -75.0 -40.4 55.7 -3.6 55.0 586 150 D E H X S+ 0 0 84 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.998 111.4 50.2 -54.7 -63.0 59.3 -4.6 55.6 587 151 D I H X S+ 0 0 7 -4,-2.6 4,-1.0 1,-0.2 -2,-0.2 0.870 113.9 43.9 -43.6 -51.1 60.1 -3.7 52.0 588 152 D L H >X S+ 0 0 10 -4,-1.7 4,-1.8 -5,-0.2 3,-1.0 0.952 108.5 55.1 -63.8 -53.2 58.5 -0.3 52.3 589 153 D K H 3X S+ 0 0 150 -4,-2.3 4,-0.8 1,-0.3 -1,-0.2 0.880 104.2 55.4 -48.4 -47.4 59.9 0.8 55.7 590 154 D G H 3< S+ 0 0 66 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.824 111.0 45.5 -56.7 -35.5 63.5 0.1 54.6 591 155 D K H << S+ 0 0 53 -3,-1.0 -1,-0.2 -4,-1.0 -2,-0.2 0.838 134.3 0.1 -75.2 -38.8 63.1 2.5 51.6 592 156 D T H < - 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0 0 12 -3,-1.2 4,-2.1 1,-0.1 3,-0.7 -0.844 66.4-148.2 -99.6 110.3 8.4 7.7 62.0 612 24 E L H 3> S+ 0 0 0 -2,-0.7 4,-2.3 1,-0.3 -1,-0.1 0.802 91.9 48.1 -53.0 -44.7 9.6 9.6 65.1 613 25 E P H 3> S+ 0 0 5 0, 0.0 4,-3.0 0, 0.0 -1,-0.3 0.846 109.3 52.1 -66.1 -36.7 8.7 6.9 67.7 614 26 E Y H <> S+ 0 0 15 -3,-0.7 4,-3.1 2,-0.2 5,-0.2 0.947 111.7 47.8 -64.2 -44.8 10.3 4.0 65.9 615 27 E L H X S+ 0 0 0 -4,-2.1 4,-2.4 -7,-0.2 5,-0.3 0.936 111.7 50.9 -57.5 -47.4 13.5 6.1 65.6 616 28 E L H X S+ 0 0 1 -4,-2.3 4,-2.2 -5,-0.2 5,-0.3 0.957 112.3 45.7 -57.9 -49.4 13.3 6.9 69.3 617 29 E T H X S+ 0 0 9 -4,-3.0 4,-1.6 1,-0.2 -2,-0.2 0.923 114.3 47.4 -63.5 -44.0 12.8 3.2 70.2 618 30 E R H X S+ 0 0 7 -4,-3.1 4,-2.1 -5,-0.2 -2,-0.2 0.978 118.3 39.8 -55.3 -58.6 15.7 2.0 68.0 619 31 E I H X S+ 0 0 2 -4,-2.4 4,-3.1 2,-0.2 5,-0.3 0.946 110.1 55.5 -60.7 -60.4 18.2 4.6 69.1 620 32 E T H X S+ 0 0 20 -4,-2.2 4,-4.0 -5,-0.3 -1,-0.2 0.902 109.6 50.4 -34.6 -58.6 17.4 4.7 72.8 621 33 E H H X S+ 0 0 77 -4,-1.6 4,-3.8 -5,-0.3 5,-0.2 0.944 110.1 48.1 -47.3 -59.7 18.0 1.0 72.9 622 34 E I H X S+ 0 0 20 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.929 115.8 45.1 -47.4 -49.4 21.4 1.3 71.1 623 35 E W H X S+ 0 0 14 -4,-3.1 4,-2.1 1,-0.2 -2,-0.2 0.928 115.9 48.0 -62.3 -47.8 22.3 4.1 73.5 624 36 E S H X S+ 0 0 39 -4,-4.0 4,-1.6 -5,-0.3 -2,-0.2 0.955 111.9 47.4 -53.3 -60.0 21.0 2.0 76.5 625 37 E S H >X S+ 0 0 42 -4,-3.8 4,-1.8 1,-0.2 3,-1.0 0.950 111.2 51.5 -49.4 -62.5 22.8 -1.2 75.5 626 38 E E H 3X S+ 0 0 37 -4,-2.2 4,-1.3 1,-0.3 -1,-0.2 0.879 111.8 44.8 -38.1 -60.0 26.1 0.5 74.9 627 39 E L H 3X S+ 0 0 16 -4,-2.1 4,-3.2 1,-0.2 -1,-0.3 0.713 107.6 62.4 -67.7 -20.2 26.2 2.3 78.3 628 40 E N H < S+ 0 0 14 -4,-1.3 3,-1.4 -5,-0.3 -2,-0.2 0.953 114.3 39.6 -73.4 -54.4 30.1 0.0 79.7 631 43 E L H ><>S+ 0 0 4 -4,-3.2 5,-1.0 1,-0.3 3,-0.7 0.586 98.6 80.0 -70.6 -11.5 28.7 0.7 83.2 632 44 E A T 3<5S+ 0 0 81 -4,-1.1 3,-0.3 1,-0.2 -1,-0.3 0.769 97.6 42.9 -65.9 -23.4 28.7 -3.0 83.9 633 45 E S T < 5S+ 0 0 90 -3,-1.4 -1,-0.2 -4,-0.3 -2,-0.2 0.446 103.4 62.8-105.0 -2.6 32.4 -2.7 84.7 634 46 E E T < 5S- 0 0 95 -3,-0.7 -1,-0.2 -4,-0.2 -2,-0.1 -0.053 102.2-115.2-117.0 33.9 32.6 0.6 86.7 635 47 E K T 5S+ 0 0 167 -3,-0.3 -3,-0.1 1,-0.1 -2,-0.1 0.759 86.0 109.7 31.8 43.5 30.5 -0.4 89.8 636 48 E L < - 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0 0 21 -2,-0.4 4,-2.0 38,-0.2 5,-0.2 -0.381 43.3-100.3 -75.5 167.7 11.7 13.5 96.0 655 67 E V H > S+ 0 0 4 36,-0.3 4,-2.9 1,-0.2 5,-0.1 0.826 125.2 54.8 -61.7 -29.6 11.5 9.9 95.0 656 68 E G H > S+ 0 0 7 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.938 108.0 45.2 -69.2 -49.5 8.7 10.9 92.6 657 69 E Q H > S+ 0 0 66 1,-0.2 4,-1.6 2,-0.2 -2,-0.2 0.782 116.9 48.3 -63.5 -28.3 10.8 13.6 90.9 658 70 E L H X S+ 0 0 0 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.903 109.0 52.8 -73.5 -44.5 13.6 11.0 90.7 659 71 E A H <>S+ 0 0 5 -4,-2.9 5,-3.3 1,-0.2 -2,-0.2 0.908 115.2 41.1 -56.0 -45.7 11.2 8.3 89.4 660 72 E T H ><5S+ 0 0 61 -4,-2.5 3,-1.0 3,-0.2 -1,-0.2 0.889 117.0 43.7 -74.4 -44.9 10.0 10.6 86.6 661 73 E L H 3<5S+ 0 0 4 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.784 119.1 45.5 -70.6 -28.1 13.3 12.2 85.5 662 74 E G T 3<5S- 0 0 2 -4,-2.0 -1,-0.2 2,-0.2 -2,-0.2 0.188 108.5-126.0-100.4 14.6 15.1 8.8 85.7 663 75 E V T < 5 + 0 0 27 -3,-1.0 2,-0.3 1,-0.2 -3,-0.2 0.902 66.5 128.8 33.7 61.2 12.3 7.1 83.9 664 76 E X < - 0 0 27 -5,-3.3 -2,-0.2 -6,-0.2 -1,-0.2 -0.997 68.0 -99.7-138.1 145.3 11.9 4.5 86.6 665 77 E E > - 0 0 47 -2,-0.3 4,-1.7 1,-0.1 3,-0.5 -0.358 40.4-115.1 -55.7 137.4 9.0 3.3 88.6 666 78 E Q H > S+ 0 0 26 1,-0.2 4,-2.0 2,-0.2 -1,-0.1 0.746 112.0 52.1 -51.7 -33.4 8.9 5.0 92.0 667 79 E S H > S+ 0 0 5 408,-0.6 4,-2.7 2,-0.2 -1,-0.2 0.908 110.2 45.8 -72.8 -43.7 9.5 1.8 94.0 668 80 E T H > S+ 0 0 35 -3,-0.5 4,-1.6 1,-0.2 -2,-0.2 0.780 115.2 52.0 -68.2 -21.4 12.5 0.8 92.1 669 81 E T H X S+ 0 0 0 -4,-1.7 4,-2.4 2,-0.2 -2,-0.2 0.819 108.4 48.1 -82.5 -34.3 13.5 4.4 92.5 670 82 E S H X S+ 0 0 23 -4,-2.0 4,-1.9 -5,-0.2 -2,-0.2 0.936 115.9 44.5 -67.0 -47.0 13.0 4.3 96.3 671 83 E R H X S+ 0 0 78 -4,-2.7 4,-1.1 2,-0.2 -2,-0.2 0.873 113.0 52.5 -66.5 -35.8 15.0 1.1 96.5 672 84 E T H >X S+ 0 0 16 -4,-1.6 4,-1.7 -5,-0.2 3,-1.4 0.987 109.8 46.6 -59.1 -62.2 17.6 2.6 94.2 673 85 E V H 3X S+ 0 0 0 -4,-2.4 4,-2.9 1,-0.3 5,-0.2 0.826 106.0 62.8 -42.9 -40.9 18.0 5.8 96.4 674 86 E D H 3X S+ 0 0 73 -4,-1.9 4,-1.1 1,-0.2 -1,-0.3 0.843 106.4 42.7 -59.0 -37.3 18.2 3.5 99.4 675 87 E Q H S+ 0 0 0 -4,-1.7 5,-2.2 2,-0.2 4,-1.2 0.908 110.2 47.4 -65.6 -40.3 22.7 5.3 97.0 677 89 E V H <5S+ 0 0 51 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.760 108.1 54.9 -73.0 -27.1 22.2 6.4 100.6 678 90 E D H <5S+ 0 0 150 -4,-1.1 -1,-0.2 -5,-0.2 -2,-0.2 0.707 112.3 44.2 -76.0 -18.4 23.9 3.2 101.9 679 91 E E H <5S- 0 0 59 -4,-1.0 -2,-0.2 -3,-0.4 -1,-0.2 0.633 112.7-117.1 -93.9 -20.9 27.0 4.0 99.7 680 92 E G T <5S+ 0 0 26 -4,-1.2 19,-0.5 2,-0.3 18,-0.4 0.635 84.5 115.8 92.8 15.7 27.1 7.7 100.7 681 93 E L S - 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0 0 28 -5,-1.8 -1,-0.2 -6,-0.2 -2,-0.1 -0.867 66.1 -94.8-124.4 164.5 -13.9 -7.4 95.1 1110 77 H E > - 0 0 128 -2,-0.3 4,-2.5 1,-0.1 5,-0.2 -0.288 38.3-113.9 -67.2 159.8 -16.1 -10.4 94.3 1111 78 H Q H > S+ 0 0 123 2,-0.2 4,-3.2 1,-0.2 5,-0.3 0.985 117.8 45.6 -62.4 -58.0 -16.0 -13.2 96.9 1112 79 H S H > S+ 0 0 64 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.928 113.7 51.3 -44.8 -52.1 -14.3 -15.7 94.5 1113 80 H T H > S+ 0 0 50 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.894 112.5 45.3 -55.9 -45.4 -11.9 -12.9 93.5 1114 81 H T H X S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.868 108.1 56.5 -66.2 -41.7 -11.0 -12.2 97.1 1115 82 H S H X S+ 0 0 43 -4,-3.2 4,-0.7 1,-0.2 -1,-0.2 0.838 111.9 44.4 -60.1 -31.0 -10.7 -15.8 97.9 1116 83 H R H X S+ 0 0 160 -4,-1.8 4,-1.3 -5,-0.3 -2,-0.2 0.685 109.1 55.1 -88.1 -19.4 -8.1 -16.0 95.1 1117 84 H T H X S+ 0 0 11 -4,-1.2 4,-1.3 2,-0.2 -2,-0.2 0.842 105.7 51.9 -78.3 -36.0 -6.3 -12.8 96.1 1118 85 H V H X S+ 0 0 2 -4,-2.2 4,-1.8 2,-0.2 9,-0.2 0.828 104.6 59.6 -65.2 -32.8 -5.7 -14.1 99.7 1119 86 H D H >X S+ 0 0 61 -4,-0.7 4,-2.6 -5,-0.2 3,-0.5 0.964 104.3 47.5 -59.0 -54.3 -4.3 -17.2 98.2 1120 87 H Q H 3X S+ 0 0 84 -4,-1.3 4,-1.1 1,-0.2 -1,-0.2 0.814 112.6 50.9 -55.7 -34.0 -1.6 -15.3 96.4 1121 88 H L H 3<>S+ 0 0 2 -4,-1.3 5,-1.8 2,-0.2 6,-1.6 0.770 110.5 47.8 -77.9 -27.0 -0.8 -13.4 99.6 1122 89 H V H X<5S+ 0 0 50 -4,-1.8 3,-1.4 -3,-0.5 -2,-0.2 0.884 112.0 48.4 -78.8 -40.6 -0.5 -16.6 101.7 1123 90 H D H 3<5S+ 0 0 147 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.813 111.4 52.3 -64.5 -31.5 1.8 -18.3 99.1 1124 91 H E T 3<5S- 0 0 47 -4,-1.1 -1,-0.3 -5,-0.3 -2,-0.2 0.291 113.9-123.5 -86.3 8.1 3.8 -15.0 99.2 1125 92 H G T < 5S+ 0 0 27 -3,-1.4 21,-0.6 2,-0.2 20,-0.3 0.548 80.2 119.7 63.3 7.3 3.9 -15.3 103.0 1126 93 H L S - 0 0 35 -17,-1.2 4,-2.6 -2,-0.6 5,-0.1 -0.152 31.4-100.6 -66.0 173.3 2.2 -12.0 108.9 1144 112 H R H > S+ 0 0 214 2,-0.2 4,-2.9 1,-0.2 5,-0.1 0.919 129.9 50.8 -60.3 -48.3 5.4 -10.3 110.2 1145 113 H K H > S+ 0 0 122 -20,-0.3 4,-3.3 2,-0.2 5,-0.4 0.974 107.7 52.0 -48.6 -62.3 6.5 -10.2 106.6 1146 114 H G H > S+ 0 0 0 -21,-0.6 4,-1.4 1,-0.3 -2,-0.2 0.910 110.2 49.1 -40.1 -53.5 3.2 -8.6 105.7 1147 115 H K H X S+ 0 0 133 -4,-2.6 4,-1.9 2,-0.2 -1,-0.3 0.894 113.1 47.5 -59.0 -42.8 3.8 -6.0 108.3 1148 116 H K H >X S+ 0 0 154 -4,-2.9 4,-2.3 1,-0.2 3,-0.7 0.992 109.5 50.9 -59.8 -59.0 7.3 -5.4 107.0 1149 117 H K H 3X S+ 0 0 40 -4,-3.3 4,-0.8 1,-0.3 -1,-0.2 0.688 111.0 51.3 -57.5 -18.0 6.2 -5.1 103.4 1150 118 H L H 3< S+ 0 0 1 -4,-1.4 4,-0.4 -5,-0.4 -1,-0.3 0.880 111.0 48.1 -79.7 -39.4 3.6 -2.6 104.5 1151 119 H A H << S+ 0 0 59 -4,-1.9 -2,-0.2 -3,-0.7 3,-0.2 0.778 109.5 50.0 -74.6 -30.8 6.2 -0.6 106.3 1152 120 H E H < S+ 0 0 92 -4,-2.3 4,-0.3 1,-0.2 -1,-0.2 0.913 115.0 44.2 -73.9 -39.5 8.8 -0.5 103.5 1153 121 H I S X S+ 0 0 5 -4,-0.8 4,-2.1 -5,-0.3 -1,-0.2 0.486 93.6 89.0 -80.2 -3.8 6.2 0.7 101.0 1154 122 H S H > S+ 0 0 11 -4,-0.4 4,-2.7 1,-0.2 5,-0.3 0.876 78.2 55.4 -67.2 -41.3 4.7 3.2 103.5 1155 123 H P H > S+ 0 0 59 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.913 111.0 48.9 -62.4 -33.2 6.9 6.2 102.8 1156 124 H L H > S+ 0 0 7 -4,-0.3 4,-2.6 2,-0.2 3,-0.4 0.967 111.1 46.8 -64.4 -56.6 5.8 5.9 99.2 1157 125 H I H X S+ 0 0 2 -4,-2.1 4,-3.0 1,-0.2 -1,-0.2 0.929 113.5 50.4 -47.5 -49.8 2.0 5.6 99.9 1158 126 H N H X S+ 0 0 40 -4,-2.7 4,-2.4 2,-0.2 -1,-0.2 0.780 107.4 53.3 -67.5 -29.8 2.3 8.5 102.3 1159 127 H D H X S+ 0 0 21 -4,-1.6 4,-3.1 -3,-0.4 -1,-0.2 0.965 110.5 46.5 -61.7 -55.7 4.1 10.6 99.6 1160 128 H F H X S+ 0 0 9 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.932 111.6 53.7 -52.9 -47.0 1.3 9.9 97.2 1161 129 H H H X S+ 0 0 41 -4,-3.0 4,-1.8 1,-0.2 -1,-0.2 0.948 111.1 43.3 -49.6 -61.8 -1.2 10.8 100.0 1162 130 H A H < S+ 0 0 37 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.873 111.6 56.6 -48.8 -43.5 0.4 14.1 100.7 1163 131 H E H >< S+ 0 0 51 -4,-3.1 3,-0.6 1,-0.2 4,-0.2 0.918 108.5 48.0 -58.5 -42.9 0.7 14.7 96.9 1164 132 H L H 3< S+ 0 0 10 -4,-2.6 3,-0.3 1,-0.2 -126,-0.2 0.966 124.0 24.8 -62.3 -62.5 -3.1 14.2 96.5 1165 133 H V T >< S+ 0 0 18 -4,-1.8 3,-1.2 1,-0.2 -1,-0.2 0.019 89.8 128.4 -95.6 27.0 -4.6 16.4 99.2 1166 134 H G T < S+ 0 0 54 -3,-0.6 -1,-0.2 1,-0.3 -2,-0.1 0.892 71.6 31.2 -54.8 -58.0 -1.6 18.6 99.3 1167 135 H N T 3 S+ 0 0 157 -3,-0.3 2,-0.4 -4,-0.2 -1,-0.3 0.209 91.0 119.3 -93.8 16.6 -2.9 22.2 98.9 1168 136 H V S < S- 0 0 15 -3,-1.2 -3,-0.0 1,-0.1 -138,-0.0 -0.688 73.4-110.5 -86.9 127.7 -6.2 21.6 100.7 1169 137 H D > - 0 0 78 -2,-0.4 4,-3.6 1,-0.1 5,-0.1 -0.331 27.9-130.6 -50.5 134.6 -7.0 23.6 103.8 1170 138 H P H > S+ 0 0 91 0, 0.0 4,-1.7 0, 0.0 -1,-0.1 0.791 105.9 45.4 -65.3 -35.0 -6.8 21.1 106.7 1171 139 H D H > S+ 0 0 121 2,-0.2 4,-2.6 3,-0.1 5,-0.2 0.950 116.2 46.0 -73.7 -52.4 -10.1 22.1 108.2 1172 140 H K H > S+ 0 0 57 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.926 112.6 52.1 -48.1 -49.1 -11.8 22.1 104.8 1173 141 H L H X S+ 0 0 31 -4,-3.6 4,-2.0 1,-0.2 -1,-0.2 0.906 108.9 50.8 -57.6 -41.1 -10.1 18.7 104.1 1174 142 H Q H X S+ 0 0 83 -4,-1.7 4,-1.9 2,-0.2 5,-0.2 0.947 106.9 52.0 -63.1 -51.4 -11.5 17.4 107.4 1175 143 H T H X S+ 0 0 39 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.910 109.7 52.4 -47.4 -48.5 -15.1 18.5 106.6 1176 144 H C H X S+ 0 0 0 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.913 108.7 47.2 -56.3 -50.6 -14.7 16.7 103.2 1177 145 H I H X S+ 0 0 13 -4,-2.0 4,-1.6 1,-0.2 -1,-0.2 0.787 112.5 51.2 -67.5 -25.2 -13.6 13.3 104.7 1178 146 H E H X S+ 0 0 90 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.852 108.7 50.3 -79.3 -36.8 -16.4 13.5 107.3 1179 147 H V H X S+ 0 0 0 -4,-2.3 4,-1.5 -5,-0.2 -2,-0.2 0.840 111.8 48.7 -65.5 -35.4 -19.0 14.1 104.6 1180 148 H L H X S+ 0 0 0 -4,-2.0 4,-2.8 -5,-0.2 5,-0.2 0.889 109.4 52.9 -71.9 -36.4 -17.6 11.1 102.7 1181 149 H G H X S+ 0 0 24 -4,-1.6 4,-2.2 1,-0.2 -2,-0.2 0.938 109.4 47.9 -59.4 -48.2 -17.8 9.1 105.9 1182 150 H E H X S+ 0 0 69 -4,-2.3 4,-1.5 2,-0.2 -1,-0.2 0.809 111.4 51.9 -62.2 -33.3 -21.4 10.0 106.4 1183 151 H I H < S+ 0 0 4 -4,-1.5 4,-0.5 2,-0.2 -2,-0.2 0.915 112.3 43.5 -71.4 -44.3 -22.1 9.1 102.8 1184 152 H L H >X S+ 0 0 13 -4,-2.8 4,-0.7 1,-0.2 3,-0.5 0.830 113.0 55.1 -66.7 -28.9 -20.4 5.7 103.2 1185 153 H K H 3< S+ 0 0 176 -4,-2.2 3,-0.2 1,-0.2 -2,-0.2 0.826 106.6 49.1 -75.4 -30.6 -22.3 5.4 106.5 1186 154 H G T 3< S+ 0 0 67 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.536 114.7 46.7 -81.7 -6.3 -25.7 6.0 104.8 1187 155 H K T <4 S+ 0 0 61 -3,-0.5 2,-0.3 -4,-0.5 -2,-0.2 0.430 121.2 3.3-117.4 -4.4 -24.9 3.4 102.1 1188 156 H T < - 0 0 49 -4,-0.7 -1,-0.3 -3,-0.2 -269,-0.0 -0.916 45.4-138.6-176.1 156.9 -23.6 0.5 104.2 1189 157 H D 0 0 172 -2,-0.3 -1,-0.1 1,-0.2 -4,-0.0 0.799 360.0 360.0 -84.6 -38.0 -22.9 -0.9 107.7 1190 158 H Y 0 0 81 -85,-0.0 -1,-0.2 -88,-0.0 0, 0.0 -0.961 360.0 360.0-117.2 360.0 -19.5 -2.5 106.9