==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=31-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 09-FEB-06 2FZF . COMPND 2 MOLECULE: HYPOTHETICAL PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS FURIOSUS; . AUTHOR Z.-Q.FU,Z.-J.LIU,D.LEE,L.KELLEY,L.CHEN,W.TEMPEL,N.SHAH, . 316 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16303.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 246 77.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 1.3 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 . 14 4.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 196 62.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 0 0 0 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 2 0 1 2 0 1 1 RESIDUES PER ALPHA HELIX . 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 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 10 A G 0 0 77 0, 0.0 79,-0.2 0, 0.0 77,-0.0 0.000 360.0 360.0 360.0-127.1 22.2 62.7 -4.1 2 11 A L B -a 80 0A 29 77,-2.9 79,-1.7 79,-0.3 5,-0.0 -0.772 360.0-105.7 -99.5 139.7 25.3 63.0 -1.8 3 12 A P > - 0 0 82 0, 0.0 3,-1.9 0, 0.0 -1,-0.1 -0.299 27.7-115.6 -61.5 145.7 28.5 61.1 -2.5 4 13 A I G > S+ 0 0 36 1,-0.3 3,-1.0 2,-0.1 4,-0.2 0.807 112.8 71.3 -47.8 -34.2 29.3 58.1 -0.1 5 14 A E G > S+ 0 0 163 1,-0.3 3,-0.8 2,-0.1 2,-0.7 0.862 90.1 57.8 -53.7 -42.0 32.3 60.2 1.0 6 15 A K G < + 0 0 50 -3,-1.9 3,-0.4 1,-0.2 -1,-0.3 -0.150 69.0 109.1 -88.4 44.0 30.1 62.7 2.8 7 16 A M G X + 0 0 2 -3,-1.0 3,-1.8 -2,-0.7 -1,-0.2 0.729 66.3 71.5 -84.5 -24.4 28.6 60.1 5.1 8 17 A A T < S+ 0 0 78 -3,-0.8 -1,-0.2 1,-0.3 -2,-0.1 0.656 79.2 75.9 -66.6 -13.2 30.5 61.5 7.9 9 18 A D T 3 S+ 0 0 115 -3,-0.4 2,-0.3 2,-0.0 -1,-0.3 0.493 96.3 58.1 -75.2 -2.2 28.2 64.6 7.8 10 19 A F S < S- 0 0 32 -3,-1.8 2,-0.0 1,-0.1 -3,-0.0 -0.888 81.0-114.9-130.2 160.0 25.6 62.5 9.6 11 20 A S > - 0 0 45 -2,-0.3 4,-2.4 1,-0.1 5,-0.2 -0.204 36.7-102.2 -82.3 175.8 25.0 60.4 12.7 12 21 A L H > S+ 0 0 34 2,-0.2 4,-3.0 1,-0.2 5,-0.1 0.910 124.0 45.6 -68.1 -39.1 24.5 56.7 13.0 13 22 A E H > S+ 0 0 73 2,-0.2 4,-2.3 1,-0.2 61,-0.3 0.884 112.5 50.6 -70.2 -38.7 20.7 57.2 13.5 14 23 A E H > S+ 0 0 64 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.918 113.2 46.7 -64.2 -43.5 20.5 59.7 10.7 15 24 A L H X S+ 0 0 0 -4,-2.4 4,-2.8 2,-0.2 3,-0.4 0.973 110.2 51.4 -63.6 -53.5 22.3 57.3 8.5 16 25 A L H X S+ 0 0 2 -4,-3.0 4,-2.5 1,-0.3 -1,-0.2 0.881 109.1 52.7 -52.7 -36.1 20.1 54.4 9.6 17 26 A G H X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 -1,-0.3 0.912 108.5 49.9 -64.0 -40.2 17.1 56.6 8.8 18 27 A M H X S+ 0 0 11 -4,-2.0 4,-2.9 -3,-0.4 -2,-0.2 0.928 109.5 52.0 -59.9 -47.6 18.6 57.2 5.3 19 28 A A H X S+ 0 0 3 -4,-2.8 4,-2.7 2,-0.2 5,-0.2 0.937 110.5 46.6 -54.5 -53.8 19.0 53.4 4.9 20 29 A I H X S+ 0 0 0 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.935 113.0 50.6 -54.8 -48.7 15.4 52.7 5.8 21 30 A K H X S+ 0 0 82 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.895 110.7 49.0 -57.7 -43.0 14.3 55.5 3.4 22 31 A A H X S+ 0 0 60 -4,-2.9 4,-1.9 1,-0.2 -1,-0.2 0.921 111.5 48.4 -64.7 -43.9 16.4 54.0 0.6 23 32 A E H X S+ 0 0 6 -4,-2.7 4,-2.0 2,-0.2 -1,-0.2 0.808 109.6 53.8 -67.3 -29.3 15.1 50.6 1.1 24 33 A I H X S+ 0 0 52 -4,-2.1 4,-1.6 -5,-0.2 -2,-0.2 0.956 112.4 41.5 -70.4 -47.5 11.5 51.8 1.2 25 34 A G H X S+ 0 0 15 -4,-2.1 4,-0.8 2,-0.2 -2,-0.2 0.788 112.7 56.6 -69.3 -28.7 11.8 53.7 -2.1 26 35 A A H >X S+ 0 0 9 -4,-1.9 4,-2.5 -5,-0.2 3,-1.4 0.980 104.1 51.2 -64.5 -58.7 13.7 50.8 -3.6 27 36 A R H 3X S+ 0 0 79 -4,-2.0 4,-1.9 1,-0.3 -2,-0.2 0.863 114.0 44.0 -46.1 -46.5 11.0 48.2 -2.9 28 37 A E H 3X S+ 0 0 88 -4,-1.6 4,-0.9 2,-0.2 59,-0.3 0.679 109.7 58.6 -78.1 -14.5 8.4 50.4 -4.5 29 38 A F H < S+ 0 0 0 -4,-1.7 3,-0.9 2,-0.2 -2,-0.2 0.983 111.9 40.8 -64.0 -57.2 9.5 48.3 -12.7 34 43 A A H 3< S+ 0 0 1 -4,-3.0 4,-0.4 1,-0.3 5,-0.2 0.936 109.0 62.1 -55.3 -47.8 8.3 44.6 -12.8 35 44 A E H 3< S+ 0 0 98 -4,-1.4 2,-0.7 -5,-0.4 -1,-0.3 0.813 109.3 44.0 -44.7 -38.8 4.8 45.8 -13.1 36 45 A K S << S+ 0 0 57 -4,-1.3 -1,-0.2 -3,-0.9 53,-0.0 -0.892 87.7 86.6-114.8 98.7 5.7 47.5 -16.4 37 46 A I - 0 0 10 -2,-0.7 -1,-0.1 -3,-0.1 -2,-0.1 0.339 53.9-159.3-156.5 -48.4 7.9 45.1 -18.5 38 47 A K + 0 0 158 -4,-0.4 2,-0.5 -3,-0.2 -3,-0.1 0.769 59.1 118.9 60.3 23.2 6.0 42.7 -20.7 39 48 A I >> - 0 0 40 -5,-0.2 2,-3.8 2,-0.0 4,-1.9 -0.786 60.3-149.9-124.8 86.5 9.1 40.6 -20.7 40 49 A E T 34 S+ 0 0 197 -2,-0.5 -3,-0.0 1,-0.2 0, 0.0 -0.192 91.9 37.2 -53.5 65.9 8.4 37.2 -19.2 41 50 A A T 3> S+ 0 0 48 -2,-3.8 4,-1.9 0, 0.0 -1,-0.2 0.007 114.3 45.1-176.8 -55.0 11.9 36.9 -18.0 42 51 A L H <> S+ 0 0 4 -3,-1.0 4,-4.1 2,-0.2 5,-0.3 0.880 110.6 55.7 -75.1 -39.8 13.2 40.2 -16.8 43 52 A K H X S+ 0 0 53 -4,-1.9 4,-1.2 1,-0.2 -1,-0.2 0.803 108.0 53.5 -59.8 -29.1 10.0 40.9 -14.9 44 53 A E H > S+ 0 0 105 -5,-0.5 4,-2.4 2,-0.2 5,-0.2 0.958 111.5 41.6 -69.0 -55.5 10.8 37.6 -13.3 45 54 A K H X S+ 0 0 26 -4,-1.9 4,-2.2 1,-0.2 5,-0.2 0.950 116.0 50.0 -58.4 -50.3 14.3 38.7 -12.2 46 55 A I H X S+ 0 0 0 -4,-4.1 4,-1.2 1,-0.2 -1,-0.2 0.808 111.5 50.1 -61.9 -25.9 13.1 42.1 -11.2 47 56 A N H X S+ 0 0 47 -4,-1.2 4,-1.9 -5,-0.3 -1,-0.2 0.883 109.6 47.5 -78.1 -40.7 10.3 40.5 -9.2 48 57 A W H X S+ 0 0 34 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.876 112.6 52.0 -66.4 -35.9 12.6 38.0 -7.3 49 58 A L H X S+ 0 0 3 -4,-2.2 4,-1.7 -5,-0.2 -1,-0.2 0.864 107.0 52.3 -67.9 -37.0 14.9 41.0 -6.6 50 59 A A H < S+ 0 0 0 -4,-1.2 -2,-0.2 -5,-0.2 -1,-0.2 0.892 111.2 47.0 -66.2 -40.0 12.0 43.0 -5.2 51 60 A E H >X S+ 0 0 112 -4,-1.9 3,-2.3 1,-0.2 4,-0.6 0.937 107.1 56.5 -65.9 -50.3 11.0 40.2 -2.8 52 61 A E H >< S+ 0 0 22 -4,-2.4 3,-0.7 1,-0.3 -1,-0.2 0.889 109.8 45.9 -49.0 -46.2 14.5 39.7 -1.6 53 62 A E T 3X S+ 0 0 2 -4,-1.7 4,-0.5 1,-0.2 3,-0.3 0.335 89.7 86.7 -83.7 8.0 14.8 43.3 -0.6 54 63 A K H X> S+ 0 0 71 -3,-2.3 4,-0.7 1,-0.2 3,-0.5 0.868 87.8 51.2 -73.6 -35.6 11.4 43.4 1.2 55 64 A K H S+ 0 0 0 -3,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.907 91.0 49.4 -62.1 -43.7 15.6 44.8 4.4 57 66 A E H X S+ 0 0 8 -4,-1.7 4,-2.4 2,-0.2 3,-0.6 0.968 110.3 52.6 -60.9 -52.5 18.4 47.4 14.4 64 73 A Y H 3X S+ 0 0 7 -4,-3.0 4,-1.0 1,-0.3 -1,-0.2 0.816 111.8 48.2 -52.5 -30.2 17.4 51.1 14.8 65 74 A S H 3< S+ 0 0 71 -4,-1.1 -1,-0.3 -5,-0.2 -2,-0.2 0.822 109.9 52.9 -78.7 -33.1 15.1 49.9 17.6 66 75 A Q H << S+ 0 0 76 -4,-1.9 -2,-0.2 -3,-0.6 -1,-0.2 0.810 119.3 32.3 -72.9 -31.8 18.0 47.8 19.1 67 76 A M H < S+ 0 0 75 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.584 131.1 35.0-101.6 -11.1 20.5 50.7 19.2 68 77 A F S >< S- 0 0 33 -4,-1.0 3,-1.5 -5,-0.4 -1,-0.2 -0.344 79.1-169.8-138.9 58.2 17.8 53.4 19.9 69 78 A P T 3 S+ 0 0 105 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 -0.224 74.1 6.8 -54.9 125.5 15.1 51.9 22.1 70 79 A G T 3 S+ 0 0 72 1,-0.2 2,-0.4 -5,-0.1 -5,-0.1 0.018 100.9 113.4 93.2 -27.7 12.0 54.1 22.4 71 80 A K < - 0 0 151 -3,-1.5 -1,-0.2 -7,-0.2 -3,-0.1 -0.669 65.1-126.8 -85.8 128.2 13.2 56.7 19.8 72 81 A E - 0 0 158 -2,-0.4 -1,-0.1 1,-0.1 2,-0.0 -0.360 34.7 -93.0 -70.7 149.9 11.2 57.1 16.6 73 82 A V - 0 0 33 -2,-0.1 2,-0.5 1,-0.0 -1,-0.1 -0.334 38.4-153.8 -64.0 139.7 13.0 56.9 13.3 74 83 A V - 0 0 68 -61,-0.3 -57,-0.2 -3,-0.1 -56,-0.1 -0.971 0.9-153.4-119.9 127.4 14.1 60.2 11.9 75 84 A F - 0 0 82 -2,-0.5 -61,-0.1 -58,-0.1 -60,-0.1 -0.870 12.4-143.2-104.1 115.0 14.6 60.8 8.1 76 85 A P - 0 0 13 0, 0.0 -66,-0.0 0, 0.0 -2,-0.0 -0.367 17.3-125.2 -70.4 153.7 17.1 63.5 7.1 77 86 A K S S+ 0 0 193 -2,-0.0 -2,-0.0 2,-0.0 0, 0.0 0.899 91.8 71.8 -65.6 -40.1 16.3 65.6 4.0 78 87 A E - 0 0 99 -77,-0.0 2,-0.3 1,-0.0 0, 0.0 -0.221 66.2-169.7 -73.5 165.3 19.6 64.7 2.4 79 88 A H - 0 0 47 -58,-0.0 -77,-2.9 2,-0.0 2,-0.3 -0.966 20.3-123.0-159.4 141.2 20.4 61.3 1.0 80 89 A I B S-a 2 0A 17 -2,-0.3 34,-0.0 -79,-0.2 -76,-0.0 -0.651 74.4 -2.5 -86.1 139.3 23.4 59.4 -0.3 81 90 A G S S- 0 0 8 -79,-1.7 -79,-0.3 -2,-0.3 26,-0.1 0.083 108.0 -27.9 73.1 173.6 23.4 58.0 -3.8 82 91 A P - 0 0 32 0, 0.0 2,-0.8 0, 0.0 -2,-0.1 -0.324 55.6-137.6 -64.9 138.3 20.6 58.0 -6.4 83 92 A E - 0 0 89 -4,-0.1 2,-0.3 -2,-0.1 -2,-0.1 -0.845 17.9-142.9-101.5 104.6 17.0 58.1 -5.1 84 93 A L - 0 0 24 -2,-0.8 -56,-0.1 -62,-0.1 -55,-0.1 -0.493 12.6-155.7 -69.3 123.0 14.9 55.7 -7.1 85 94 A Q - 0 0 114 -2,-0.3 2,-0.1 1,-0.1 -1,-0.0 -0.716 31.4 -92.5 -97.9 150.4 11.3 57.0 -7.8 86 95 A P - 0 0 61 0, 0.0 2,-0.7 0, 0.0 -57,-0.2 -0.380 39.7-119.9 -63.5 136.6 8.4 54.6 -8.5 87 96 A V + 0 0 10 -58,-0.5 -51,-0.1 -59,-0.3 -52,-0.1 -0.697 46.7 154.8 -82.8 113.1 7.9 53.9 -12.2 88 97 A A + 0 0 83 -2,-0.7 -1,-0.2 2,-0.1 -55,-0.0 0.674 46.4 84.5-109.0 -24.8 4.4 55.0 -13.2 89 98 A R S S- 0 0 144 1,-0.1 2,-0.4 -53,-0.0 -53,-0.0 -0.158 84.6 -98.5 -74.2 170.1 4.8 55.7 -16.9 90 99 A E - 0 0 157 1,-0.0 2,-0.7 -53,-0.0 -1,-0.1 -0.783 29.4-126.3 -96.4 133.6 4.6 53.2 -19.8 91 100 A L + 0 0 37 -2,-0.4 3,-0.1 1,-0.2 -54,-0.0 -0.697 32.8 172.1 -80.1 114.0 7.9 51.8 -21.2 92 101 A E + 0 0 152 -2,-0.7 2,-0.3 1,-0.1 -1,-0.2 0.787 59.7 26.1 -93.2 -35.1 7.8 52.4 -24.9 93 102 A K S >> S- 0 0 105 1,-0.1 4,-0.9 0, 0.0 3,-0.5 -0.861 77.1-112.6-130.1 164.6 11.2 51.4 -26.0 94 103 A V H 3> S+ 0 0 30 -2,-0.3 4,-2.6 1,-0.2 3,-0.2 0.801 112.8 67.0 -63.9 -30.7 14.0 49.1 -24.8 95 104 A Q H 3> S+ 0 0 77 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.907 97.5 53.5 -57.8 -40.8 16.2 52.2 -24.1 96 105 A D H <> S+ 0 0 21 -3,-0.5 4,-1.9 1,-0.2 -1,-0.2 0.856 109.6 46.9 -60.8 -39.2 13.7 53.1 -21.3 97 106 A I H X S+ 0 0 9 -4,-0.9 4,-1.8 -3,-0.2 -1,-0.2 0.880 111.6 53.9 -69.9 -37.7 14.2 49.7 -19.8 98 107 A I H X S+ 0 0 9 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.944 108.0 47.7 -59.7 -51.7 17.9 50.1 -20.2 99 108 A D H X S+ 0 0 50 -4,-2.9 4,-2.4 1,-0.2 5,-0.3 0.957 112.6 48.2 -54.0 -58.1 18.0 53.5 -18.4 100 109 A L H X S+ 0 0 19 -4,-1.9 4,-1.2 1,-0.2 -1,-0.2 0.791 113.9 46.3 -56.2 -35.0 15.9 52.2 -15.4 101 110 A I H X S+ 0 0 0 -4,-1.8 4,-2.0 2,-0.2 -1,-0.2 0.873 110.8 53.9 -76.9 -34.5 18.0 49.0 -15.1 102 111 A R H X S+ 0 0 87 -4,-2.5 4,-1.2 1,-0.2 -2,-0.2 0.915 110.8 45.2 -63.6 -43.6 21.2 51.1 -15.3 103 112 A W H X S+ 0 0 129 -4,-2.4 4,-2.7 1,-0.2 -1,-0.2 0.803 109.1 58.1 -68.0 -32.6 20.1 53.4 -12.5 104 113 A A H X S+ 0 0 0 -4,-1.2 4,-2.2 -5,-0.3 -2,-0.2 0.922 107.1 44.7 -66.1 -44.7 19.0 50.4 -10.4 105 114 A M H X S+ 0 0 24 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.828 112.0 55.2 -70.0 -26.0 22.5 48.8 -10.4 106 115 A K H X S+ 0 0 92 -4,-1.2 4,-2.6 2,-0.2 -2,-0.2 0.944 108.9 46.1 -67.8 -48.0 23.9 52.2 -9.7 107 116 A A H X S+ 0 0 15 -4,-2.7 4,-1.9 1,-0.2 -2,-0.2 0.863 113.5 49.0 -62.2 -36.0 21.6 52.5 -6.7 108 117 A E H X S+ 0 0 4 -4,-2.2 4,-2.3 2,-0.2 5,-0.3 0.835 108.3 56.6 -72.6 -29.6 22.6 49.0 -5.6 109 118 A E H X S+ 0 0 63 -4,-1.9 4,-1.9 1,-0.2 -2,-0.2 0.979 111.2 40.0 -63.6 -57.4 26.2 50.0 -6.1 110 119 A I H X S+ 0 0 24 -4,-2.6 4,-1.4 1,-0.2 -1,-0.2 0.844 113.8 57.5 -63.4 -31.0 26.1 52.9 -3.7 111 120 A A H X S+ 0 0 20 -4,-1.9 4,-2.8 -5,-0.2 5,-0.2 0.924 107.6 43.0 -65.8 -48.8 23.9 50.8 -1.3 112 121 A A H X S+ 0 0 3 -4,-2.3 4,-1.1 1,-0.2 -1,-0.2 0.921 115.5 50.4 -64.0 -41.9 26.3 47.9 -0.8 113 122 A E H X S+ 0 0 95 -4,-1.9 4,-1.2 -5,-0.3 -1,-0.2 0.806 110.3 52.6 -64.2 -28.7 29.2 50.4 -0.5 114 123 A F H >X S+ 0 0 12 -4,-1.4 4,-2.8 2,-0.2 3,-0.7 0.961 108.5 47.0 -70.0 -54.7 27.1 52.2 2.0 115 124 A Y H 3X S+ 0 0 3 -4,-2.8 4,-0.7 1,-0.3 20,-0.2 0.661 107.1 60.7 -63.0 -16.6 26.4 49.1 4.2 116 125 A L H 3X S+ 0 0 65 -4,-1.1 4,-0.8 -5,-0.2 -1,-0.3 0.875 110.4 39.2 -75.7 -41.3 30.1 48.4 4.0 117 126 A K H XX S+ 0 0 71 -4,-1.2 4,-2.9 -3,-0.7 3,-1.2 0.943 112.3 54.4 -72.9 -50.2 30.9 51.7 5.7 118 127 A L H 3< S+ 0 0 1 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.808 102.6 62.6 -53.8 -29.0 28.1 51.5 8.1 119 128 A E H >< S+ 0 0 18 -4,-0.7 3,-0.5 -5,-0.3 -1,-0.3 0.896 111.7 34.0 -63.2 -42.0 29.6 48.2 9.0 120 129 A E H << S+ 0 0 126 -3,-1.2 -2,-0.2 -4,-0.8 -1,-0.2 0.798 109.8 64.9 -82.5 -31.3 32.8 49.8 10.2 121 130 A M T 3< S+ 0 0 80 -4,-2.9 2,-0.3 -5,-0.1 -1,-0.2 0.232 103.6 59.8 -77.0 14.9 31.0 52.9 11.5 122 131 A V S < S- 0 0 23 -3,-0.5 2,-0.2 -5,-0.2 6,-0.0 -0.979 73.4-140.7-141.6 152.2 29.3 50.7 14.1 123 132 A K + 0 0 182 -2,-0.3 4,-0.2 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-4,-0.1 -2,-0.1 -0.897 16.1-147.8-111.2 104.3 33.2 19.9 -9.5 243 93 B L - 0 0 26 -2,-0.7 -55,-0.2 -62,-0.1 3,-0.0 -0.474 8.6-153.0 -72.5 136.0 30.2 19.7 -7.1 244 94 B Q - 0 0 108 -2,-0.2 2,-0.1 -56,-0.1 3,-0.0 -0.812 30.8 -92.2-108.6 149.5 28.4 16.4 -6.9 245 95 B P - 0 0 55 0, 0.0 2,-0.3 0, 0.0 -57,-0.1 -0.388 43.3-114.6 -63.4 132.0 24.7 16.1 -5.9 246 96 B V + 0 0 18 -58,-0.4 -52,-0.1 1,-0.2 -51,-0.1 -0.520 41.4 166.9 -70.4 124.4 24.1 15.5 -2.2 247 97 B A + 0 0 87 -2,-0.3 -1,-0.2 2,-0.1 0, 0.0 0.802 55.0 67.6-103.7 -45.7 22.7 12.1 -1.5 248 98 B R S S- 0 0 136 1,-0.1 2,-0.3 -53,-0.0 -53,-0.0 0.303 89.7 -94.1 -59.8-164.7 23.1 11.7 2.2 249 99 B E - 0 0 148 -53,-0.0 2,-1.2 0, 0.0 -1,-0.1 -0.887 26.9-112.0-120.5 152.9 21.3 13.8 4.8 250 100 B L + 0 0 40 -2,-0.3 3,-0.0 1,-0.2 6,-0.0 -0.696 40.0 167.7 -86.9 97.3 22.3 17.0 6.6 251 101 B E + 0 0 145 -2,-1.2 2,-0.2 1,-0.1 -1,-0.2 0.961 62.6 31.0 -72.6 -54.0 22.8 15.9 10.2 252 102 B K S >> S- 0 0 128 1,-0.1 3,-1.3 0, 0.0 4,-0.8 -0.705 77.0-120.8-109.5 157.8 24.5 19.0 11.6 253 103 B V H 3> S+ 0 0 53 1,-0.3 4,-1.6 -2,-0.2 3,-0.3 0.812 112.9 71.4 -62.1 -26.7 24.3 22.7 10.7 254 104 B Q H 3> S+ 0 0 85 1,-0.2 4,-2.4 2,-0.2 -1,-0.3 0.800 89.0 57.9 -58.3 -33.9 28.0 22.2 10.1 255 105 B D H <> S+ 0 0 19 -3,-1.3 4,-2.0 2,-0.2 -1,-0.2 0.909 102.7 53.7 -63.6 -44.1 27.2 20.1 6.9 256 106 B I H X S+ 0 0 9 -4,-0.8 4,-2.5 -3,-0.3 5,-0.2 0.932 109.2 49.5 -54.8 -49.3 25.3 23.1 5.5 257 107 B I H X S+ 0 0 8 -4,-1.6 4,-3.0 1,-0.2 5,-0.3 0.963 107.2 53.9 -53.9 -57.1 28.4 25.2 6.0 258 108 B D H X S+ 0 0 74 -4,-2.4 4,-1.3 1,-0.2 -1,-0.2 0.840 114.0 42.3 -47.3 -41.4 30.6 22.7 4.4 259 109 B L H X S+ 0 0 21 -4,-2.0 4,-1.8 2,-0.2 -1,-0.2 0.827 114.3 49.9 -77.4 -35.2 28.4 22.7 1.3 260 110 B I H X S+ 0 0 0 -4,-2.5 4,-1.8 2,-0.2 -2,-0.2 0.802 109.5 51.8 -73.1 -31.4 27.9 26.5 1.2 261 111 B R H X S+ 0 0 103 -4,-3.0 4,-1.0 -5,-0.2 -2,-0.2 0.901 114.1 43.1 -72.4 -39.1 31.6 27.2 1.5 262 112 B W H X S+ 0 0 130 -4,-1.3 4,-1.8 -5,-0.3 -2,-0.2 0.820 108.9 58.4 -74.8 -31.9 32.3 24.9 -1.4 263 113 B A H X S+ 0 0 0 -4,-1.8 4,-2.0 2,-0.2 3,-0.5 0.970 110.1 41.9 -61.3 -53.4 29.5 26.2 -3.5 264 114 B M H X S+ 0 0 4 -4,-1.8 4,-2.4 1,-0.3 -1,-0.2 0.779 109.6 59.7 -64.3 -26.2 30.8 29.8 -3.4 265 115 B K H X S+ 0 0 78 -4,-1.0 4,-1.2 1,-0.2 -1,-0.3 0.882 109.3 43.3 -69.0 -35.4 34.2 28.3 -3.9 266 116 B A H X S+ 0 0 13 -4,-1.8 4,-1.7 -3,-0.5 -2,-0.2 0.833 113.8 49.9 -77.4 -33.2 32.9 26.9 -7.2 267 117 B E H X S+ 0 0 4 -4,-2.0 4,-1.6 2,-0.2 -2,-0.2 0.878 107.1 55.3 -71.2 -39.8 31.0 30.1 -8.2 268 118 B E H X S+ 0 0 87 -4,-2.4 4,-1.2 1,-0.2 -1,-0.2 0.884 113.7 40.6 -60.4 -42.3 34.1 32.3 -7.5 269 119 B I H X S+ 0 0 27 -4,-1.2 4,-2.2 2,-0.2 -1,-0.2 0.815 109.1 60.1 -76.5 -32.5 36.1 30.1 -10.0 270 120 B A H X S+ 0 0 25 -4,-1.7 4,-1.7 2,-0.2 -2,-0.2 0.824 104.5 50.6 -64.5 -32.5 33.2 29.9 -12.5 271 121 B A H X S+ 0 0 5 -4,-1.6 4,-2.3 2,-0.2 -1,-0.2 0.917 108.9 50.3 -70.3 -45.0 33.3 33.7 -12.8 272 122 B E H X S+ 0 0 86 -4,-1.2 4,-2.0 1,-0.2 5,-0.2 0.877 107.7 57.2 -58.9 -37.8 37.0 33.6 -13.4 273 123 B F H X S+ 0 0 17 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.913 110.3 40.5 -61.2 -45.3 36.3 30.9 -16.1 274 124 B Y H X S+ 0 0 4 -4,-1.7 4,-1.5 2,-0.2 -1,-0.2 0.839 110.4 57.5 -75.7 -31.4 33.9 33.1 -18.0 275 125 B L H X S+ 0 0 81 -4,-2.3 4,-0.8 2,-0.2 -1,-0.2 0.912 113.0 41.2 -63.2 -42.0 36.0 36.3 -17.7 276 126 B K H >X S+ 0 0 34 -4,-2.0 4,-2.1 1,-0.2 3,-0.7 0.875 111.8 55.4 -72.1 -38.0 38.8 34.5 -19.3 277 127 B L H 3< S+ 0 0 1 -4,-1.9 -2,-0.2 1,-0.3 -1,-0.2 0.766 100.1 62.0 -65.1 -24.4 36.5 32.9 -21.8 278 128 B E H >< S+ 0 0 43 -4,-1.5 3,-0.6 1,-0.2 -1,-0.3 0.843 106.5 44.9 -68.0 -35.4 35.4 36.4 -22.7 279 129 B E H << S+ 0 0 141 -4,-0.8 -2,-0.2 -3,-0.7 -1,-0.2 0.934 106.4 56.7 -74.7 -48.3 38.9 37.1 -23.8 280 130 B M T 3< S+ 0 0 116 -4,-2.1 2,-0.3 2,-0.0 -1,-0.2 0.213 104.9 71.1 -71.6 20.5 39.4 33.8 -25.8 281 131 B V < - 0 0 17 -3,-0.6 2,-0.2 -5,-0.1 6,-0.0 -0.980 64.4-158.9-137.9 149.5 36.3 34.8 -27.9 282 132 B K + 0 0 178 -2,-0.3 4,-0.3 4,-0.0 5,-0.1 -0.447 52.9 71.4-113.6-172.0 35.6 37.5 -30.5 283 133 B E S >> S- 0 0 113 -2,-0.2 3,-1.4 1,-0.1 4,-1.2 0.876 77.3-117.0 64.5 105.1 32.4 39.1 -31.8 284 134 B E H 3> S+ 0 0 113 1,-0.3 4,-1.8 2,-0.2 5,-0.1 0.677 109.4 63.3 -44.3 -28.4 30.9 41.5 -29.3 285 135 B E H 3> S+ 0 0 93 1,-0.2 4,-1.6 2,-0.2 -1,-0.3 0.915 105.1 44.5 -67.4 -42.4 27.7 39.5 -29.0 286 136 B K H <> S+ 0 0 16 -3,-1.4 4,-1.9 -4,-0.3 -1,-0.2 0.738 109.3 59.1 -72.1 -23.8 29.5 36.4 -27.6 287 137 B K H X S+ 0 0 41 -4,-1.2 4,-2.6 2,-0.2 -2,-0.2 0.917 104.1 48.8 -71.5 -41.8 31.5 38.7 -25.3 288 138 B R H X S+ 0 0 39 -4,-1.8 4,-3.6 2,-0.2 -2,-0.2 0.928 109.0 55.4 -59.9 -45.9 28.3 40.1 -23.6 289 139 B L H X S+ 0 0 28 -4,-1.6 4,-2.4 2,-0.3 -1,-0.2 0.915 110.9 42.1 -52.4 -51.5 27.1 36.5 -23.2 290 140 B M H X S+ 0 0 2 -4,-1.9 4,-2.4 1,-0.2 -1,-0.2 0.914 114.3 53.6 -65.4 -39.2 30.2 35.4 -21.3 291 141 B R H X S+ 0 0 44 -4,-2.6 4,-2.5 2,-0.2 -2,-0.3 0.916 107.2 51.4 -60.5 -41.4 30.0 38.7 -19.5 292 142 B Y H X S+ 0 0 7 -4,-3.6 4,-2.7 1,-0.2 5,-0.2 0.972 110.7 47.8 -57.8 -54.7 26.5 37.9 -18.5 293 143 B L H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.823 110.4 51.9 -57.2 -36.5 27.5 34.5 -17.2 294 144 B A H X S+ 0 0 4 -4,-2.4 4,-2.7 2,-0.2 -1,-0.2 0.938 111.0 48.1 -68.5 -42.2 30.4 35.9 -15.2 295 145 B D H X S+ 0 0 10 -4,-2.5 4,-2.7 2,-0.2 -2,-0.2 0.921 111.8 48.1 -64.1 -43.3 28.0 38.5 -13.6 296 146 B M H X S+ 0 0 2 -4,-2.7 4,-2.1 2,-0.2 -1,-0.2 0.937 113.2 49.2 -62.0 -44.1 25.4 35.9 -12.7 297 147 B E H X S+ 0 0 2 -4,-2.2 4,-1.1 2,-0.2 -2,-0.2 0.921 112.2 46.5 -60.2 -46.3 28.2 33.7 -11.2 298 148 B R H >X S+ 0 0 80 -4,-2.7 4,-1.6 1,-0.2 3,-0.6 0.912 109.4 57.2 -63.2 -40.4 29.7 36.5 -9.2 299 149 B G H 3X S+ 0 0 0 -4,-2.7 4,-2.1 1,-0.3 -1,-0.2 0.899 103.8 50.9 -56.2 -43.5 26.2 37.3 -8.1 300 150 B H H 3X S+ 0 0 4 -4,-2.1 4,-2.1 1,-0.2 -1,-0.3 0.762 103.3 63.1 -66.9 -22.5 25.7 33.8 -6.7 301 151 B Y H S+ 0 0 13 -4,-1.0 5,-1.9 2,-0.2 4,-0.5 0.982 107.1 47.2 -62.9 -58.9 24.8 33.7 9.4 311 161 B L H ><5S+ 0 0 13 -4,-1.9 3,-1.0 1,-0.2 -2,-0.2 0.867 111.6 54.2 -50.8 -39.7 24.7 29.9 9.5 312 162 B L H 3<5S+ 0 0 76 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.900 108.4 45.5 -63.2 -46.7 28.2 29.9 10.9 313 163 B N T 3<5S- 0 0 56 -4,-1.9 -1,-0.3 -3,-0.3 -2,-0.2 0.374 112.4-119.3 -80.6 6.6 27.5 32.3 13.8 314 164 B W T < 5 + 0 0 174 -3,-1.0 2,-0.4 -4,-0.5 -3,-0.2 0.932 69.5 137.5 55.3 47.0 24.3 30.3 14.6 315 165 B E < - 0 0 49 -5,-1.9 2,-0.7 -6,-0.1 -1,-0.2 -0.956 48.9-146.9-123.9 142.3 22.2 33.4 13.9 316 166 B M 0 0 124 -2,-0.4 -5,-0.0 -3,-0.1 -6,-0.0 -0.793 360.0 360.0-117.4 90.9 19.0 33.5 12.0 317 167 B Y 0 0 84 -2,-0.7 -184,-0.1 -10,-0.1 -2,-0.0 -0.394 360.0 360.0 63.2 360.0 18.7 36.8 10.2