==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 21-FEB-07 2OY9 . COMPND 2 MOLECULE: UPF0223 PROTEIN BH2638; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS HALODURANS C-125; . AUTHOR R.SUGADEV,S.K.BURLEY,S.SWAMINATHAN,NEW YORK SGX RESEARCH . 167 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10403.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 120 71.9 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 . 6 3.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 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 . 6 3.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 9 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 95 56.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.2 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 2 0 1 0 3 0 0 0 2 0 0 0 0 0 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 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 6 A T 0 0 188 0, 0.0 3,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 6.9 4.8 49.1 15.6 2 7 A L - 0 0 152 1,-0.1 2,-0.5 0, 0.0 0, 0.0 -0.483 360.0-105.4 -70.3 140.3 6.9 51.3 17.8 3 8 A P - 0 0 124 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.568 42.9-127.4 -71.5 117.1 4.8 53.3 20.4 4 9 A I - 0 0 76 -2,-0.5 2,-0.4 48,-0.0 0, 0.0 -0.380 28.1-178.2 -70.9 140.2 4.7 56.8 19.1 5 10 A S - 0 0 106 -2,-0.1 2,-0.5 2,-0.0 0, 0.0 -0.989 16.4-143.7-134.6 139.8 5.6 59.9 21.1 6 11 A L - 0 0 69 -2,-0.4 2,-0.6 2,-0.0 -2,-0.0 -0.924 12.4-169.8-116.4 132.0 5.4 63.4 19.7 7 12 A D + 0 0 156 -2,-0.5 2,-0.3 0, 0.0 -2,-0.0 -0.854 26.6 159.0-119.3 91.3 7.7 66.3 20.4 8 13 A W - 0 0 60 -2,-0.6 2,-0.1 1,-0.0 -2,-0.0 -0.803 39.1-115.6-114.9 156.3 6.2 69.5 19.0 9 14 A S > - 0 0 36 -2,-0.3 4,-2.0 1,-0.1 5,-0.2 -0.353 39.4-101.5 -79.3 167.9 6.6 73.2 19.7 10 15 A T H > S+ 0 0 119 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.922 123.9 47.3 -56.2 -48.2 3.8 75.2 21.2 11 16 A E H > S+ 0 0 77 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.843 109.1 55.0 -64.9 -32.9 2.9 76.8 17.8 12 17 A E H > S+ 0 0 16 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.873 103.5 54.8 -69.4 -36.0 3.0 73.3 16.2 13 18 A V H X S+ 0 0 64 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.956 110.4 46.6 -60.0 -47.0 0.5 71.9 18.7 14 19 A I H X S+ 0 0 71 -4,-1.8 4,-2.7 1,-0.2 -2,-0.2 0.864 107.7 56.4 -64.5 -34.6 -1.8 74.8 17.7 15 20 A D H X S+ 0 0 3 -4,-2.0 4,-1.4 1,-0.2 -1,-0.2 0.902 109.6 46.5 -63.0 -38.2 -1.2 74.1 14.0 16 21 A V H X S+ 0 0 9 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.896 109.9 53.3 -70.3 -38.6 -2.3 70.5 14.5 17 22 A V H X S+ 0 0 63 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.943 108.7 50.3 -59.3 -46.3 -5.4 71.7 16.5 18 23 A H H X S+ 0 0 54 -4,-2.7 4,-1.6 1,-0.2 -1,-0.2 0.818 106.1 57.0 -62.3 -32.0 -6.3 74.0 13.6 19 24 A F H X S+ 0 0 0 -4,-1.4 4,-1.8 2,-0.2 -1,-0.2 0.956 109.0 43.3 -65.1 -50.8 -6.0 71.1 11.2 20 25 A F H X S+ 0 0 22 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.869 111.8 54.2 -65.1 -33.1 -8.5 68.9 13.0 21 26 A Q H X S+ 0 0 112 -4,-2.1 4,-2.3 -5,-0.2 -1,-0.2 0.856 106.1 54.5 -67.1 -30.7 -10.8 71.8 13.4 22 27 A A H X S+ 0 0 1 -4,-1.6 4,-1.7 2,-0.2 -2,-0.2 0.885 106.2 50.3 -68.4 -39.3 -10.6 72.3 9.6 23 28 A I H X S+ 0 0 0 -4,-1.8 4,-0.8 1,-0.2 -2,-0.2 0.928 111.7 48.6 -64.6 -43.3 -11.7 68.7 9.1 24 29 A E H >X S+ 0 0 62 -4,-2.2 3,-1.0 1,-0.2 4,-0.6 0.905 106.9 55.9 -62.6 -40.8 -14.6 69.3 11.4 25 30 A Q H ><>S+ 0 0 66 -4,-2.3 5,-2.4 1,-0.3 3,-1.2 0.872 98.9 61.4 -60.1 -35.7 -15.5 72.5 9.6 26 31 A A H 3<5S+ 0 0 0 -4,-1.7 59,-2.7 1,-0.3 -1,-0.3 0.811 106.7 46.3 -60.2 -29.3 -15.7 70.5 6.3 27 32 A Y H <<5S+ 0 0 73 -3,-1.0 -1,-0.3 -4,-0.8 -2,-0.2 0.509 118.5 43.3 -90.4 -7.1 -18.5 68.5 7.9 28 33 A D T <<5S- 0 0 118 -3,-1.2 -3,-0.1 -4,-0.6 -2,-0.1 0.641 136.3 -19.3-101.1-102.6 -20.3 71.5 9.3 29 34 A Q T 5S- 0 0 112 1,-0.3 -3,-0.2 -4,-0.1 -4,-0.1 0.492 101.9-109.8 -88.9 -3.8 -20.8 74.6 7.1 30 35 A G < - 0 0 3 -5,-2.4 2,-0.3 -6,-0.2 -1,-0.3 -0.203 28.2-121.0 97.3 167.8 -18.0 73.6 4.8 31 36 A I E -A 83 0A 5 52,-2.4 52,-2.8 -5,-0.2 2,-0.2 -0.991 26.6 -93.3-150.0 152.0 -14.5 75.0 4.2 32 37 A A E > -A 82 0A 42 -2,-0.3 4,-2.4 50,-0.2 3,-0.3 -0.468 30.0-132.7 -69.1 134.2 -12.4 76.5 1.4 33 38 A R H > S+ 0 0 42 48,-3.4 4,-2.6 1,-0.2 5,-0.2 0.899 106.4 52.2 -51.4 -46.2 -10.3 73.9 -0.4 34 39 A E H > S+ 0 0 78 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.859 109.7 47.4 -62.9 -37.8 -7.3 76.2 -0.2 35 40 A D H > S+ 0 0 19 -3,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.928 112.5 49.2 -70.4 -44.0 -7.5 76.7 3.5 36 41 A L H X S+ 0 0 0 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.936 114.1 44.9 -59.8 -48.5 -8.0 73.0 4.2 37 42 A L H X S+ 0 0 5 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.837 109.0 56.9 -67.8 -31.3 -5.0 72.1 2.1 38 43 A G H X S+ 0 0 1 -4,-1.7 4,-1.7 -5,-0.2 -1,-0.2 0.911 110.3 44.9 -64.9 -39.2 -2.9 74.9 3.6 39 44 A K H X S+ 0 0 20 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.838 111.9 51.4 -73.9 -31.7 -3.6 73.4 7.0 40 45 A Y H X S+ 0 0 21 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.893 107.5 53.6 -70.4 -39.1 -2.9 69.8 5.8 41 46 A R H X S+ 0 0 91 -4,-2.5 4,-0.9 1,-0.2 -2,-0.2 0.927 110.4 46.4 -59.9 -43.7 0.4 71.0 4.4 42 47 A R H >X S+ 0 0 10 -4,-1.7 4,-1.6 1,-0.2 3,-0.6 0.891 108.1 56.6 -66.0 -38.9 1.5 72.5 7.7 43 48 A F H 3X S+ 0 0 0 -4,-2.0 4,-2.8 1,-0.3 3,-0.3 0.923 107.6 49.0 -57.3 -43.3 0.3 69.3 9.5 44 49 A K H 3< S+ 0 0 49 -4,-2.3 -1,-0.3 2,-0.2 -2,-0.2 0.692 103.3 59.5 -71.9 -18.7 2.7 67.4 7.2 45 50 A E H << S+ 0 0 42 -4,-0.9 -1,-0.2 -3,-0.6 -2,-0.2 0.866 116.5 35.0 -72.1 -35.9 5.6 69.8 8.0 46 51 A I H < S+ 0 0 15 -4,-1.6 -2,-0.2 -3,-0.3 -3,-0.1 0.807 130.5 33.4 -84.9 -35.1 5.1 68.8 11.6 47 52 A V < + 0 0 0 -4,-2.8 -1,-0.2 -5,-0.2 6,-0.1 -0.629 64.3 155.9-123.6 69.8 4.2 65.1 11.0 48 53 A P + 0 0 91 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.813 49.9 96.4 -65.7 -27.7 6.2 64.1 7.9 49 54 A S > - 0 0 51 1,-0.2 4,-2.2 -3,-0.1 5,-0.1 -0.463 65.8-152.9 -67.6 125.7 6.0 60.5 8.9 50 55 A K H > S+ 0 0 156 -2,-0.3 4,-2.6 1,-0.2 -1,-0.2 0.846 96.1 55.1 -66.7 -33.7 3.2 58.6 7.2 51 56 A S H > S+ 0 0 68 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.911 109.6 45.3 -66.7 -41.2 2.9 56.2 10.2 52 57 A E H > S+ 0 0 50 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.911 113.1 51.1 -67.7 -41.5 2.5 59.0 12.7 53 58 A E H X S+ 0 0 22 -4,-2.2 4,-2.4 1,-0.2 5,-0.2 0.941 109.7 50.7 -59.1 -48.0 -0.1 60.7 10.4 54 59 A K H X S+ 0 0 113 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.910 112.4 45.6 -57.8 -44.7 -2.0 57.5 10.1 55 60 A Q H X S+ 0 0 81 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.848 111.0 52.1 -71.1 -33.4 -2.1 56.9 13.9 56 61 A L H X S+ 0 0 32 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.915 110.2 49.0 -68.6 -40.3 -3.1 60.5 14.6 57 62 A F H X S+ 0 0 22 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.931 113.1 47.9 -62.1 -44.9 -6.0 60.3 12.1 58 63 A R H X S+ 0 0 160 -4,-2.1 4,-1.4 -5,-0.2 -2,-0.2 0.912 109.9 52.2 -61.4 -44.9 -7.1 57.0 13.7 59 64 A A H < S+ 0 0 47 -4,-2.5 4,-0.5 1,-0.2 -1,-0.2 0.897 113.5 43.8 -60.2 -42.1 -6.9 58.5 17.2 60 65 A Y H >X S+ 0 0 53 -4,-2.2 3,-1.1 1,-0.2 4,-0.7 0.918 113.1 50.6 -70.6 -42.3 -9.0 61.5 16.3 61 66 A E H 3< S+ 0 0 69 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.679 94.5 72.5 -70.4 -17.9 -11.6 59.4 14.3 62 67 A Q T 3< S+ 0 0 154 -4,-1.4 -1,-0.3 1,-0.2 -2,-0.2 0.798 116.2 22.5 -66.4 -26.8 -12.0 56.9 17.2 63 68 A E T <4 S+ 0 0 167 -3,-1.1 2,-0.4 -4,-0.5 -2,-0.2 0.389 120.8 62.0-120.6 0.7 -13.9 59.7 19.0 64 69 A N S < S- 0 0 52 -4,-0.7 2,-2.3 2,-0.1 -1,-0.1 -0.993 75.9-128.2-136.7 130.3 -15.1 61.9 16.1 65 70 A D S S+ 0 0 160 -2,-0.4 2,-0.3 -3,-0.1 -4,-0.1 -0.413 73.3 96.6 -75.5 68.9 -17.4 61.1 13.2 66 71 A V - 0 0 14 -2,-2.3 2,-0.4 -5,-0.1 -2,-0.1 -0.914 64.0-133.2-146.1 169.6 -15.2 62.3 10.4 67 72 A S > - 0 0 15 -2,-0.3 4,-1.9 1,-0.1 5,-0.2 -0.935 10.3-172.2-131.9 108.6 -12.7 60.9 7.9 68 73 A C H > S+ 0 0 0 -2,-0.4 4,-2.4 2,-0.2 5,-0.3 0.923 90.0 50.7 -64.3 -43.0 -9.4 62.8 7.5 69 74 A Y H > S+ 0 0 144 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.947 111.1 46.3 -59.6 -52.4 -8.5 60.6 4.5 70 75 A Q H > S+ 0 0 114 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.874 114.2 48.9 -59.7 -39.5 -11.7 61.1 2.6 71 76 A T H X S+ 0 0 0 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.935 115.3 40.8 -68.7 -48.3 -11.8 64.8 3.2 72 77 A I H X S+ 0 0 9 -4,-2.4 4,-2.9 2,-0.2 5,-0.2 0.876 114.8 53.8 -68.3 -36.5 -8.2 65.5 2.1 73 78 A K H X S+ 0 0 83 -4,-2.6 4,-2.8 -5,-0.3 5,-0.3 0.960 110.8 45.5 -61.0 -50.5 -8.5 63.1 -0.8 74 79 A K H X S+ 0 0 68 -4,-2.3 4,-2.6 -5,-0.2 -1,-0.2 0.896 114.0 50.0 -59.1 -43.2 -11.7 64.8 -2.0 75 80 A A H < S+ 0 0 0 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.931 113.8 44.6 -62.2 -47.6 -10.0 68.2 -1.6 76 81 A R H < S+ 0 0 146 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.906 121.4 37.0 -63.9 -45.6 -6.9 67.2 -3.5 77 82 A E H < S+ 0 0 137 -4,-2.8 2,-0.3 -5,-0.2 -2,-0.2 0.847 107.5 65.5 -80.1 -37.6 -8.7 65.5 -6.4 78 83 A E < - 0 0 76 -4,-2.6 0, 0.0 -5,-0.3 0, 0.0 -0.643 65.7-149.4 -91.3 148.1 -11.7 67.7 -6.9 79 84 A X + 0 0 138 -2,-0.3 -1,-0.1 3,-0.0 -46,-0.1 0.594 57.1 115.7 -91.4 -13.5 -11.4 71.3 -8.1 80 85 A E - 0 0 106 1,-0.1 -2,-0.1 2,-0.1 -47,-0.1 -0.359 58.8-144.9 -59.8 133.9 -14.5 72.9 -6.5 81 86 A E S S+ 0 0 92 -49,-0.1 -48,-3.4 -48,-0.1 2,-0.7 0.832 82.1 68.7 -72.0 -33.9 -13.3 75.5 -4.0 82 87 A H E S-A 32 0A 97 -50,-0.2 2,-0.5 -49,-0.1 -50,-0.2 -0.793 70.2-166.0 -92.1 117.5 -16.1 75.0 -1.4 83 88 A I E +A 31 0A 2 -52,-2.8 -52,-2.4 -2,-0.7 2,-0.4 -0.892 13.8 167.5-107.1 125.5 -15.7 71.6 0.3 84 89 A Q 0 0 106 -2,-0.5 -57,-0.2 -54,-0.2 -58,-0.1 -0.981 360.0 360.0-138.9 124.4 -18.5 70.1 2.3 85 90 A X 0 0 64 -59,-2.7 -55,-0.0 -2,-0.4 -14,-0.0 -0.587 360.0 360.0 -95.7 360.0 -18.6 66.5 3.5 86 !* 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 87 9 B I 0 0 219 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 126.5 -11.8 90.9 8.8 88 10 B S - 0 0 93 1,-0.0 2,-0.3 42,-0.0 42,-0.1 -0.502 360.0-134.7 -87.6 153.2 -8.8 91.1 6.4 89 11 B L - 0 0 152 40,-0.2 2,-0.1 -2,-0.2 -1,-0.0 -0.810 19.9-116.6-104.8 145.8 -7.4 94.2 4.9 90 12 B D - 0 0 142 -2,-0.3 2,-0.3 1,-0.1 -1,-0.0 -0.392 37.7-105.5 -76.9 160.3 -6.5 94.7 1.2 91 13 B W - 0 0 89 -2,-0.1 2,-0.1 1,-0.0 -1,-0.1 -0.629 17.8-135.9 -93.5 148.0 -2.8 95.4 0.4 92 14 B S > - 0 0 43 -2,-0.3 4,-1.9 1,-0.1 5,-0.1 -0.452 36.4-104.4 -86.7 166.8 -1.2 98.6 -0.8 93 15 B T H > S+ 0 0 111 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.868 123.5 55.6 -62.6 -32.9 1.3 98.4 -3.6 94 16 B E H > S+ 0 0 120 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.903 106.3 50.1 -64.9 -40.3 4.1 98.7 -1.1 95 17 B E H > S+ 0 0 46 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.877 105.6 56.1 -67.3 -37.1 2.9 95.7 0.8 96 18 B V H X S+ 0 0 63 -4,-1.9 4,-2.2 1,-0.2 -1,-0.2 0.941 108.8 48.1 -59.1 -45.8 2.7 93.6 -2.3 97 19 B I H X S+ 0 0 83 -4,-1.9 4,-2.8 1,-0.2 -1,-0.2 0.884 107.8 54.3 -63.1 -39.2 6.4 94.3 -2.9 98 20 B D H X S+ 0 0 42 -4,-1.9 4,-1.5 1,-0.2 -1,-0.2 0.870 109.4 48.3 -63.6 -34.9 7.3 93.5 0.7 99 21 B V H X S+ 0 0 9 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.888 109.8 52.0 -71.8 -38.2 5.6 90.1 0.2 100 22 B V H X S+ 0 0 65 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.943 108.6 51.6 -61.3 -44.9 7.4 89.6 -3.1 101 23 B H H X S+ 0 0 74 -4,-2.8 4,-1.7 1,-0.2 -1,-0.2 0.850 104.9 57.5 -60.3 -35.3 10.7 90.3 -1.2 102 24 B F H X S+ 0 0 0 -4,-1.5 4,-1.8 2,-0.2 -1,-0.2 0.950 108.5 43.7 -62.4 -48.6 9.8 87.7 1.4 103 25 B F H X S+ 0 0 23 -4,-1.9 4,-2.1 1,-0.2 -1,-0.2 0.855 111.3 55.0 -67.1 -30.4 9.5 84.9 -1.1 104 26 B Q H X S+ 0 0 108 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.839 105.6 53.8 -68.9 -30.2 12.7 86.1 -2.8 105 27 B A H X S+ 0 0 1 -4,-1.7 4,-1.6 2,-0.2 -2,-0.2 0.886 106.2 51.9 -69.7 -38.6 14.4 85.8 0.5 106 28 B I H X S+ 0 0 0 -4,-1.8 4,-0.9 1,-0.2 3,-0.3 0.941 110.3 48.2 -61.8 -47.1 13.2 82.2 0.9 107 29 B E H >X S+ 0 0 57 -4,-2.1 3,-1.0 1,-0.2 4,-0.5 0.902 107.3 56.5 -59.6 -41.1 14.7 81.4 -2.5 108 30 B Q H ><>S+ 0 0 60 -4,-2.1 5,-2.4 1,-0.3 3,-1.1 0.859 98.7 61.1 -59.2 -36.0 17.9 83.1 -1.6 109 31 B A H 3<5S+ 0 0 0 -4,-1.6 59,-2.8 -3,-0.3 -1,-0.3 0.817 108.1 43.9 -61.1 -30.6 18.2 80.8 1.4 110 32 B Y H <<5S+ 0 0 67 -3,-1.0 -1,-0.3 -4,-0.9 -2,-0.2 0.459 117.8 47.8 -92.9 -3.7 18.3 77.9 -1.0 111 33 B D T <<5S- 0 0 109 -3,-1.1 -3,-0.1 -4,-0.5 -2,-0.1 0.652 135.6 -23.4-100.1-102.2 20.7 79.6 -3.4 112 34 B Q T 5S- 0 0 112 1,-0.3 -3,-0.2 -4,-0.1 2,-0.1 0.555 101.6-108.5 -90.4 -8.6 23.8 81.3 -2.0 113 35 B G < - 0 0 3 -5,-2.4 2,-0.3 -6,-0.2 -1,-0.3 -0.280 27.8-116.1 103.4 167.9 22.3 81.7 1.4 114 36 B I E -B 166 0B 2 52,-2.1 52,-3.1 -5,-0.2 2,-0.1 -0.995 26.5 -98.5-146.4 148.6 21.0 84.7 3.4 115 37 B A E > -B 165 0B 33 -2,-0.3 4,-2.5 50,-0.2 50,-0.2 -0.427 30.4-130.1 -65.9 138.5 21.9 86.5 6.6 116 38 B R H > S+ 0 0 53 48,-2.9 4,-2.7 1,-0.2 5,-0.3 0.900 109.0 52.5 -55.2 -45.1 19.7 85.5 9.5 117 39 B E H > S+ 0 0 128 47,-0.3 4,-1.7 1,-0.2 -1,-0.2 0.876 110.1 49.1 -59.6 -39.6 18.9 89.2 10.3 118 40 B D H > S+ 0 0 54 2,-0.2 4,-2.1 -3,-0.2 -2,-0.2 0.953 113.1 45.1 -65.4 -52.5 17.9 89.8 6.7 119 41 B L H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.919 113.7 48.8 -59.9 -47.1 15.5 86.8 6.5 120 42 B L H X S+ 0 0 47 -4,-2.7 4,-2.8 1,-0.2 -1,-0.2 0.856 109.6 53.8 -63.5 -33.7 13.9 87.5 9.9 121 43 B G H X S+ 0 0 39 -4,-1.7 4,-2.1 -5,-0.3 -1,-0.2 0.916 109.3 47.5 -65.9 -41.9 13.4 91.1 8.9 122 44 B K H X S+ 0 0 60 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.868 113.9 48.6 -66.0 -37.1 11.6 90.1 5.7 123 45 B Y H X S+ 0 0 25 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.899 107.5 54.0 -69.7 -42.9 9.5 87.6 7.7 124 46 B R H X S+ 0 0 178 -4,-2.8 4,-1.1 1,-0.2 -2,-0.2 0.937 112.3 44.7 -56.5 -45.8 8.7 90.2 10.4 125 47 B R H >X S+ 0 0 73 -4,-2.1 4,-1.6 1,-0.2 3,-0.6 0.912 110.1 55.1 -65.3 -42.1 7.4 92.5 7.6 126 48 B F H 3X S+ 0 0 0 -4,-2.2 4,-2.7 1,-0.2 -1,-0.2 0.906 108.2 49.4 -57.1 -42.5 5.5 89.6 6.0 127 49 B K H 3< S+ 0 0 43 -4,-2.7 -1,-0.2 2,-0.2 -2,-0.2 0.718 103.6 58.7 -72.5 -20.6 3.7 88.9 9.2 128 50 B E H << S+ 0 0 105 -4,-1.1 -1,-0.2 -3,-0.6 -2,-0.2 0.882 116.4 35.9 -71.4 -36.4 2.7 92.6 9.7 129 51 B I H < S+ 0 0 11 -4,-1.6 -2,-0.2 1,-0.2 -40,-0.2 0.817 128.4 35.6 -83.4 -35.0 1.0 92.2 6.3 130 52 B V < + 0 0 0 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.1 -0.699 64.1 157.0-121.9 74.3 -0.2 88.7 6.8 131 53 B P + 0 0 99 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.749 47.3 100.0 -70.7 -22.7 -1.1 88.3 10.5 132 54 B S > - 0 0 47 1,-0.2 4,-1.9 -3,-0.1 5,-0.1 -0.478 62.3-155.3 -68.9 127.5 -3.4 85.4 9.8 133 55 B K H > S+ 0 0 63 -2,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.880 97.8 52.5 -68.2 -37.5 -1.9 82.0 10.5 134 56 B S H > S+ 0 0 30 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.916 108.7 47.7 -65.0 -44.0 -4.3 80.5 8.0 135 57 B E H > S+ 0 0 57 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.891 109.8 54.3 -65.7 -37.9 -3.4 83.0 5.2 136 58 B E H X S+ 0 0 5 -4,-1.9 4,-2.8 1,-0.2 -1,-0.2 0.943 108.4 48.7 -59.5 -47.6 0.3 82.3 5.9 137 59 B K H X S+ 0 0 3 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.872 111.5 49.9 -61.2 -37.9 -0.2 78.6 5.4 138 60 B Q H X S+ 0 0 43 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.916 112.0 46.7 -67.8 -44.1 -2.1 79.1 2.2 139 61 B L H X S+ 0 0 46 -4,-2.6 4,-2.5 2,-0.2 5,-0.2 0.923 112.1 51.5 -64.2 -43.7 0.6 81.4 0.7 140 62 B F H X S+ 0 0 7 -4,-2.8 4,-2.3 -5,-0.2 -2,-0.2 0.938 112.0 45.4 -59.0 -48.5 3.3 79.0 1.7 141 63 B R H X S+ 0 0 21 -4,-2.2 4,-0.9 1,-0.2 -1,-0.2 0.919 112.3 51.2 -63.5 -42.1 1.6 76.0 0.1 142 64 B A H >X S+ 0 0 32 -4,-2.3 3,-0.6 1,-0.2 4,-0.5 0.912 112.5 46.3 -61.5 -42.3 0.8 77.9 -3.1 143 65 B Y H >X S+ 0 0 50 -4,-2.5 4,-1.3 1,-0.2 3,-0.8 0.885 110.9 52.6 -67.8 -37.5 4.4 79.0 -3.4 144 66 B E H 3< S+ 0 0 30 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.610 89.8 78.8 -74.5 -12.3 5.8 75.5 -2.7 145 67 B Q H << S+ 0 0 124 -4,-0.9 -1,-0.2 -3,-0.6 -2,-0.2 0.877 112.2 21.1 -63.5 -36.7 3.6 74.1 -5.4 146 68 B E H << S+ 0 0 143 -3,-0.8 2,-0.5 -4,-0.5 -2,-0.2 0.619 121.1 64.3-106.1 -18.2 6.1 75.3 -8.0 147 69 B N S < S- 0 0 50 -4,-1.3 2,-2.2 2,-0.1 -1,-0.1 -0.929 75.9-133.9-114.6 131.2 9.2 75.7 -5.9 148 70 B D S S+ 0 0 159 -2,-0.5 2,-0.3 2,-0.1 -4,-0.1 -0.439 70.7 102.2 -79.3 68.3 11.0 72.9 -4.2 149 71 B V - 0 0 19 -2,-2.2 2,-0.5 -5,-0.2 3,-0.1 -0.867 66.7-129.7-140.9 171.6 11.4 74.7 -0.8 150 72 B S > - 0 0 17 -2,-0.3 4,-1.9 1,-0.1 5,-0.2 -0.922 14.2-174.0-129.1 103.7 9.8 74.7 2.6 151 73 B C H > S+ 0 0 0 -2,-0.5 4,-2.3 1,-0.2 5,-0.3 0.935 87.5 51.7 -62.1 -43.5 8.9 78.2 3.7 152 74 B Y H > S+ 0 0 18 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.937 111.2 43.8 -59.6 -51.6 8.0 76.9 7.2 153 75 B Q H > S+ 0 0 60 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.853 112.7 53.9 -64.9 -33.0 11.2 75.0 7.8 154 76 B T H X S+ 0 0 0 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.945 114.0 40.2 -66.2 -47.8 13.3 77.9 6.6 155 77 B I H X S+ 0 0 4 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.875 112.2 56.4 -69.3 -36.8 11.7 80.4 8.9 156 78 B K H X S+ 0 0 39 -4,-2.6 4,-2.4 -5,-0.3 5,-0.3 0.920 108.8 47.8 -60.5 -42.8 11.7 77.9 11.8 157 79 B K H X S+ 0 0 74 -4,-2.0 4,-2.8 1,-0.2 -1,-0.2 0.932 112.0 48.6 -63.2 -46.9 15.4 77.5 11.5 158 80 B A H < S+ 0 0 1 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.871 114.0 47.3 -61.7 -38.7 16.0 81.2 11.3 159 81 B R H < S+ 0 0 110 -4,-2.5 -2,-0.2 1,-0.1 -1,-0.2 0.909 122.4 31.6 -70.6 -42.5 13.9 81.8 14.4 160 82 B E H < S+ 0 0 121 -4,-2.4 2,-0.3 -5,-0.2 -2,-0.2 0.767 107.7 68.9 -90.3 -29.0 15.3 79.1 16.6 161 83 B E < - 0 0 85 -4,-2.8 0, 0.0 -5,-0.3 0, 0.0 -0.717 64.1-147.7 -97.2 145.1 19.0 78.8 15.5 162 84 B X + 0 0 157 -2,-0.3 -1,-0.1 3,-0.0 -46,-0.1 0.404 52.7 132.8 -89.4 4.1 21.6 81.5 16.2 163 85 B E - 0 0 116 -6,-0.2 -47,-0.1 1,-0.2 -2,-0.1 -0.320 50.5-148.6 -55.7 131.6 23.6 80.8 13.0 164 86 B E S S+ 0 0 153 1,-0.1 -48,-2.9 -49,-0.1 2,-0.5 0.782 82.4 50.1 -75.9 -29.0 24.3 84.1 11.3 165 87 B H E S-B 115 0B 111 -50,-0.2 2,-0.5 -49,-0.1 -50,-0.2 -0.957 75.4-153.9-116.1 125.3 24.2 82.7 7.8 166 88 B I E +B 114 0B 6 -52,-3.1 -52,-2.1 -2,-0.5 2,-0.4 -0.861 16.5 171.9-105.2 128.2 21.3 80.5 6.6 167 89 B Q 0 0 92 -2,-0.5 -57,-0.2 -54,-0.2 -58,-0.1 -0.989 360.0 360.0-134.1 121.7 21.6 77.9 3.9 168 90 B X 0 0 58 -59,-2.8 -55,-0.0 -2,-0.4 -14,-0.0 -0.663 360.0 360.0-104.8 360.0 18.9 75.5 3.1