==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 28-MAR-05 1Z7U . COMPND 2 MOLECULE: HYPOTHETICAL PROTEIN EF0647; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROCOCCUS FAECALIS; . AUTHOR Y.KIM,R.WU,F.COLLART,A.JOACHIMIAK,MIDWEST CENTER FOR STRUCTU . 221 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13069.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 164 74.2 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 . 18 8.1 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 . 12 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 115 52.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.9 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 2 1 0 2 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 1 1 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 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL 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 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 -2 A S 0 0 51 0, 0.0 3,-0.1 0, 0.0 206,-0.1 0.000 360.0 360.0 360.0 -10.5 28.5 4.3 28.5 2 -1 A N + 0 0 67 1,-0.2 2,-0.1 204,-0.2 6,-0.0 0.633 360.0 166.3 63.8 18.6 32.2 4.8 28.9 3 0 A A > - 0 0 39 1,-0.1 3,-2.0 2,-0.1 -1,-0.2 -0.437 44.1-127.2 -56.4 134.6 31.8 4.5 32.7 4 1 A X T 3 S+ 0 0 192 1,-0.3 -1,-0.1 -3,-0.1 -2,-0.0 0.710 107.5 59.1 -62.1 -20.9 35.3 4.0 34.1 5 2 A T T 3 S+ 0 0 128 2,-0.1 2,-0.5 0, 0.0 -1,-0.3 0.417 87.9 93.2 -87.3 -2.6 34.1 0.8 35.9 6 3 A T S < S- 0 0 33 -3,-2.0 2,-0.8 4,-0.0 207,-0.0 -0.839 75.0-133.0 -99.4 124.6 33.1 -0.9 32.7 7 4 A D > - 0 0 94 -2,-0.5 4,-1.9 1,-0.2 5,-0.2 -0.657 18.1-158.8 -72.4 112.4 35.5 -3.2 30.8 8 5 A K H > S+ 0 0 13 -2,-0.8 4,-2.7 2,-0.2 5,-0.2 0.874 84.4 49.2 -62.9 -44.4 35.2 -2.0 27.2 9 6 A Q H > S+ 0 0 86 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.945 111.3 49.4 -63.5 -50.7 36.4 -5.2 25.4 10 7 A T H > S+ 0 0 83 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.901 116.0 43.0 -54.8 -45.1 34.2 -7.6 27.4 11 8 A S H X S+ 0 0 7 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.836 111.5 52.3 -80.9 -28.8 31.1 -5.4 26.7 12 9 A I H X S+ 0 0 5 -4,-2.7 4,-2.6 -5,-0.2 5,-0.2 0.962 113.2 47.2 -57.3 -51.9 31.9 -4.8 23.0 13 10 A N H X S+ 0 0 86 -4,-2.9 4,-2.0 1,-0.2 -2,-0.2 0.891 111.4 49.7 -55.9 -44.9 32.3 -8.6 22.7 14 11 A L H X S+ 0 0 51 -4,-2.1 4,-0.7 -5,-0.2 -1,-0.2 0.906 111.3 49.6 -64.1 -42.9 29.0 -9.3 24.5 15 12 A A H >< S+ 0 0 0 -4,-2.0 3,-1.0 1,-0.2 4,-0.3 0.931 111.7 47.7 -60.4 -47.5 27.2 -6.8 22.3 16 13 A L H >X S+ 0 0 28 -4,-2.6 3,-1.7 1,-0.2 4,-1.5 0.841 102.1 64.2 -64.3 -35.5 28.6 -8.3 19.1 17 14 A S H 3< S+ 0 0 60 -4,-2.0 4,-0.3 1,-0.3 -1,-0.2 0.721 97.6 57.0 -62.0 -23.9 27.7 -11.8 20.2 18 15 A T T << S+ 0 0 1 -3,-1.0 -1,-0.3 -4,-0.7 -2,-0.2 0.612 122.4 23.8 -78.6 -11.5 24.0 -10.9 20.1 19 16 A I T <4 S+ 0 0 8 -3,-1.7 6,-0.3 -4,-0.3 -2,-0.2 0.394 99.9 80.7-136.1 -0.1 24.2 -9.8 16.4 20 17 A N < + 0 0 118 -4,-1.5 -3,-0.1 4,-0.1 3,-0.1 0.650 65.6 108.8 -93.8 -13.9 27.1 -11.6 14.7 21 18 A G S >> S- 0 0 22 -4,-0.3 3,-1.6 -5,-0.2 4,-0.5 -0.166 87.1 -72.7 -59.4 153.4 25.3 -14.9 14.1 22 19 A K T 34 S+ 0 0 160 1,-0.2 -1,-0.2 2,-0.1 -2,-0.0 -0.184 114.9 2.4 -54.5 136.5 24.3 -15.9 10.5 23 20 A W T 3> S+ 0 0 61 -3,-0.1 4,-2.9 1,-0.1 -1,-0.2 0.107 98.7 108.8 79.8 -19.3 21.3 -13.9 9.1 24 21 A K H <> S+ 0 0 3 -3,-1.6 4,-2.5 1,-0.2 5,-0.1 0.874 77.3 47.7 -65.3 -41.8 21.0 -11.7 12.2 25 22 A L H X S+ 0 0 28 -4,-0.5 4,-2.1 -6,-0.3 -1,-0.2 0.920 114.4 47.8 -62.7 -43.8 22.3 -8.5 10.6 26 23 A S H > S+ 0 0 51 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.905 110.8 52.1 -60.7 -43.9 20.0 -9.0 7.6 27 24 A L H X S+ 0 0 0 -4,-2.9 4,-2.3 1,-0.2 -2,-0.2 0.912 109.4 49.1 -55.7 -48.2 17.1 -9.7 10.0 28 25 A X H X S+ 0 0 1 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.868 108.3 53.9 -60.2 -42.1 17.7 -6.5 11.8 29 26 A D H X S+ 0 0 53 -4,-2.1 4,-1.2 2,-0.2 -2,-0.2 0.900 110.7 47.3 -57.8 -43.7 17.9 -4.6 8.5 30 27 A E H X S+ 0 0 38 -4,-2.1 4,-0.5 1,-0.2 -2,-0.2 0.900 113.8 46.4 -66.2 -42.3 14.5 -6.0 7.5 31 28 A L H >< S+ 0 0 0 -4,-2.3 3,-0.7 1,-0.2 51,-0.4 0.809 103.4 63.6 -72.6 -31.1 12.9 -5.1 10.9 32 29 A F H 3< S+ 0 0 80 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.877 98.1 55.2 -59.9 -38.7 14.4 -1.6 10.9 33 30 A Q H 3< S- 0 0 131 -4,-1.2 2,-0.2 1,-0.3 -1,-0.2 0.786 127.5 -67.0 -64.9 -20.3 12.3 -0.7 7.8 34 31 A G S << S- 0 0 23 -3,-0.7 -1,-0.3 -4,-0.5 46,-0.1 -0.841 72.3 -32.9 150.7 165.9 9.2 -1.7 9.7 35 32 A T - 0 0 71 -2,-0.2 2,-0.4 -3,-0.1 46,-0.2 -0.130 59.8-163.6 -49.5 139.5 7.1 -4.5 11.3 36 33 A K B -A 80 0A 22 44,-2.2 44,-3.1 4,-0.0 2,-0.2 -0.984 16.6-142.9-137.4 144.5 7.4 -7.8 9.6 37 34 A R > - 0 0 116 -2,-0.4 4,-1.8 42,-0.2 3,-0.3 -0.658 37.6-104.9 -96.6 160.1 5.5 -11.2 9.4 38 35 A N H > S+ 0 0 44 40,-0.4 4,-2.5 -2,-0.2 5,-0.2 0.887 119.3 52.0 -49.7 -47.6 7.3 -14.5 9.1 39 36 A G H > S+ 0 0 29 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.858 105.8 54.1 -62.2 -40.4 6.4 -14.9 5.4 40 37 A E H > S+ 0 0 70 -3,-0.3 4,-2.9 2,-0.2 -1,-0.2 0.903 111.5 45.6 -57.2 -44.6 7.7 -11.4 4.5 41 38 A L H X S+ 0 0 0 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.868 109.9 54.6 -66.8 -40.2 11.1 -12.4 6.1 42 39 A X H < S+ 0 0 65 -4,-2.5 6,-0.3 -5,-0.2 5,-0.3 0.900 115.0 40.7 -56.6 -43.5 11.0 -15.7 4.3 43 40 A R H < S+ 0 0 178 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.924 115.7 48.1 -72.4 -47.2 10.6 -13.9 1.0 44 41 A A H < S+ 0 0 50 -4,-2.9 2,-0.9 1,-0.2 -2,-0.2 0.798 104.7 63.1 -65.8 -32.4 13.0 -11.0 1.6 45 42 A L S >< S- 0 0 10 -4,-2.1 3,-1.4 -5,-0.2 2,-0.3 -0.798 84.8-143.8-104.6 97.7 15.9 -13.3 2.8 46 43 A D T 3 S+ 0 0 149 -2,-0.9 3,-0.1 1,-0.2 -3,-0.1 -0.414 77.0 7.2 -70.0 117.9 16.9 -15.5 -0.0 47 44 A G T 3 S+ 0 0 70 1,-0.4 2,-0.4 -2,-0.3 -1,-0.2 0.450 88.4 132.1 96.0 0.4 17.9 -19.0 0.9 48 45 A I < - 0 0 8 -3,-1.4 -1,-0.4 -6,-0.3 2,-0.2 -0.695 48.2-140.9 -80.5 136.4 17.0 -18.9 4.6 49 46 A T > - 0 0 78 -2,-0.4 4,-2.8 -3,-0.1 5,-0.1 -0.597 21.4-113.8 -92.7 160.0 14.9 -21.9 5.8 50 47 A Q H > S+ 0 0 74 -2,-0.2 4,-2.5 2,-0.2 5,-0.3 0.820 117.8 55.6 -61.2 -34.0 12.1 -21.6 8.3 51 48 A R H > S+ 0 0 216 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.945 111.0 43.0 -64.6 -49.2 14.1 -23.6 10.8 52 49 A V H > S+ 0 0 52 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.940 114.2 52.9 -61.5 -46.3 17.0 -21.1 10.6 53 50 A L H X S+ 0 0 0 -4,-2.8 4,-2.5 1,-0.2 5,-0.2 0.933 110.7 43.1 -55.0 -56.5 14.6 -18.1 10.6 54 51 A T H X S+ 0 0 38 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.900 112.8 55.3 -61.4 -39.0 12.7 -19.0 13.8 55 52 A D H X S+ 0 0 70 -4,-1.8 4,-2.2 -5,-0.3 -2,-0.2 0.946 110.0 45.6 -54.8 -53.2 16.0 -20.0 15.5 56 53 A R H X S+ 0 0 29 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.919 114.1 47.8 -53.6 -50.1 17.4 -16.5 14.7 57 54 A L H X S+ 0 0 4 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.817 109.6 53.7 -66.6 -32.6 14.3 -14.7 15.9 58 55 A R H X S+ 0 0 155 -4,-2.4 4,-2.3 -5,-0.2 -1,-0.2 0.935 111.4 45.0 -65.2 -48.1 14.2 -16.8 19.1 59 56 A E H X S+ 0 0 78 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.905 114.8 48.4 -62.3 -42.8 17.8 -15.8 20.0 60 57 A X H X>S+ 0 0 0 -4,-2.5 5,-2.9 2,-0.2 6,-1.1 0.852 111.8 48.4 -70.2 -36.7 17.2 -12.2 19.1 61 58 A E H ><5S+ 0 0 83 -4,-2.3 3,-0.7 4,-0.2 -1,-0.2 0.901 112.2 50.9 -63.7 -43.0 13.9 -12.1 21.2 62 59 A K H 3<5S+ 0 0 161 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.894 109.1 49.9 -58.2 -46.0 15.8 -13.7 24.1 63 60 A D H 3<5S- 0 0 40 -4,-2.2 -1,-0.2 -5,-0.1 -2,-0.2 0.554 119.6-110.8 -75.2 -11.2 18.6 -11.2 23.9 64 61 A G T <<5S+ 0 0 29 -3,-0.7 22,-0.3 -4,-0.5 21,-0.3 0.663 89.7 107.7 92.8 20.8 16.1 -8.3 23.9 65 62 A L S - 0 0 25 -18,-2.3 4,-2.7 -2,-0.3 5,-0.2 -0.265 34.4 -95.1 -72.4 171.0 12.9 -3.3 20.6 84 81 A P H > S+ 0 0 111 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.918 134.1 46.4 -52.1 -44.3 14.2 0.1 21.8 85 82 A E H > S+ 0 0 61 -21,-0.3 4,-2.3 2,-0.2 5,-0.2 0.821 108.6 57.6 -66.2 -30.8 17.6 -1.7 22.5 86 83 A G H > S+ 0 0 0 -22,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.940 109.1 43.6 -60.6 -51.0 17.2 -3.2 19.0 87 84 A Y H X S+ 0 0 89 -4,-2.7 4,-2.0 2,-0.2 -2,-0.2 0.868 111.6 54.6 -59.6 -41.1 17.0 0.2 17.5 88 85 A A H X S+ 0 0 43 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.905 110.5 45.2 -62.4 -41.2 19.9 1.4 19.6 89 86 A L H X S+ 0 0 0 -4,-2.3 4,-2.8 2,-0.2 5,-0.2 0.893 108.5 57.2 -70.7 -39.5 22.1 -1.5 18.4 90 87 A Y H X S+ 0 0 17 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.921 108.8 47.3 -50.8 -47.3 21.0 -0.8 14.9 91 88 A D H X S+ 0 0 92 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.860 110.8 49.9 -64.1 -42.2 22.3 2.8 15.3 92 89 A A H X S+ 0 0 3 -4,-1.8 4,-1.7 2,-0.2 -2,-0.2 0.896 113.1 47.3 -62.4 -43.6 25.7 1.7 16.8 93 90 A L H X S+ 0 0 3 -4,-2.8 4,-2.5 2,-0.2 -2,-0.2 0.852 109.1 53.6 -66.8 -36.3 26.2 -0.8 14.0 94 91 A S H X S+ 0 0 16 -4,-2.0 4,-2.5 -5,-0.2 -2,-0.2 0.860 106.6 53.2 -65.8 -37.5 25.3 1.9 11.4 95 92 A S H X S+ 0 0 56 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.902 112.0 44.3 -61.4 -45.5 27.9 4.2 12.9 96 93 A L H X S+ 0 0 0 -4,-1.7 4,-3.0 2,-0.2 5,-0.2 0.876 112.4 52.7 -62.8 -43.4 30.6 1.5 12.5 97 94 A C H X S+ 0 0 1 -4,-2.5 4,-1.9 2,-0.2 -2,-0.2 0.937 109.5 48.9 -56.5 -46.5 29.3 0.7 9.1 98 95 A H H X S+ 0 0 89 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.921 111.2 50.4 -63.4 -45.0 29.7 4.4 8.2 99 96 A W H X S+ 0 0 21 -4,-2.4 4,-2.7 1,-0.2 -1,-0.2 0.945 111.4 47.0 -53.6 -53.2 33.2 4.4 9.6 100 97 A G H X S+ 0 0 0 -4,-3.0 4,-2.3 1,-0.2 -1,-0.2 0.797 110.3 53.6 -64.0 -29.8 34.3 1.4 7.6 101 98 A E H X S+ 0 0 19 -4,-1.9 4,-1.8 -5,-0.2 -1,-0.2 0.938 111.2 44.7 -67.3 -49.8 32.8 2.8 4.4 102 99 A T H X S+ 0 0 75 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.948 116.0 47.6 -59.4 -49.4 34.7 6.0 4.8 103 100 A F H X S+ 0 0 12 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.910 110.3 50.6 -59.3 -47.9 37.9 4.2 5.7 104 101 A A H X S+ 0 0 43 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.849 110.0 51.3 -61.6 -35.6 37.6 1.6 2.8 105 102 A Q H X S+ 0 0 117 -4,-1.8 4,-2.2 2,-0.2 -1,-0.2 0.862 107.8 51.5 -69.9 -37.3 37.1 4.5 0.3 106 103 A K H X S+ 0 0 87 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.913 110.0 50.6 -60.6 -44.9 40.2 6.3 1.6 107 104 A K H X S+ 0 0 110 -4,-2.2 4,-0.9 1,-0.2 -2,-0.2 0.895 111.3 47.3 -61.0 -43.0 42.2 3.1 1.1 108 105 A A H < S+ 0 0 69 -4,-1.9 3,-0.4 1,-0.2 -1,-0.2 0.913 112.9 49.6 -64.4 -43.4 41.0 2.6 -2.4 109 106 A R H < S+ 0 0 220 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.859 116.5 40.2 -63.7 -40.1 41.7 6.3 -3.3 110 107 A L H < 0 0 139 -4,-2.3 -1,-0.2 -5,-0.1 -2,-0.2 0.479 360.0 360.0 -92.6 -4.3 45.3 6.2 -1.9 111 108 A N < 0 0 175 -4,-0.9 -4,-0.0 -3,-0.4 -1,-0.0 -0.746 360.0 360.0 -87.9 360.0 46.2 2.7 -3.2 112 !* 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 0.0 113 -2 B S 0 0 57 0, 0.0 -18,-0.1 0, 0.0 -19,-0.1 0.000 360.0 360.0 360.0 -4.6 25.8 5.7 5.8 114 -1 B N + 0 0 70 1,-0.2 6,-0.0 -20,-0.2 2,-0.0 0.740 360.0 168.3 59.3 26.0 23.4 2.9 4.8 115 0 B A > - 0 0 44 1,-0.1 3,-1.6 4,-0.0 -1,-0.2 -0.344 48.9-109.8 -60.3 150.7 23.7 3.9 1.2 116 1 B X T 3 S+ 0 0 205 1,-0.3 -1,-0.1 3,-0.0 -2,-0.0 0.722 114.8 50.9 -53.9 -27.7 22.3 1.4 -1.4 117 2 B T T 3 S+ 0 0 133 2,-0.1 2,-0.4 0, 0.0 -1,-0.3 0.426 88.8 93.2 -98.7 -3.3 25.7 0.5 -2.6 118 3 B T < - 0 0 35 -3,-1.6 2,-0.7 4,-0.0 3,-0.1 -0.805 66.2-139.7 -99.3 131.8 27.5 -0.3 0.7 119 4 B D > - 0 0 88 -2,-0.4 4,-2.0 1,-0.2 5,-0.1 -0.842 13.0-161.0 -84.5 115.6 27.7 -3.8 2.2 120 5 B K H > S+ 0 0 12 -2,-0.7 4,-3.0 2,-0.2 5,-0.2 0.888 85.5 55.4 -66.5 -43.5 27.2 -3.3 5.9 121 6 B Q H > S+ 0 0 118 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.940 111.8 44.0 -55.4 -52.0 28.7 -6.6 7.0 122 7 B T H > S+ 0 0 89 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.894 114.3 50.9 -60.3 -41.6 32.0 -5.9 5.1 123 8 B S H X S+ 0 0 12 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.889 111.4 47.0 -65.7 -40.6 32.0 -2.3 6.5 124 9 B I H X S+ 0 0 10 -4,-3.0 4,-2.5 2,-0.2 -2,-0.2 0.924 112.0 49.9 -64.7 -47.5 31.5 -3.4 10.1 125 10 B N H X S+ 0 0 91 -4,-2.5 4,-2.1 -5,-0.2 -2,-0.2 0.890 109.7 52.5 -59.7 -38.0 34.2 -6.1 9.8 126 11 B L H X S+ 0 0 38 -4,-2.1 4,-1.0 2,-0.2 -1,-0.2 0.917 109.4 48.0 -65.0 -45.3 36.6 -3.5 8.3 127 12 B A H >X S+ 0 0 0 -4,-1.9 3,-0.9 1,-0.2 4,-0.6 0.955 113.2 48.2 -59.2 -49.1 36.1 -1.1 11.2 128 13 B L H >X S+ 0 0 29 -4,-2.5 4,-1.1 1,-0.2 3,-0.9 0.835 103.9 61.3 -61.4 -34.3 36.5 -3.9 13.8 129 14 B S H 3< S+ 0 0 58 -4,-2.1 4,-0.5 1,-0.2 -1,-0.2 0.778 96.2 60.7 -63.6 -30.0 39.7 -5.1 12.1 130 15 B T H << S+ 0 0 2 -4,-1.0 -1,-0.2 -3,-0.9 -2,-0.2 0.717 118.1 27.4 -71.9 -23.7 41.5 -1.8 12.7 131 16 B I H << S+ 0 0 10 -3,-0.9 6,-0.5 -4,-0.6 -2,-0.2 0.405 95.8 87.5-118.1 3.0 41.1 -2.1 16.5 132 17 B N < + 0 0 118 -4,-1.1 -3,-0.1 4,-0.1 -2,-0.1 0.754 61.9 109.7 -75.9 -21.8 41.0 -5.8 17.1 133 18 B G S > S- 0 0 20 -4,-0.5 3,-1.7 1,-0.1 4,-0.4 -0.282 89.2 -89.1 -50.2 132.6 44.8 -5.9 17.3 134 19 B K T 3 S+ 0 0 150 1,-0.2 -1,-0.1 2,-0.1 -2,-0.1 -0.159 110.5 12.7 -47.6 137.9 45.9 -6.6 20.9 135 20 B W T 3> S+ 0 0 57 -3,-0.1 4,-2.8 1,-0.1 -1,-0.2 -0.025 96.4 106.0 82.8 -26.2 46.4 -3.3 23.0 136 21 B K H <> S+ 0 0 6 -3,-1.7 4,-2.7 1,-0.2 5,-0.2 0.836 77.4 48.8 -59.7 -41.4 44.6 -1.1 20.4 137 22 B L H > S+ 0 0 14 -6,-0.5 4,-2.0 -4,-0.4 -1,-0.2 0.924 114.9 47.1 -61.9 -43.9 41.3 -0.6 22.3 138 23 B S H > S+ 0 0 54 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.907 112.0 49.4 -63.4 -43.0 43.3 0.3 25.4 139 24 B L H X S+ 0 0 0 -4,-2.8 4,-2.0 2,-0.2 3,-0.3 0.963 110.4 50.3 -58.1 -52.2 45.6 2.7 23.5 140 25 B X H X S+ 0 0 1 -4,-2.7 4,-0.9 1,-0.2 -1,-0.2 0.874 109.9 51.6 -54.7 -41.1 42.6 4.4 22.0 141 26 B D H < S+ 0 0 62 -4,-2.0 4,-0.5 1,-0.2 3,-0.3 0.870 109.3 49.5 -61.8 -40.7 41.1 4.8 25.5 142 27 B E H < S+ 0 0 64 -4,-2.0 4,-0.3 -3,-0.3 -2,-0.2 0.811 111.9 49.7 -68.1 -30.7 44.4 6.3 26.8 143 28 B L H >< S+ 0 0 0 -4,-2.0 3,-0.7 -5,-0.2 51,-0.6 0.645 87.6 87.0 -83.7 -16.5 44.4 8.8 23.9 144 29 B F T 3< S+ 0 0 59 -4,-0.9 -1,-0.2 -3,-0.3 -2,-0.1 0.904 86.6 48.6 -52.0 -54.9 40.8 10.0 24.3 145 30 B Q T 3 S- 0 0 167 -4,-0.5 2,-0.3 -3,-0.2 -1,-0.2 0.738 122.4 -96.5 -65.0 -21.2 41.3 12.8 26.9 146 31 B G S < S+ 0 0 15 -3,-0.7 -1,-0.2 -4,-0.3 46,-0.1 -0.966 75.2 23.9 145.6-151.2 44.2 14.1 24.8 147 32 B T - 0 0 61 -2,-0.3 2,-0.4 -3,-0.1 46,-0.2 -0.077 51.7-175.6 -60.2 134.4 47.9 14.2 24.2 148 33 B K B -C 192 0B 42 44,-2.3 44,-3.2 -5,-0.0 2,-0.2 -0.992 15.7-144.2-130.5 139.0 50.1 11.4 25.5 149 34 B R > - 0 0 110 -2,-0.4 4,-1.9 42,-0.2 3,-0.2 -0.595 35.4-105.1 -91.7 159.5 53.9 10.8 25.5 150 35 B N H > S+ 0 0 34 40,-0.5 4,-2.2 1,-0.2 5,-0.1 0.854 118.9 52.1 -52.3 -42.4 55.4 7.4 25.0 151 36 B G H > S+ 0 0 12 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.878 107.1 52.1 -64.0 -43.6 56.3 7.0 28.7 152 37 B E H > S+ 0 0 76 -3,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.926 112.0 46.3 -57.6 -47.5 52.8 7.8 29.9 153 38 B L H X S+ 0 0 0 -4,-1.9 4,-1.4 1,-0.2 -2,-0.2 0.898 110.9 53.2 -62.7 -41.6 51.3 5.1 27.5 154 39 B X H < S+ 0 0 58 -4,-2.2 6,-0.3 1,-0.2 -1,-0.2 0.873 112.2 44.1 -58.6 -41.6 54.0 2.6 28.7 155 40 B R H < S+ 0 0 190 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.743 111.4 54.0 -78.3 -25.6 53.1 3.1 32.3 156 41 B A H < S+ 0 0 45 -4,-1.5 2,-0.7 1,-0.2 -1,-0.2 0.721 102.9 59.5 -83.9 -23.5 49.3 3.1 31.7 157 42 B L S >< S- 0 0 9 -4,-1.4 3,-1.8 -5,-0.1 -1,-0.2 -0.839 84.0-142.3-114.2 95.1 49.3 -0.3 29.9 158 43 B D T 3 S+ 0 0 155 -2,-0.7 3,-0.1 1,-0.2 -3,-0.1 -0.298 81.2 10.7 -58.0 122.4 50.7 -3.0 32.2 159 44 B G T 3 S+ 0 0 61 1,-0.3 2,-0.3 -5,-0.2 -1,-0.2 0.358 86.6 134.2 93.4 -6.5 52.9 -5.5 30.4 160 45 B I < - 0 0 9 -3,-1.8 -1,-0.3 -6,-0.3 2,-0.2 -0.607 47.1-142.1 -75.5 134.1 53.2 -3.7 27.1 161 46 B T > - 0 0 76 -2,-0.3 4,-2.5 1,-0.1 5,-0.2 -0.633 21.9-114.3 -91.1 157.8 56.8 -3.7 25.8 162 47 B Q H > S+ 0 0 79 -2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.909 115.9 58.4 -56.2 -42.4 58.3 -0.7 24.0 163 48 B R H > S+ 0 0 176 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.920 111.3 37.3 -51.9 -53.0 58.5 -2.8 20.9 164 49 B V H > S+ 0 0 23 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.826 112.3 58.4 -81.1 -25.9 54.8 -3.7 20.7 165 50 B L H X S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.934 111.1 43.2 -58.6 -47.1 53.7 -0.2 21.8 166 51 B T H X S+ 0 0 41 -4,-2.5 4,-2.2 -5,-0.2 -2,-0.2 0.893 112.6 53.0 -67.6 -40.0 55.6 1.2 18.9 167 52 B D H X S+ 0 0 54 -4,-2.1 4,-2.1 -5,-0.2 -2,-0.2 0.928 112.6 43.9 -59.3 -48.4 54.2 -1.5 16.5 168 53 B R H X S+ 0 0 39 -4,-2.7 4,-3.0 2,-0.2 5,-0.3 0.966 113.1 50.0 -61.2 -56.0 50.5 -0.7 17.5 169 54 B L H X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.863 111.0 51.0 -50.9 -41.7 50.9 3.1 17.4 170 55 B R H X S+ 0 0 73 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.910 111.9 46.0 -64.8 -44.6 52.5 2.7 13.9 171 56 B E H X S+ 0 0 69 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.890 113.2 49.5 -63.0 -41.2 49.6 0.6 12.7 172 57 B X H <>S+ 0 0 0 -4,-3.0 5,-3.0 2,-0.2 6,-1.1 0.857 111.5 49.8 -67.7 -35.5 47.0 2.9 14.2 173 58 B E H ><5S+ 0 0 65 -4,-2.2 3,-1.6 -5,-0.3 -2,-0.2 0.913 110.1 49.3 -64.6 -45.3 48.8 5.9 12.5 174 59 B K H 3<5S+ 0 0 125 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.865 109.5 52.7 -61.8 -36.8 48.8 4.1 9.1 175 60 B D T 3<5S- 0 0 40 -4,-2.0 -1,-0.3 -5,-0.1 -2,-0.2 0.340 118.5-115.8 -79.8 6.5 45.1 3.4 9.6 176 61 B G T < 5S+ 0 0 11 -3,-1.6 22,-0.4 2,-0.2 21,-0.3 0.668 87.5 111.6 66.2 22.5 44.5 7.1 10.2 177 62 B L S - 0 0 19 -18,-1.9 4,-2.6 -2,-0.3 5,-0.2 -0.323 33.6 -95.9 -77.6 170.8 42.6 12.0 14.8 196 81 B P H > S+ 0 0 102 0, 0.0 4,-1.7 0, 0.0 -19,-0.1 0.870 131.8 49.4 -53.6 -36.3 39.0 13.1 14.0 197 82 B E H > S+ 0 0 99 -21,-0.3 4,-2.5 2,-0.2 5,-0.2 0.886 108.3 53.0 -66.5 -43.3 38.6 9.6 12.4 198 83 B G H > S+ 0 0 0 -22,-0.4 4,-2.4 1,-0.2 -1,-0.2 0.907 110.4 47.1 -58.0 -46.7 40.0 8.0 15.5 199 84 B Y H X S+ 0 0 75 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.848 109.5 54.1 -62.9 -37.0 37.4 9.9 17.6 200 85 B A H X S+ 0 0 44 -4,-1.7 4,-1.8 2,-0.2 -2,-0.2 0.914 111.4 44.3 -65.2 -43.5 34.7 8.9 15.2 201 86 B L H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.891 111.8 53.6 -66.9 -41.8 35.6 5.2 15.6 202 87 B Y H X S+ 0 0 16 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.897 108.4 49.8 -56.4 -43.7 35.9 5.6 19.3 203 88 B D H X S+ 0 0 90 -4,-2.3 4,-1.5 2,-0.2 -2,-0.2 0.913 111.7 48.6 -60.6 -45.1 32.3 7.1 19.5 204 89 B A H X S+ 0 0 3 -4,-1.8 4,-1.6 1,-0.2 -2,-0.2 0.891 112.0 47.6 -66.2 -41.9 30.9 4.2 17.4 205 90 B L H X S+ 0 0 2 -4,-2.6 4,-3.1 1,-0.2 -1,-0.2 0.853 107.6 57.8 -66.2 -34.1 32.7 1.6 19.6 206 91 B S H X S+ 0 0 11 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.852 105.1 50.0 -61.6 -37.7 31.4 3.4 22.8 207 92 B S H X S+ 0 0 62 -4,-1.5 4,-1.4 2,-0.2 -1,-0.2 0.886 113.2 46.0 -67.2 -42.9 27.8 3.0 21.5 208 93 B L H X S+ 0 0 0 -4,-1.6 4,-1.9 -116,-0.2 -2,-0.2 0.935 113.4 50.0 -60.6 -51.3 28.4 -0.7 21.0 209 94 B C H X S+ 0 0 2 -4,-3.1 4,-2.1 1,-0.2 -2,-0.2 0.873 107.0 54.6 -53.2 -45.4 30.1 -0.9 24.4 210 95 B H H X S+ 0 0 91 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.888 107.1 52.0 -58.8 -40.4 27.1 0.8 26.1 211 96 B W H X S+ 0 0 11 -4,-1.4 4,-2.0 2,-0.2 -1,-0.2 0.918 108.7 48.2 -64.7 -46.4 24.8 -1.8 24.6 212 97 B G H X S+ 0 0 0 -4,-1.9 4,-2.7 1,-0.2 -1,-0.2 0.862 110.7 54.1 -62.3 -35.3 26.9 -4.7 25.9 213 98 B E H X S+ 0 0 24 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.937 108.6 46.1 -62.5 -50.7 27.0 -3.0 29.3 214 99 B T H X S+ 0 0 32 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.874 113.7 51.6 -58.0 -40.6 23.1 -2.7 29.5 215 100 B F H X S+ 0 0 34 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.930 110.4 45.9 -65.5 -50.9 22.8 -6.3 28.4 216 101 B A H X S+ 0 0 39 -4,-2.7 4,-1.9 2,-0.2 -2,-0.2 0.855 113.5 51.1 -59.2 -38.9 25.3 -7.7 31.0 217 102 B Q H X S+ 0 0 105 -4,-2.2 4,-1.7 2,-0.2 -2,-0.2 0.915 109.8 48.3 -66.0 -48.1 23.5 -5.6 33.7 218 103 B K H X S+ 0 0 116 -4,-2.4 4,-1.0 1,-0.2 -2,-0.2 0.911 113.2 49.0 -54.4 -47.1 20.0 -6.9 32.8 219 104 B K H < S+ 0 0 148 -4,-2.3 -2,-0.2 1,-0.2 3,-0.2 0.856 108.7 54.7 -61.1 -38.8 21.5 -10.4 32.8 220 105 B A H < S+ 0 0 65 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.820 103.6 53.3 -66.1 -36.6 23.0 -9.8 36.3 221 106 B R H < 0 0 196 -4,-1.7 -1,-0.2 -3,-0.2 -2,-0.2 0.824 360.0 360.0 -69.3 -28.9 19.8 -8.7 37.9 222 107 B L < 0 0 184 -4,-1.0 -4,-0.0 -3,-0.2 -1,-0.0 -0.436 360.0 360.0 -74.1 360.0 17.9 -11.9 36.9