==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=14-JUN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 21-NOV-12 3ZCN . COMPND 2 MOLECULE: ADENOSINE MONOPHOSPHATE-PROTEIN TRANSFERASE SOFIC . SOURCE 2 ORGANISM_SCIENTIFIC: SHEWANELLA ONEIDENSIS; . AUTHOR A.GOEPFERT,T.SCHIRMER . 738 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 32314.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 513 69.5 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 . 21 2.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 23 3.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 50 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 392 53.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 1.6 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 6 2 2 2 0 0 2 2 2 4 2 0 0 2 2 0 0 2 0 0 0 0 0 0 2 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 5 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 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 E 0 0 211 0, 0.0 9,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 128.4 -15.0 66.0 -53.0 2 3 A W - 0 0 59 245,-0.2 2,-0.3 8,-0.1 5,-0.1 -0.266 360.0-178.9 -59.1 135.1 -13.4 67.3 -49.7 3 4 A Q > - 0 0 95 3,-0.4 3,-1.4 152,-0.1 152,-0.3 -0.992 27.8-135.1-136.8 136.9 -12.0 70.8 -49.6 4 5 A A T 3 S+ 0 0 26 -2,-0.3 151,-0.1 1,-0.3 4,-0.1 0.834 103.7 42.7 -58.5 -40.2 -10.2 72.4 -46.6 5 6 A E T 3 S+ 0 0 155 149,-0.1 2,-0.4 147,-0.1 -1,-0.3 0.428 103.1 79.8 -92.1 2.1 -12.0 75.7 -46.7 6 7 A Q S < S- 0 0 116 -3,-1.4 149,-0.4 149,-0.1 -3,-0.4 -0.929 92.3-103.5-111.3 136.7 -15.5 74.3 -47.4 7 8 A A - 0 0 33 -2,-0.4 2,-2.2 1,-0.1 3,-0.3 -0.307 32.9-130.2 -53.0 125.3 -17.8 72.8 -44.8 8 9 A Y > + 0 0 33 147,-2.0 3,-1.5 1,-0.2 -1,-0.1 -0.439 48.4 154.2 -83.5 66.4 -17.5 69.0 -45.3 9 10 A N T 3 + 0 0 70 -2,-2.2 -1,-0.2 1,-0.3 -2,-0.1 0.725 68.9 61.3 -68.1 -20.7 -21.2 68.4 -45.4 10 11 A H T 3 + 0 0 161 -3,-0.3 -1,-0.3 -9,-0.1 -8,-0.1 0.049 69.5 149.8 -95.2 24.7 -20.6 65.3 -47.5 11 12 A L < - 0 0 4 -3,-1.5 236,-0.0 1,-0.1 181,-0.0 -0.432 57.0-109.9 -50.8 118.6 -18.6 63.7 -44.7 12 13 A P - 0 0 62 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.314 28.2-120.0 -61.5 134.7 -19.3 60.0 -45.4 13 14 A P - 0 0 85 0, 0.0 153,-0.1 0, 0.0 157,-0.0 -0.352 38.1 -94.2 -62.4 153.9 -21.5 58.3 -42.8 14 15 A L - 0 0 5 152,-0.2 2,-0.2 1,-0.1 6,-0.1 -0.470 44.9-109.2 -69.3 142.4 -19.9 55.3 -41.0 15 16 A P + 0 0 28 0, 0.0 -1,-0.1 0, 0.0 8,-0.0 -0.520 34.8 177.1 -72.3 142.1 -20.8 52.0 -42.7 16 17 A L + 0 0 65 -2,-0.2 -2,-0.0 4,-0.0 5,-0.0 0.532 62.4 56.3-117.4 -17.9 -23.1 49.7 -40.8 17 18 A D S >> S- 0 0 102 161,-0.0 3,-1.8 3,-0.0 4,-0.6 0.145 117.2 -49.7 -97.3-149.5 -23.5 46.8 -43.3 18 19 A S H 3> S+ 0 0 78 1,-0.3 4,-1.5 2,-0.2 3,-0.1 0.761 126.4 71.5 -63.4 -21.5 -21.0 44.5 -45.0 19 20 A K H 3> S+ 0 0 120 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.799 89.2 64.2 -62.2 -27.7 -18.9 47.5 -46.0 20 21 A L H <> S+ 0 0 2 -3,-1.8 4,-2.9 2,-0.2 5,-0.3 0.960 102.9 42.9 -63.0 -54.6 -17.9 47.9 -42.4 21 22 A A H X S+ 0 0 38 -4,-0.6 4,-2.2 1,-0.2 -1,-0.2 0.873 111.2 57.5 -59.6 -36.2 -16.0 44.6 -42.1 22 23 A E H < S+ 0 0 129 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.886 115.9 35.0 -60.8 -41.7 -14.4 45.2 -45.5 23 24 A L H < S+ 0 0 62 -4,-1.8 -2,-0.2 -3,-0.2 -1,-0.2 0.908 125.5 38.1 -75.5 -43.6 -13.0 48.5 -44.3 24 25 A A H < S+ 0 0 0 -4,-2.9 2,-0.8 -5,-0.2 -3,-0.2 0.658 102.5 67.0 -93.1 -21.3 -12.2 47.6 -40.7 25 26 A E < + 0 0 22 -4,-2.2 2,-0.3 -5,-0.3 -1,-0.2 -0.781 59.9 139.6-111.4 87.7 -10.9 44.0 -40.8 26 27 A T > - 0 0 34 -2,-0.8 4,-2.7 -3,-0.1 5,-0.3 -0.789 63.6-105.2-116.5 164.0 -7.6 43.8 -42.6 27 28 A L H > S+ 0 0 68 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.931 119.5 46.9 -59.7 -45.3 -4.6 41.7 -41.6 28 29 A P H > S+ 0 0 57 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.895 113.8 48.5 -66.0 -35.2 -2.5 44.6 -40.2 29 30 A I H > S+ 0 0 1 2,-0.2 4,-1.6 1,-0.2 -2,-0.2 0.945 114.1 45.1 -65.6 -48.3 -5.5 46.0 -38.2 30 31 A L H X S+ 0 0 1 -4,-2.7 4,-1.7 1,-0.2 -1,-0.2 0.892 109.7 55.3 -65.2 -36.5 -6.4 42.6 -36.8 31 32 A K H < S+ 0 0 66 -4,-2.6 -1,-0.2 -5,-0.3 -2,-0.2 0.868 111.7 44.6 -62.7 -36.7 -2.7 41.9 -35.9 32 33 A A H X S+ 0 0 13 -4,-1.6 4,-1.1 -5,-0.2 -1,-0.2 0.784 108.7 58.9 -74.8 -28.1 -2.5 45.1 -33.9 33 34 A C H X S+ 0 0 0 -4,-1.6 4,-2.6 1,-0.2 5,-0.2 0.837 93.4 66.5 -71.8 -34.5 -5.9 44.4 -32.3 34 35 A I H X S+ 0 0 6 -4,-1.7 4,-2.1 1,-0.2 -1,-0.2 0.952 106.1 37.1 -55.1 -58.4 -4.8 41.1 -30.7 35 36 A P H > S+ 0 0 35 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.792 114.2 58.5 -70.1 -24.3 -2.3 42.5 -28.2 36 37 A A H X S+ 0 0 0 -4,-1.1 4,-2.3 2,-0.2 -2,-0.2 0.927 109.6 42.9 -63.7 -45.6 -4.4 45.6 -27.6 37 38 A R H X S+ 0 0 39 -4,-2.6 4,-2.1 2,-0.2 -1,-0.2 0.870 113.7 52.2 -68.5 -37.2 -7.3 43.4 -26.5 38 39 A A H X S+ 0 0 7 -4,-2.1 4,-1.9 -5,-0.2 -2,-0.2 0.938 112.4 45.1 -62.4 -47.7 -4.9 41.1 -24.4 39 40 A A H X S+ 0 0 4 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.895 113.1 50.0 -64.7 -40.5 -3.5 44.1 -22.6 40 41 A L H X S+ 0 0 2 -4,-2.3 4,-2.7 1,-0.2 -1,-0.2 0.873 108.9 51.8 -68.5 -34.3 -6.9 45.7 -22.0 41 42 A A H X S+ 0 0 14 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.877 108.1 52.1 -69.6 -36.3 -8.3 42.4 -20.6 42 43 A E H X S+ 0 0 22 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.942 112.3 46.3 -59.7 -48.3 -5.3 42.2 -18.2 43 44 A L H X S+ 0 0 0 -4,-2.1 4,-2.9 2,-0.2 5,-0.2 0.927 110.3 52.5 -61.5 -46.9 -6.0 45.7 -17.0 44 45 A K H X S+ 0 0 36 -4,-2.7 4,-1.9 176,-0.2 -1,-0.2 0.923 112.6 44.6 -56.0 -46.4 -9.8 45.2 -16.6 45 46 A Q H X S+ 0 0 4 -4,-2.2 4,-1.3 2,-0.2 -1,-0.2 0.896 113.3 49.5 -68.4 -40.3 -9.2 42.1 -14.5 46 47 A A H X S+ 0 0 0 -4,-2.4 4,-1.3 1,-0.2 3,-0.2 0.918 111.4 50.8 -64.5 -40.8 -6.5 43.7 -12.3 47 48 A G H < S+ 0 0 4 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.874 108.1 51.5 -64.6 -37.1 -8.8 46.8 -11.8 48 49 A E H < S+ 0 0 72 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.804 112.7 46.0 -68.5 -28.2 -11.7 44.7 -10.7 49 50 A L H < S+ 0 0 43 -4,-1.3 -1,-0.2 -3,-0.2 -2,-0.2 0.666 78.3 113.1 -93.0 -18.1 -9.7 42.8 -8.1 50 51 A L < - 0 0 7 -4,-1.3 3,-0.1 -3,-0.2 6,-0.1 -0.359 59.3-147.3 -59.7 124.4 -7.8 45.6 -6.4 51 52 A P S S+ 0 0 109 0, 0.0 2,-1.7 0, 0.0 3,-0.2 0.896 89.8 66.0 -62.3 -38.4 -9.1 45.8 -2.8 52 53 A N > + 0 0 14 1,-0.2 4,-1.0 2,-0.1 3,-0.4 -0.579 59.4 162.4 -85.3 78.4 -8.6 49.6 -2.7 53 54 A Q H > + 0 0 92 -2,-1.7 4,-2.5 1,-0.2 5,-0.3 0.821 69.3 65.0 -65.7 -32.6 -11.2 50.6 -5.3 54 55 A G H > S+ 0 0 14 1,-0.2 4,-2.6 -3,-0.2 5,-0.3 0.870 96.8 57.8 -58.8 -37.6 -11.2 54.2 -4.0 55 56 A L H >>S+ 0 0 2 -3,-0.4 4,-2.2 2,-0.2 5,-0.5 0.946 109.9 42.7 -55.1 -51.0 -7.6 54.4 -5.2 56 57 A L H X5S+ 0 0 4 -4,-1.0 4,-1.5 1,-0.2 -2,-0.2 0.934 118.8 41.9 -65.8 -46.5 -8.5 53.5 -8.7 57 58 A I H <5S+ 0 0 40 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.799 118.7 44.7 -76.8 -28.9 -11.6 55.6 -9.0 58 59 A N H <5S+ 0 0 56 -4,-2.6 4,-0.2 -5,-0.3 -1,-0.2 0.904 126.2 24.7 -74.8 -41.6 -10.2 58.7 -7.3 59 60 A L H >X5S+ 0 0 3 -4,-2.2 4,-1.6 -5,-0.3 3,-0.8 0.860 109.4 59.9-102.4 -40.8 -6.8 58.8 -9.0 60 61 A L H 3X S+ 0 0 0 0, 0.0 4,-2.1 0, 0.0 -1,-0.3 0.794 105.3 57.0 -64.1 -20.9 -9.4 59.5 -13.8 62 63 A L H <> S+ 0 0 0 -3,-0.8 4,-2.2 -4,-0.2 -2,-0.2 0.901 106.3 47.9 -72.5 -39.8 -7.2 62.4 -12.6 63 64 A L H X S+ 0 0 6 -4,-1.6 4,-2.3 2,-0.2 5,-0.2 0.937 113.9 47.0 -62.7 -47.5 -4.2 61.2 -14.7 64 65 A E H X S+ 0 0 4 -4,-2.2 4,-2.8 1,-0.2 5,-0.3 0.899 111.4 51.9 -61.8 -41.4 -6.5 60.7 -17.7 65 66 A A H X S+ 0 0 0 -4,-2.1 4,-2.1 -5,-0.2 -1,-0.2 0.876 109.2 50.9 -61.5 -38.9 -8.0 64.2 -17.2 66 67 A Q H X S+ 0 0 26 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.959 115.2 40.5 -63.4 -53.5 -4.5 65.7 -17.0 67 68 A G H X S+ 0 0 0 -4,-2.3 4,-1.2 1,-0.2 -2,-0.2 0.930 116.8 48.2 -63.5 -46.0 -3.3 64.1 -20.2 68 69 A S H X S+ 0 0 0 -4,-2.8 4,-0.6 -5,-0.2 3,-0.2 0.887 113.0 47.8 -67.3 -35.1 -6.5 64.7 -22.1 69 70 A S H ><>S+ 0 0 0 -4,-2.1 5,-2.0 -5,-0.3 3,-1.0 0.872 104.1 61.3 -71.0 -35.9 -6.7 68.3 -21.1 70 71 A E H ><5S+ 0 0 70 -4,-2.1 3,-2.2 1,-0.3 -1,-0.2 0.798 90.1 69.2 -61.5 -30.6 -3.1 69.0 -22.0 71 72 A I H 3<5S+ 0 0 2 -4,-1.2 -1,-0.3 1,-0.3 -2,-0.2 0.892 105.3 41.7 -55.3 -36.4 -3.8 68.1 -25.6 72 73 A E T <<5S- 0 0 52 -3,-1.0 -1,-0.3 -4,-0.6 -2,-0.2 0.008 126.9-100.9-101.6 28.9 -5.9 71.3 -25.8 73 74 A N T < 5S+ 0 0 116 -3,-2.2 2,-0.8 1,-0.2 -3,-0.2 0.750 78.5 137.6 62.3 29.3 -3.3 73.3 -23.8 74 75 A I < - 0 0 15 -5,-2.0 2,-0.4 -8,-0.1 -1,-0.2 -0.925 39.5-169.4-101.5 105.2 -5.1 73.2 -20.5 75 76 A V + 0 0 71 -2,-0.8 2,-0.3 -3,-0.1 19,-0.1 -0.858 23.6 135.2-115.0 130.4 -2.1 72.5 -18.3 76 77 A T - 0 0 8 -2,-0.4 2,-0.3 -10,-0.1 -6,-0.0 -0.853 47.7-100.2-148.5-178.2 -1.8 71.5 -14.7 77 78 A T > - 0 0 68 -2,-0.3 4,-2.2 1,-0.1 5,-0.2 -0.868 19.6-128.6-111.4 150.1 0.2 68.9 -12.7 78 79 A T H > S+ 0 0 25 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.848 113.1 59.7 -62.9 -31.7 -1.0 65.6 -11.4 79 80 A D H > S+ 0 0 49 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.933 105.9 45.5 -57.6 -49.3 0.3 66.7 -8.0 80 81 A K H > S+ 0 0 67 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.889 110.9 53.6 -62.8 -38.8 -2.0 69.7 -8.1 81 82 A L H < S+ 0 0 0 -4,-2.2 4,-0.4 1,-0.2 -2,-0.2 0.889 108.9 49.2 -63.1 -39.0 -4.9 67.5 -9.2 82 83 A F H >< S+ 0 0 7 -4,-2.4 3,-0.7 1,-0.2 227,-0.4 0.896 111.4 50.3 -62.8 -41.3 -4.3 65.2 -6.2 83 84 A Q H 3< S+ 0 0 39 -4,-2.1 3,-0.3 1,-0.2 -2,-0.2 0.878 121.1 32.5 -63.9 -39.8 -4.2 68.3 -3.9 84 85 A Y T 3< S+ 0 0 44 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.206 82.6 119.1-105.8 16.8 -7.5 69.7 -5.2 85 86 A A S < S+ 0 0 16 -3,-0.7 -1,-0.2 -4,-0.4 3,-0.1 0.790 89.7 20.3 -56.7 -37.8 -9.3 66.4 -6.0 86 87 A Q S S+ 0 0 82 1,-0.3 2,-0.3 -3,-0.3 -1,-0.2 0.502 135.1 29.3-113.1 -6.2 -12.2 66.9 -3.6 87 88 A E + 0 0 85 -3,-0.2 -1,-0.3 -4,-0.1 3,-0.1 -0.858 55.9 163.4-154.3 120.4 -12.1 70.7 -3.1 88 89 A D > + 0 0 49 -2,-0.3 3,-1.5 -3,-0.1 8,-0.1 0.162 34.2 119.3-128.6 20.8 -10.9 73.2 -5.7 89 90 A S T 3 S+ 0 0 62 1,-0.3 -1,-0.1 7,-0.0 7,-0.0 0.820 88.9 42.3 -57.9 -30.0 -12.0 76.7 -4.8 90 91 A Q T 3 S+ 0 0 152 -3,-0.1 -1,-0.3 2,-0.0 -2,-0.1 0.412 91.5 110.5 -97.9 2.5 -8.4 77.8 -4.5 91 92 A A S < S- 0 0 9 -3,-1.5 -3,-0.1 1,-0.1 -10,-0.0 -0.332 75.9-101.7 -73.9 157.6 -7.1 76.0 -7.6 92 93 A D > - 0 0 53 1,-0.1 4,-2.4 -2,-0.0 5,-0.2 -0.308 39.8-100.4 -71.6 163.4 -5.9 77.9 -10.7 93 94 A P H > S+ 0 0 103 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.884 120.8 47.8 -58.1 -41.7 -8.3 78.0 -13.7 94 95 A M H > S+ 0 0 78 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.862 111.1 51.6 -69.3 -35.3 -6.6 75.3 -15.7 95 96 A T H > S+ 0 0 0 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.932 110.9 48.8 -61.9 -45.0 -6.5 73.0 -12.7 96 97 A K H X S+ 0 0 70 -4,-2.4 4,-1.6 1,-0.2 -2,-0.2 0.883 110.6 51.6 -60.8 -39.3 -10.2 73.5 -12.2 97 98 A E H X S+ 0 0 34 -4,-2.1 4,-1.2 2,-0.2 -2,-0.2 0.880 108.7 49.2 -69.0 -38.0 -10.9 72.8 -15.8 98 99 A A H X S+ 0 0 0 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.875 109.1 53.9 -65.2 -37.2 -9.0 69.5 -15.8 99 100 A L H X S+ 0 0 0 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.842 102.5 57.1 -66.8 -32.3 -10.9 68.6 -12.7 100 101 A R H X S+ 0 0 63 -4,-1.6 4,-2.5 2,-0.2 -1,-0.2 0.847 103.5 54.5 -64.6 -32.6 -14.2 69.3 -14.6 101 102 A Y H X S+ 0 0 0 -4,-1.2 4,-2.7 2,-0.2 5,-0.2 0.941 107.4 49.4 -63.1 -47.9 -13.0 66.7 -17.1 102 103 A R H X S+ 0 0 43 -4,-1.8 4,-2.8 1,-0.2 5,-0.3 0.907 111.6 50.2 -53.7 -45.8 -12.5 64.2 -14.3 103 104 A T H X S+ 0 0 38 -4,-2.2 4,-2.9 2,-0.2 5,-0.3 0.915 110.3 48.3 -63.5 -42.9 -16.0 65.0 -13.1 104 105 A A H X S+ 0 0 0 -4,-2.5 4,-2.1 2,-0.2 5,-0.3 0.932 114.0 46.7 -62.5 -45.5 -17.6 64.6 -16.6 105 106 A L H X S+ 0 0 1 -4,-2.7 4,-1.7 2,-0.2 -2,-0.2 0.942 118.7 40.3 -63.1 -48.5 -15.8 61.2 -17.1 106 107 A Y H X S+ 0 0 100 -4,-2.8 4,-2.1 -5,-0.2 -2,-0.2 0.931 115.5 48.6 -69.5 -47.6 -16.8 59.9 -13.6 107 108 A Q H X S+ 0 0 101 -4,-2.9 4,-0.9 -5,-0.3 -1,-0.2 0.914 113.6 46.8 -60.5 -43.6 -20.4 61.2 -13.5 108 109 A C H X S+ 0 0 4 -4,-2.1 4,-0.9 -5,-0.3 3,-0.5 0.877 109.6 55.8 -68.8 -33.5 -21.2 59.9 -17.0 109 110 A F H >X S+ 0 0 45 -4,-1.7 3,-0.8 -5,-0.3 4,-0.6 0.911 101.6 57.4 -58.8 -42.0 -19.6 56.6 -16.0 110 111 A T H 3< S+ 0 0 56 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.778 113.6 38.5 -64.8 -24.6 -21.9 56.3 -13.0 111 112 A Q H >< S+ 0 0 104 -4,-0.9 3,-1.3 -3,-0.5 -1,-0.3 0.545 93.9 89.4 -99.0 -10.1 -25.1 56.6 -15.1 112 113 A L H X< S+ 0 0 10 -4,-0.9 3,-1.9 -3,-0.8 -2,-0.2 0.824 71.2 68.6 -61.5 -37.2 -23.7 54.5 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1,-0.3 4,-0.1 0.832 105.6 41.7 -58.2 -40.0 -3.3 6.3 -44.9 375 6 B E T 3 S+ 0 0 137 149,-0.1 2,-0.4 2,-0.1 -1,-0.3 0.380 102.8 79.2 -93.2 2.2 -1.5 2.9 -44.7 376 7 B Q S < S- 0 0 113 -3,-1.5 -3,-0.4 149,-0.1 149,-0.4 -0.947 93.1-101.5-112.9 136.4 2.0 4.2 -45.5 377 8 B A - 0 0 33 -2,-0.4 2,-2.5 1,-0.2 3,-0.3 -0.254 33.0-129.4 -52.3 125.2 4.2 5.9 -43.0 378 9 B Y > + 0 0 24 147,-2.2 3,-1.6 1,-0.2 -1,-0.2 -0.364 47.9 155.7 -82.8 66.7 4.0 9.6 -43.8 379 10 B N T 3 + 0 0 68 -2,-2.5 -1,-0.2 1,-0.3 -2,-0.1 0.718 68.1 61.2 -66.2 -21.1 7.7 10.1 -43.9 380 11 B H T 3 + 0 0 147 -3,-0.3 -1,-0.3 2,-0.1 -8,-0.1 0.028 69.4 150.0 -95.7 25.2 7.2 13.2 -46.1 381 12 B L < - 0 0 4 -3,-1.6 236,-0.0 1,-0.1 181,-0.0 -0.413 55.8-110.1 -49.8 121.1 5.2 15.0 -43.5 382 13 B P - 0 0 55 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.387 27.5-120.1 -63.4 134.9 6.0 18.7 -44.2 383 14 B P - 0 0 85 0, 0.0 153,-0.1 0, 0.0 3,-0.0 -0.329 39.3 -93.2 -61.7 154.8 8.1 20.5 -41.7 384 15 B L - 0 0 4 152,-0.2 2,-0.2 1,-0.1 6,-0.1 -0.513 46.0-108.3 -69.7 141.9 6.5 23.5 -40.1 385 16 B P + 0 0 27 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.475 35.1 177.2 -71.9 141.2 7.3 26.8 -41.9 386 17 B L + 0 0 64 -2,-0.2 -2,-0.0 4,-0.0 5,-0.0 0.562 61.6 57.1-117.7 -18.1 9.7 29.2 -40.2 387 18 B D S >> S- 0 0 105 3,-0.0 3,-1.8 161,-0.0 4,-0.7 0.135 116.9 -51.1 -96.9-150.5 10.0 32.0 -42.8 388 19 B S H 3> S+ 0 0 80 1,-0.3 4,-1.7 2,-0.2 5,-0.1 0.723 126.1 72.1 -64.4 -19.5 7.5 34.2 -44.5 389 20 B K H 3> S+ 0 0 113 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.781 89.9 62.4 -63.2 -26.5 5.4 31.1 -45.5 390 21 B L H <> S+ 0 0 2 -3,-1.8 4,-2.9 2,-0.2 5,-0.3 0.978 105.0 42.4 -63.5 -55.5 4.4 30.9 -41.8 391 22 B A H X S+ 0 0 37 -4,-0.7 4,-2.1 1,-0.2 -1,-0.2 0.866 111.7 57.1 -59.3 -36.0 2.6 34.2 -41.7 392 23 B E H < S+ 0 0 124 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.907 116.0 35.3 -60.1 -43.6 1.1 33.5 -45.1 393 24 B L H < S+ 0 0 47 -4,-1.9 -2,-0.2 -3,-0.2 -1,-0.2 0.894 124.8 39.0 -73.8 -43.9 -0.5 30.3 -43.8 394 25 B A H < S+ 0 0 0 -4,-2.9 2,-0.8 -5,-0.2 -3,-0.2 0.658 102.3 67.7 -92.8 -21.0 -1.3 31.3 -40.2 395 26 B E < + 0 0 22 -4,-2.1 2,-0.3 -5,-0.3 -1,-0.2 -0.761 60.2 137.2-111.0 87.6 -2.5 34.9 -40.6 396 27 B T > - 0 0 34 -2,-0.8 4,-2.7 -3,-0.1 5,-0.3 -0.802 64.5-104.6-118.1 164.2 -5.8 35.0 -42.4 397 28 B L H > S+ 0 0 67 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.936 119.0 46.9 -60.2 -46.2 -8.8 37.1 -41.5 398 29 B P H > S+ 0 0 57 0, 0.0 4,-1.5 0, 0.0 -1,-0.2 0.899 114.0 48.7 -64.7 -36.4 -10.9 34.3 -40.0 399 30 B I H > S+ 0 0 1 2,-0.2 4,-1.8 1,-0.2 3,-0.2 0.954 114.0 44.5 -64.9 -48.9 -8.0 33.0 -38.0 400 31 B L H X S+ 0 0 0 -4,-2.7 4,-1.7 1,-0.2 -1,-0.2 0.882 109.6 56.7 -64.5 -36.2 -7.1 36.4 -36.6 401 32 B K H < S+ 0 0 67 -4,-2.5 -1,-0.2 -5,-0.3 -2,-0.2 0.868 111.3 43.6 -62.5 -36.1 -10.7 37.2 -35.8 402 33 B A H X S+ 0 0 13 -4,-1.5 4,-1.1 -3,-0.2 -1,-0.2 0.793 108.7 59.2 -76.0 -28.8 -10.9 34.1 -33.7 403 34 B C H X S+ 0 0 0 -4,-1.8 4,-2.7 1,-0.2 5,-0.3 0.846 93.8 66.0 -70.4 -35.1 -7.6 34.8 -32.1 404 35 B I H X S+ 0 0 6 -4,-1.7 4,-2.2 1,-0.2 -1,-0.2 0.951 106.0 38.0 -54.6 -58.4 -8.7 38.2 -30.6 405 36 B P H > S+ 0 0 35 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.804 114.4 57.5 -68.9 -25.5 -11.3 36.9 -28.2 406 37 B A H X S+ 0 0 0 -4,-1.1 4,-2.4 2,-0.2 -2,-0.2 0.934 109.7 43.3 -64.1 -46.4 -9.1 33.9 -27.3 407 38 B R H X S+ 0 0 38 -4,-2.7 4,-2.2 2,-0.2 5,-0.2 0.878 113.3 52.6 -67.3 -38.0 -6.2 36.1 -26.3 408 39 B A H X S+ 0 0 6 -4,-2.2 4,-1.8 -5,-0.3 -1,-0.2 0.935 112.3 44.8 -61.3 -47.3 -8.5 38.5 -24.4 409 40 B A H X S+ 0 0 2 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.905 113.2 50.6 -64.3 -40.0 -10.0 35.5 -22.4 410 41 B L H X S+ 0 0 1 -4,-2.4 4,-2.7 1,-0.2 -1,-0.2 0.869 109.1 50.8 -69.8 -34.2 -6.6 34.0 -21.7 411 42 B A H X S+ 0 0 15 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.868 108.3 52.4 -70.5 -36.0 -5.2 37.3 -20.4 412 43 B E H X S+ 0 0 19 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.950 112.7 45.9 -59.4 -48.2 -8.2 37.7 -18.1 413 44 B L H X S+ 0 0 0 -4,-2.2 4,-2.8 1,-0.2 5,-0.2 0.925 110.3 52.8 -61.4 -45.9 -7.5 34.2 -16.8 414 45 B K H X S+ 0 0 40 -4,-2.7 4,-1.9 176,-0.2 -1,-0.2 0.927 112.5 44.8 -56.3 -46.3 -3.7 34.8 -16.4 415 46 B Q H X S+ 0 0 4 -4,-2.2 4,-1.3 2,-0.2 -1,-0.2 0.902 113.2 49.3 -68.1 -40.8 -4.3 38.0 -14.4 416 47 B A H X S+ 0 0 0 -4,-2.4 4,-1.3 1,-0.2 3,-0.2 0.915 111.1 50.7 -64.3 -42.1 -7.0 36.4 -12.2 417 48 B G H < S+ 0 0 4 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.853 108.6 51.9 -64.2 -36.3 -4.8 33.4 -11.5 418 49 B E H < S+ 0 0 73 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.813 112.4 45.3 -69.2 -28.8 -1.8 35.6 -10.5 419 50 B L H < S+ 0 0 43 -4,-1.3 -1,-0.2 -3,-0.2 -2,-0.2 0.656 79.0 112.7 -92.9 -18.5 -3.8 37.6 -8.0 420 51 B L < - 0 0 7 -4,-1.3 3,-0.1 1,-0.2 6,-0.1 -0.364 59.9-146.8 -59.7 125.2 -5.8 34.9 -6.1 421 52 B P S S+ 0 0 105 0, 0.0 2,-1.8 0, 0.0 3,-0.2 0.906 90.4 67.0 -62.5 -37.3 -4.4 34.8 -2.6 422 53 B N > + 0 0 12 1,-0.2 4,-1.0 2,-0.1 3,-0.4 -0.559 58.5 161.8 -85.3 78.6 -5.0 31.0 -2.4 423 54 B Q H > + 0 0 88 -2,-1.8 4,-2.3 1,-0.2 5,-0.2 0.835 69.4 64.8 -65.1 -33.4 -2.4 29.9 -4.9 424 55 B G H > S+ 0 0 13 1,-0.2 4,-2.4 -3,-0.2 5,-0.3 0.853 95.8 57.9 -59.1 -38.0 -2.4 26.4 -3.5 425 56 B L H >>S+ 0 0 3 -3,-0.4 4,-2.1 2,-0.2 5,-0.5 0.939 109.9 43.5 -54.9 -49.9 -6.1 26.0 -4.6 426 57 B L H X5S+ 0 0 3 -4,-1.0 4,-1.6 1,-0.2 -2,-0.2 0.935 117.4 42.8 -66.9 -46.1 -5.1 26.7 -8.2 427 58 B I H <5S+ 0 0 39 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.803 118.5 44.4 -76.0 -28.5 -2.0 24.6 -8.4 428 59 B N H <5S+ 0 0 55 -4,-2.4 4,-0.2 -5,-0.2 -1,-0.2 0.902 126.0 25.4 -74.9 -42.0 -3.5 21.6 -6.5 429 60 B L H >X5S+ 0 0 2 -4,-2.1 4,-1.8 -5,-0.3 3,-0.6 0.856 108.9 59.9-101.8 -40.8 -6.8 21.5 -8.3 430 61 B L H 3X S+ 0 0 0 0, 0.0 4,-2.2 0, 0.0 -1,-0.3 0.815 106.3 55.9 -64.7 -21.9 -4.2 20.5 -13.0 432 63 B L H <> S+ 0 0 1 -3,-0.6 4,-2.2 -4,-0.2 -2,-0.2 0.907 107.6 47.7 -72.5 -39.7 -6.4 17.7 -11.6 433 64 B L H X S+ 0 0 3 -4,-1.8 4,-2.1 2,-0.2 5,-0.2 0.939 113.6 47.8 -62.4 -46.9 -9.3 18.9 -13.7 434 65 B E H X S+ 0 0 4 -4,-2.5 4,-2.7 1,-0.2 5,-0.3 0.897 111.1 51.5 -61.5 -40.5 -7.1 19.1 -16.8 435 66 B A H X S+ 0 0 0 -4,-2.2 4,-2.2 -5,-0.2 -1,-0.2 0.885 108.0 52.7 -63.0 -38.6 -5.7 15.6 -16.1 436 67 B Q H X S+ 0 0 22 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.967 115.2 39.1 -62.2 -53.1 -9.2 14.2 -15.8 437 68 B G H X S+ 0 0 0 -4,-2.1 4,-1.3 1,-0.2 -2,-0.2 0.911 117.1 48.4 -63.8 -45.5 -10.3 15.6 -19.2 438 69 B S H X S+ 0 0 0 -4,-2.7 4,-0.6 1,-0.2 -1,-0.2 0.881 113.4 47.6 -68.7 -34.8 -7.1 15.0 -21.1 439 70 B S H ><>S+ 0 0 0 -4,-2.2 5,-2.1 -5,-0.3 3,-1.1 0.879 104.2 61.2 -71.6 -35.7 -6.9 11.4 -19.8 440 71 B E H ><5S+ 0 0 72 -4,-2.0 3,-2.3 1,-0.3 -1,-0.2 0.811 90.6 69.3 -61.0 -30.9 -10.5 10.7 -20.7 441 72 B I H 3<5S+ 0 0 3 -4,-1.3 -1,-0.3 1,-0.3 -2,-0.2 0.871 105.3 41.0 -56.1 -36.1 -9.7 11.4 -24.4 442 73 B E T <<5S- 0 0 54 -3,-1.1 -1,-0.3 -4,-0.6 -2,-0.2 -0.008 126.5-101.4-102.4 29.1 -7.7 8.2 -24.4 443 74 B N T < 5S+ 0 0 110 -3,-2.3 2,-0.9 1,-0.2 -3,-0.2 0.726 78.1 138.3 62.5 28.5 -10.3 6.3 -22.3 444 75 B I < - 0 0 21 -5,-2.1 2,-0.5 -8,-0.1 -1,-0.2 -0.900 40.1-168.7 -99.6 104.2 -8.4 6.6 -19.1 445 76 B V + 0 0 78 -2,-0.9 2,-0.3 -3,-0.1 19,-0.1 -0.845 24.4 134.2-114.4 129.5 -11.5 7.4 -16.9 446 77 B T - 0 0 8 -2,-0.5 2,-0.3 -10,-0.2 -6,-0.0 -0.855 47.2-100.8-147.8-178.7 -11.8 8.6 -13.4 447 78 B T > - 0 0 63 -2,-0.3 4,-2.2 1,-0.1 5,-0.2 -0.848 19.1-127.5-111.9 151.5 -13.8 11.2 -11.5 448 79 B T H > S+ 0 0 23 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.870 113.6 59.4 -61.0 -34.2 -12.6 14.6 -10.3 449 80 B D H > S+ 0 0 58 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.934 106.4 45.4 -57.0 -49.8 -13.9 13.6 -6.9 450 81 B K H > S+ 0 0 86 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.896 110.3 53.7 -62.6 -40.0 -11.6 10.6 -6.9 451 82 B L H < S+ 0 0 0 -4,-2.2 4,-0.4 1,-0.2 -2,-0.2 0.909 109.1 49.7 -61.8 -40.6 -8.6 12.7 -8.0 452 83 B F H >< S+ 0 0 6 -4,-2.5 3,-0.8 1,-0.2 227,-0.4 0.905 111.0 49.8 -62.0 -42.4 -9.3 15.1 -5.2 453 84 B Q H 3< S+ 0 0 44 -4,-2.1 3,-0.3 1,-0.2 -2,-0.2 0.881 121.2 33.2 -63.9 -38.6 -9.4 12.2 -2.7 454 85 B Y T 3< S+ 0 0 42 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.199 82.1 117.9-105.7 15.5 -6.1 10.7 -3.9 455 86 B A S < S+ 0 0 17 -3,-0.8 -1,-0.2 -4,-0.4 3,-0.1 0.775 88.6 23.7 -57.2 -34.8 -4.3 14.0 -4.8 456 87 B Q S S+ 0 0 97 1,-0.3 2,-0.3 -3,-0.3 -1,-0.2 0.600 135.3 23.6-109.6 -13.6 -1.5 13.6 -2.3 457 88 B E + 0 0 92 -4,-0.2 -1,-0.3 1,-0.0 3,-0.2 -0.882 55.9 168.3-156.5 119.9 -1.5 9.8 -1.8 458 89 B D > + 0 0 53 -2,-0.3 3,-1.5 -3,-0.1 8,-0.1 0.117 36.8 118.8-126.5 21.4 -2.8 7.2 -4.2 459 90 B S T 3 S+ 0 0 61 1,-0.3 -1,-0.1 7,-0.0 7,-0.0 0.807 87.6 43.4 -58.8 -30.2 -1.7 3.8 -3.1 460 91 B Q T 3 S+ 0 0 155 -3,-0.2 -1,-0.3 2,-0.0 2,-0.1 0.386 92.8 111.2 -97.3 3.5 -5.3 2.7 -2.7 461 92 B A S < S- 0 0 9 -3,-1.5 -3,-0.1 1,-0.1 -10,-0.0 -0.397 74.8-103.7 -75.5 155.4 -6.5 4.3 -6.0 462 93 B D > - 0 0 60 -2,-0.1 4,-2.4 1,-0.1 3,-0.3 -0.303 39.2-101.0 -71.8 162.6 -7.7 2.3 -9.0 463 94 B P H > S+ 0 0 106 0, 0.0 4,-2.2 0, 0.0 5,-0.1 0.882 120.5 48.2 -57.6 -41.7 -5.3 2.0 -11.9 464 95 B M H > S+ 0 0 83 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.856 110.7 51.4 -69.3 -34.4 -7.0 4.7 -14.1 465 96 B T H > S+ 0 0 0 -3,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.935 110.4 49.6 -62.8 -44.5 -7.1 7.1 -11.3 466 97 B K H X S+ 0 0 69 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.897 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115.9 48.5 -68.1 -48.7 3.2 20.2 -12.6 477 108 B Q H X S+ 0 0 97 -4,-3.0 4,-0.8 -5,-0.3 -1,-0.2 0.898 113.6 46.6 -60.1 -43.5 6.7 18.8 -12.4 478 109 B C H >X S+ 0 0 5 -4,-2.3 4,-1.0 -5,-0.3 3,-0.6 0.883 109.5 56.2 -68.8 -33.5 7.6 20.0 -15.9 479 110 B F H >X S+ 0 0 45 -4,-1.8 3,-0.7 -5,-0.3 4,-0.6 0.905 100.7 58.4 -58.9 -41.9 6.0 23.4 -15.1 480 111 B T H 3< S+ 0 0 55 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.768 113.1 37.8 -64.7 -24.0 8.3 23.8 -12.1 481 112 B Q H X< S+ 0 0 104 -4,-0.8 3,-1.4 -3,-0.6 -1,-0.3 0.570 94.5 89.9 -99.5 -10.6 11.4 23.5 -14.3 482 113 B L H X< S+ 0 0 9 -4,-1.0 3,-1.7 -3,-0.7 -2,-0.1 0.799 71.9 66.4 -61.9 -37.1 10.0 25.4 -17.2 483 114 B S T 3< S+ 0 0 97 -4,-0.6 -1,-0.3 1,-0.3 -2,-0.1 0.724 117.2 28.4 -59.8 -21.7 11.1 29.0 -16.2 484 115 B N T < S+ 0 0 149 -3,-1.4 -1,-0.3 1,-0.2 -2,-0.2 0.086 118.9 60.1-126.4 21.7 14.8 27.9 -16.7 485 116 B R S < S- 0 0 59 -3,-1.7 -1,-0.2 -4,-0.0 3,-0.1 -0.688 79.8-140.2-149.8 88.1 14.3 25.2 -19.4 486 117 B P - 0 0 81 0, 0.0 5,-0.1 0, 0.0 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