==== 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 05-MAY-08 3D19 . COMPND 2 MOLECULE: CONSERVED METALLOPROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS CEREUS; . AUTHOR J.B.BONANNO,Y.PATSKOVSKY,J.FREEMAN,K.T.BAIN,S.CHANG,S.OZYURT . 1558 6 9 0 9 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 57235.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1350 86.6 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 . 12 0.8 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 . 33 2.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 112 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 1160 74.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 18 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 0 0 0 0 0 0 0 0 0 0 0 1 1 12 1 4 15 0 1 1 12 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 . 6 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 11 A D 0 0 142 0, 0.0 254,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 106.6 4.5 89.2 97.8 2 12 A T - 0 0 97 4,-0.0 253,-0.0 13,-0.0 0, 0.0 0.072 360.0 -82.7-123.6 25.3 3.0 85.8 97.4 3 13 A G S > S+ 0 0 5 12,-0.0 3,-1.4 13,-0.0 13,-0.1 0.331 91.4 123.4 97.9 -6.6 3.7 84.1 100.8 4 14 A V T 3 S+ 0 0 6 1,-0.3 252,-0.0 11,-0.1 248,-0.0 0.799 85.6 30.7 -60.4 -28.3 7.3 83.0 100.1 5 15 A T T 3 S+ 0 0 14 250,-0.0 -1,-0.3 251,-0.0 7,-0.1 0.170 87.0 141.4-118.2 12.4 8.7 84.9 103.1 6 16 A S < - 0 0 18 -3,-1.4 -4,-0.0 1,-0.1 9,-0.0 -0.255 38.5-161.7 -57.2 142.9 5.7 84.7 105.4 7 17 A V + 0 0 118 5,-0.1 2,-0.3 127,-0.0 -1,-0.1 0.581 59.8 109.5-100.9 -9.4 6.4 84.1 109.0 8 18 A M S > S- 0 0 108 1,-0.2 4,-2.8 2,-0.0 5,-0.3 -0.491 72.9-134.0 -65.9 126.4 2.8 82.9 109.8 9 19 A F H > S+ 0 0 64 -2,-0.3 4,-1.9 1,-0.2 5,-0.2 0.849 95.9 40.1 -59.0 -43.2 3.3 79.2 110.4 10 20 A V H > S+ 0 0 17 2,-0.2 4,-2.6 1,-0.2 5,-0.3 0.974 116.9 46.4 -74.4 -49.4 0.5 77.8 108.3 11 21 A E H > S+ 0 0 58 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.936 114.2 47.8 -56.1 -50.6 0.8 80.1 105.4 12 22 A R H X S+ 0 0 13 -4,-2.8 4,-2.9 1,-0.2 5,-0.2 0.932 111.5 52.1 -59.2 -46.3 4.5 79.7 105.2 13 23 A S H X S+ 0 0 0 -4,-1.9 4,-2.4 -5,-0.3 5,-0.2 0.929 111.8 43.9 -52.1 -55.7 4.2 75.8 105.4 14 24 A L H X S+ 0 0 1 -4,-2.6 4,-3.8 1,-0.2 5,-0.4 0.960 114.2 50.7 -59.9 -50.5 1.7 75.5 102.6 15 25 A N H X S+ 0 0 27 -4,-2.6 4,-2.3 -5,-0.3 5,-0.2 0.925 113.7 45.5 -49.9 -46.5 3.6 77.9 100.4 16 26 A E H X S+ 0 0 1 -4,-2.9 4,-2.7 -5,-0.2 5,-0.3 0.875 118.3 42.5 -70.3 -33.9 6.9 76.0 101.0 17 27 A I H X S+ 0 0 0 -4,-2.4 4,-2.1 -5,-0.2 5,-0.4 0.910 111.4 52.9 -82.3 -44.9 5.2 72.6 100.4 18 28 A R H X S+ 0 0 73 -4,-3.8 4,-1.1 -5,-0.2 -2,-0.2 0.949 118.3 39.3 -48.5 -49.7 3.1 73.7 97.5 19 29 A F H X S+ 0 0 31 -4,-2.3 4,-1.7 -5,-0.4 -2,-0.2 0.969 122.4 35.9 -71.5 -50.4 6.3 74.9 95.8 20 30 A W H X S+ 0 0 1 -4,-2.7 4,-3.1 -5,-0.2 5,-0.3 0.845 110.3 60.1 -81.8 -27.9 8.9 72.3 96.8 21 31 A S H X S+ 0 0 0 -4,-2.1 4,-2.7 -5,-0.3 -1,-0.2 0.955 107.9 47.3 -60.2 -44.0 6.7 69.3 96.6 22 32 A R H X S+ 0 0 88 -4,-1.1 4,-2.1 -5,-0.4 -2,-0.2 0.932 111.3 52.7 -63.7 -41.5 6.1 70.2 92.9 23 33 A I H X S+ 0 0 0 -4,-1.7 4,-2.6 2,-0.2 3,-0.2 0.972 111.1 44.4 -55.2 -52.8 9.8 70.6 92.6 24 34 A M H X S+ 0 0 0 -4,-3.1 4,-1.4 1,-0.3 -2,-0.2 0.872 110.4 55.5 -65.7 -37.0 10.6 67.1 94.0 25 35 A K H X S+ 0 0 24 -4,-2.7 4,-1.0 -5,-0.3 -1,-0.3 0.923 109.4 47.1 -58.6 -41.4 7.9 65.5 92.0 26 36 A E H >X S+ 0 0 6 -4,-2.1 4,-2.8 1,-0.3 3,-0.7 0.929 106.8 56.1 -72.8 -40.8 9.5 67.0 88.9 27 37 A H H 3X S+ 0 0 4 -4,-2.6 4,-2.4 1,-0.2 -1,-0.3 0.823 102.1 59.7 -49.2 -34.1 13.0 65.8 89.9 28 38 A S H 3X S+ 0 0 1 -4,-1.4 4,-0.8 -3,-0.3 -1,-0.2 0.855 110.1 40.2 -69.0 -33.7 11.4 62.3 90.1 29 39 A F H XX S+ 0 0 37 -4,-1.0 4,-1.7 -3,-0.7 3,-0.6 0.964 115.3 50.3 -75.5 -56.0 10.5 62.5 86.4 30 40 A F H 3X S+ 0 0 23 -4,-2.8 4,-0.8 1,-0.3 -2,-0.2 0.880 112.4 48.0 -49.7 -44.7 13.8 64.2 85.2 31 41 A L H >< S+ 0 0 0 -4,-2.4 3,-0.6 -5,-0.3 4,-0.4 0.866 108.4 54.2 -67.8 -31.5 15.9 61.6 87.1 32 42 A R H X< S+ 0 0 65 -4,-0.8 3,-1.6 -3,-0.6 -1,-0.3 0.866 100.4 61.0 -70.5 -32.9 13.9 58.8 85.6 33 43 A L H 3< S+ 0 0 36 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.725 102.7 51.8 -69.5 -24.2 14.5 60.1 82.1 34 44 A G T << S+ 0 0 3 -4,-0.8 72,-3.3 -3,-0.6 73,-0.6 0.449 87.3 103.5 -92.8 -4.6 18.2 59.7 82.5 35 45 A F S < S- 0 0 9 -3,-1.6 2,-0.0 -4,-0.4 -3,-0.0 -0.500 81.0-106.3 -71.8 145.5 18.1 56.1 83.7 36 46 A R > - 0 0 40 -2,-0.2 3,-1.4 1,-0.1 7,-0.2 -0.406 32.2-115.2 -65.2 153.9 19.0 53.2 81.3 37 47 A a T 3 S+ 0 0 57 1,-0.3 -1,-0.1 -3,-0.1 -2,-0.1 0.669 113.5 58.3 -68.6 -14.5 15.9 51.4 80.1 38 48 A E T 3 S+ 0 0 129 1,-0.2 2,-1.8 2,-0.1 -1,-0.3 0.606 80.3 88.8 -92.8 -11.7 17.1 48.2 81.8 39 49 A D <> + 0 0 20 -3,-1.4 4,-2.3 1,-0.2 -1,-0.2 -0.481 47.0 156.4 -81.8 64.2 17.3 49.8 85.3 40 50 A T H > + 0 0 74 -2,-1.8 4,-2.0 2,-0.2 -1,-0.2 0.681 64.7 61.4 -70.9 -17.2 13.7 49.0 86.3 41 51 A Q H > S+ 0 0 144 -3,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.997 112.0 38.7 -67.0 -61.9 14.3 49.0 90.0 42 52 A L H > S+ 0 0 15 2,-0.2 4,-2.9 1,-0.2 5,-0.3 0.898 114.4 54.5 -42.6 -53.3 15.4 52.7 89.8 43 53 A I H X S+ 0 0 30 -4,-2.3 4,-1.6 1,-0.2 -1,-0.2 0.917 113.5 43.0 -55.4 -43.9 12.7 53.5 87.2 44 54 A E H X S+ 0 0 117 -4,-2.0 4,-1.5 2,-0.2 -1,-0.2 0.895 112.4 51.8 -68.1 -43.4 10.1 52.1 89.6 45 55 A E H X S+ 0 0 56 -4,-2.9 4,-2.2 1,-0.2 -2,-0.2 0.894 111.3 48.3 -65.4 -36.1 11.6 53.8 92.6 46 56 A A H X S+ 0 0 0 -4,-2.9 4,-1.9 1,-0.2 -1,-0.2 0.838 108.0 54.6 -65.9 -37.2 11.6 57.1 90.8 47 57 A N H X S+ 0 0 56 -4,-1.6 4,-2.1 -5,-0.3 -1,-0.2 0.833 107.3 51.8 -70.0 -26.2 8.0 56.6 89.7 48 58 A Q H X S+ 0 0 149 -4,-1.5 4,-2.4 2,-0.2 -2,-0.2 0.955 109.3 47.3 -75.7 -48.8 7.0 56.1 93.3 49 59 A F H X S+ 0 0 24 -4,-2.2 4,-2.0 1,-0.2 5,-0.3 0.867 109.9 55.2 -56.5 -32.0 8.7 59.2 94.5 50 60 A Y H X S+ 0 0 62 -4,-1.9 4,-2.1 1,-0.2 -1,-0.2 0.967 110.6 45.7 -67.2 -43.9 6.9 61.0 91.6 51 61 A R H X S+ 0 0 162 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.829 109.9 54.1 -64.8 -36.5 3.6 59.7 92.9 52 62 A L H X S+ 0 0 66 -4,-2.4 4,-2.7 2,-0.2 5,-0.2 0.989 112.7 40.4 -63.9 -60.8 4.3 60.6 96.5 53 63 A F H X S+ 0 0 0 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.833 111.8 57.1 -60.2 -35.4 5.1 64.3 95.9 54 64 A E H X S+ 0 0 75 -4,-2.1 4,-1.9 -5,-0.3 -1,-0.2 0.927 110.5 46.4 -53.9 -43.9 2.2 64.5 93.4 55 65 A H H X S+ 0 0 118 -4,-1.8 4,-1.5 1,-0.2 -2,-0.2 0.971 113.2 46.7 -67.2 -52.8 0.0 63.3 96.2 56 66 A I H X S+ 0 0 11 -4,-2.7 4,-2.6 1,-0.2 -1,-0.2 0.826 109.3 55.3 -52.0 -40.5 1.5 65.8 98.8 57 67 A E H X S+ 0 0 27 -4,-2.4 4,-1.8 -5,-0.2 -1,-0.2 0.908 107.1 50.0 -64.7 -41.9 1.2 68.6 96.3 58 68 A Q H < S+ 0 0 62 -4,-1.9 4,-0.2 1,-0.2 -2,-0.2 0.807 113.8 46.2 -66.3 -26.2 -2.5 67.9 95.9 59 69 A I H >X S+ 0 0 41 -4,-1.5 4,-1.3 2,-0.2 3,-1.3 0.888 108.2 53.6 -85.8 -39.8 -3.0 67.9 99.6 60 70 A A H 3< S+ 0 0 0 -4,-2.6 3,-0.3 1,-0.3 -2,-0.2 0.889 109.9 50.8 -55.4 -37.4 -1.0 71.0 100.2 61 71 A H T 3< S+ 0 0 114 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.586 106.7 54.1 -79.1 -10.4 -3.3 72.7 97.7 62 72 A S T <4 S+ 0 0 75 -3,-1.3 -1,-0.2 -4,-0.2 -2,-0.2 0.618 95.5 81.2 -94.2 -23.8 -6.4 71.4 99.5 63 73 A Y < - 0 0 47 -4,-1.3 2,-0.2 -3,-0.3 -3,-0.0 -0.410 65.4-163.0 -80.7 162.2 -5.4 72.9 102.8 64 74 A T > - 0 0 68 -2,-0.1 3,-1.1 1,-0.0 -50,-0.1 -0.733 40.2 -92.2-136.4 179.1 -5.9 76.6 103.5 65 75 A N T 3 S+ 0 0 82 1,-0.2 -54,-0.1 -2,-0.2 -55,-0.1 0.721 123.6 61.7 -71.0 -17.3 -4.7 79.2 105.9 66 76 A E T 3 S+ 0 0 188 -56,-0.1 -1,-0.2 2,-0.1 -3,-0.0 0.483 77.3 118.0 -86.9 -4.9 -7.7 78.3 108.1 67 77 A T S < S- 0 0 29 -3,-1.1 -57,-0.0 1,-0.1 -4,-0.0 -0.317 80.9 -87.2 -64.7 146.6 -6.5 74.6 108.5 68 78 A D >> - 0 0 89 1,-0.2 4,-1.8 2,-0.1 3,-1.0 -0.334 30.0-136.4 -62.8 121.9 -5.7 73.4 112.1 69 79 A P H 3> S+ 0 0 66 0, 0.0 4,-1.1 0, 0.0 -1,-0.2 0.612 104.9 59.5 -52.4 -16.8 -2.1 74.2 113.0 70 80 A E H 3> S+ 0 0 103 2,-0.2 4,-1.8 3,-0.1 5,-0.2 0.884 103.6 48.1 -83.0 -40.2 -1.9 70.7 114.5 71 81 A Q H X> S+ 0 0 48 -3,-1.0 4,-2.7 1,-0.2 3,-0.9 0.992 113.6 48.3 -56.1 -60.6 -2.8 69.1 111.2 72 82 A I H 3X S+ 0 0 0 -4,-1.8 4,-2.8 1,-0.3 -1,-0.2 0.832 107.6 56.1 -45.7 -41.6 -0.2 71.2 109.4 73 83 A K H 3X S+ 0 0 86 -4,-1.1 4,-1.3 -5,-0.3 -1,-0.3 0.899 111.5 41.8 -65.4 -38.5 2.4 70.4 112.0 74 84 A R H X S+ 0 0 117 -4,-2.2 4,-2.5 2,-0.2 3,-0.6 0.945 113.6 47.6 -60.8 -53.6 5.4 63.6 107.2 79 89 A V H 3X S+ 0 0 1 -4,-3.3 4,-2.2 1,-0.3 -2,-0.2 0.868 109.8 55.7 -61.5 -30.5 6.5 65.8 104.2 80 90 A Q H 3X S+ 0 0 44 -4,-2.1 4,-1.5 -5,-0.3 -1,-0.3 0.835 106.2 48.4 -72.1 -31.9 9.9 66.1 106.0 81 91 A Q H X S+ 0 0 0 -4,-3.0 4,-2.7 1,-0.2 3,-1.0 0.953 107.9 51.6 -48.2 -53.9 24.8 59.6 92.9 95 105 A G H 3X S+ 0 0 17 -4,-2.5 4,-0.7 1,-0.3 -1,-0.2 0.825 109.0 50.7 -50.3 -42.4 26.9 56.7 94.4 96 106 A L H 3<>S+ 0 0 50 -4,-2.1 5,-2.7 -3,-0.3 6,-0.6 0.745 112.5 45.6 -62.4 -33.8 26.1 54.4 91.5 97 107 A I H X<5S+ 0 0 16 -4,-1.6 3,-1.5 -3,-1.0 -2,-0.2 0.893 111.0 52.0 -86.3 -40.5 27.1 57.0 88.9 98 108 A L H 3<5S+ 0 0 5 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.662 110.8 48.2 -69.0 -15.6 30.3 57.9 90.7 99 109 A T T 3<5S- 0 0 52 -4,-0.7 -1,-0.3 -5,-0.3 -2,-0.2 0.265 112.3-123.7-105.1 10.3 31.3 54.2 90.9 100 110 A b T < 5 + 0 0 48 -3,-1.5 -3,-0.2 1,-0.1 -2,-0.1 0.869 66.5 141.3 49.6 42.5 30.5 53.9 87.2 101 111 A K < + 0 0 140 -5,-2.7 -4,-0.2 1,-0.2 -1,-0.1 0.498 66.7 51.0 -84.6 -5.5 28.1 51.1 88.0 102 112 A L S > S- 0 0 14 -6,-0.6 3,-1.7 -5,-0.1 -1,-0.2 -0.376 73.7-173.6-127.4 58.9 25.6 52.5 85.4 103 113 A P T 3 S+ 0 0 61 0, 0.0 398,-0.1 0, 0.0 396,-0.0 -0.285 73.1 27.1 -60.7 133.8 27.5 53.0 82.1 104 114 A G T 3 S+ 0 0 12 1,-0.3 2,-0.1 -68,-0.0 397,-0.1 0.373 85.9 129.1 98.5 -2.7 25.2 54.7 79.5 105 115 A Q < - 0 0 10 -3,-1.7 -1,-0.3 -69,-0.1 -70,-0.2 -0.387 49.5-144.3 -78.9 165.2 22.9 56.6 81.8 106 116 A N + 0 0 39 -72,-3.3 2,-0.4 -75,-0.2 -71,-0.2 0.322 57.7 110.3-123.1 2.1 22.2 60.4 81.3 107 117 A N - 0 0 11 -73,-0.6 -2,-0.1 -76,-0.1 -76,-0.0 -0.720 66.5-127.9 -78.2 127.4 21.8 62.1 84.7 108 118 A F > - 0 0 7 -2,-0.4 4,-2.5 1,-0.1 5,-0.2 -0.514 10.9-130.7 -70.9 143.2 24.8 64.4 85.4 109 119 A P H > S+ 0 0 1 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.873 110.9 53.5 -62.1 -32.7 26.4 63.8 88.8 110 120 A L H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.917 108.7 50.6 -67.2 -38.3 26.2 67.5 89.4 111 121 A L H > S+ 0 0 23 2,-0.2 4,-2.4 1,-0.2 5,-0.3 0.984 109.8 48.0 -60.9 -53.1 22.5 67.4 88.6 112 122 A V H X S+ 0 0 0 -4,-2.5 4,-1.2 1,-0.2 3,-0.2 0.939 114.8 46.5 -51.3 -49.2 21.8 64.5 91.0 113 123 A D H X S+ 0 0 0 -4,-2.3 4,-1.3 1,-0.2 -1,-0.2 0.859 110.7 53.3 -63.8 -37.7 23.7 66.2 93.8 114 124 A H H X S+ 0 0 4 -4,-2.4 4,-1.5 1,-0.2 -1,-0.2 0.823 106.2 52.2 -63.2 -37.4 22.0 69.6 93.1 115 125 A T H X S+ 0 0 5 -4,-2.4 4,-1.7 -3,-0.2 -1,-0.2 0.786 108.0 53.4 -72.8 -19.8 18.6 67.9 93.4 116 126 A S H X S+ 0 0 2 -4,-1.2 4,-2.1 -5,-0.3 -2,-0.2 0.753 105.7 52.8 -86.4 -23.8 19.7 66.5 96.7 117 127 A R H X S+ 0 0 34 -4,-1.3 4,-1.7 2,-0.2 -2,-0.2 0.840 108.9 48.1 -74.7 -34.9 20.6 70.0 97.9 118 128 A E H X S+ 0 0 0 -4,-1.5 4,-1.9 2,-0.2 -2,-0.2 0.912 113.8 49.8 -69.3 -41.2 17.2 71.3 97.0 119 129 A A H X S+ 0 0 0 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.894 109.7 49.0 -57.9 -47.3 15.7 68.3 98.8 120 130 A D H X S+ 0 0 45 -4,-2.1 4,-3.1 2,-0.2 5,-0.2 0.878 109.3 53.6 -64.1 -37.6 17.9 68.9 101.9 121 131 A Y H X S+ 0 0 16 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.874 108.6 48.2 -64.5 -39.0 16.8 72.6 101.9 122 132 A F H X S+ 0 0 0 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.922 112.7 52.2 -61.2 -44.3 13.1 71.5 101.9 123 133 A R H X S+ 0 0 66 -4,-2.1 4,-1.8 1,-0.2 3,-0.4 0.975 112.1 41.8 -57.9 -58.8 14.0 69.2 104.7 124 134 A K H X S+ 0 0 92 -4,-3.1 4,-2.4 1,-0.2 -1,-0.2 0.839 110.4 58.0 -64.1 -34.9 15.6 71.8 106.9 125 135 A R H X S+ 0 0 15 -4,-2.1 4,-2.4 -5,-0.2 -1,-0.2 0.909 105.7 48.8 -61.9 -37.8 13.0 74.4 106.1 126 136 A L H X S+ 0 0 0 -4,-2.0 4,-3.0 -3,-0.4 5,-0.3 0.927 109.4 53.0 -73.7 -36.7 10.2 72.1 107.5 127 137 A I H X S+ 0 0 38 -4,-1.8 4,-2.9 2,-0.2 -2,-0.2 0.925 108.6 50.5 -57.5 -46.0 12.3 71.5 110.6 128 138 A Q H X>S+ 0 0 25 -4,-2.4 5,-2.8 2,-0.2 4,-1.0 0.954 112.6 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71.2-173.9-128.7 56.2 10.3 62.9 71.4 365 113 B P T 3 S+ 0 0 61 0, 0.0 -126,-0.1 0, 0.0 -128,-0.1 -0.343 76.8 29.3 -56.0 121.7 10.2 65.2 74.5 366 114 B G T 3 S+ 0 0 12 1,-0.4 -127,-0.1 -2,-0.1 -129,-0.1 0.038 85.2 132.2 114.2 -27.0 12.7 63.5 76.8 367 115 B Q < - 0 0 9 -3,-2.8 -1,-0.4 1,-0.1 -70,-0.2 -0.082 45.2-150.6 -61.3 166.3 15.1 62.0 74.3 368 116 B N + 0 0 38 -72,-2.7 2,-0.6 -75,-0.2 -71,-0.2 0.177 53.5 114.6-131.1 12.5 18.8 62.6 74.9 369 117 B N - 0 0 7 -73,-0.4 -133,-0.1 -76,-0.1 -2,-0.0 -0.812 65.3-128.4 -91.0 122.0 20.4 62.5 71.5 370 118 B F > - 0 0 9 -2,-0.6 4,-2.6 1,-0.2 5,-0.2 -0.495 11.6-137.3 -60.1 130.8 21.9 65.9 70.4 371 119 B P H > S+ 0 0 0 0, 0.0 4,-3.1 0, 0.0 5,-0.3 0.887 108.8 58.0 -58.4 -30.0 20.5 66.7 67.0 372 120 B L H > S+ 0 0 1 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.950 106.2 48.9 -63.9 -36.7 24.0 67.8 66.2 373 121 B L H > S+ 0 0 24 2,-0.2 4,-3.7 1,-0.2 5,-0.2 0.940 110.2 49.0 -68.2 -46.8 25.1 64.3 67.1 374 122 B V H X S+ 0 0 0 -4,-2.6 4,-1.9 1,-0.2 5,-0.2 0.981 115.4 44.5 -55.1 -52.5 22.5 62.7 64.9 375 123 B D H X S+ 0 0 0 -4,-3.1 4,-1.9 1,-0.2 -2,-0.2 0.906 112.8 52.5 -60.9 -38.2 23.5 64.9 62.0 376 124 B H H X S+ 0 0 6 -4,-3.1 4,-1.8 -5,-0.3 3,-0.4 0.976 108.1 50.5 -59.6 -53.2 27.2 64.2 62.8 377 125 B T H X S+ 0 0 3 -4,-3.7 4,-1.8 1,-0.2 -1,-0.2 0.873 110.7 50.1 -51.2 -36.2 26.6 60.5 62.7 378 126 B S H X S+ 0 0 0 -4,-1.9 4,-2.8 -5,-0.2 -1,-0.2 0.815 103.4 57.5 -81.8 -28.0 24.8 60.8 59.3 379 127 B R H X S+ 0 0 31 -4,-1.9 4,-2.3 -3,-0.4 -1,-0.2 0.909 109.3 46.6 -64.1 -38.6 27.6 62.8 57.8 380 128 B E H X S+ 0 0 0 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.864 109.5 54.3 -68.2 -34.3 29.9 59.9 58.7 381 129 B A H X S+ 0 0 0 -4,-1.8 4,-2.5 -5,-0.2 -2,-0.2 0.935 111.1 46.5 -61.1 -44.9 27.3 57.5 57.2 382 130 B D H X S+ 0 0 44 -4,-2.8 4,-2.6 2,-0.2 5,-0.2 0.902 108.9 53.0 -63.6 -46.5 27.4 59.6 54.0 383 131 B Y H X S+ 0 0 13 -4,-2.3 4,-2.4 2,-0.2 5,-0.2 0.970 111.0 48.0 -49.0 -57.1 31.2 59.7 53.9 384 132 B F H X S+ 0 0 0 -4,-2.2 4,-1.7 1,-0.2 -2,-0.2 0.930 111.5 49.8 -52.5 -50.3 31.3 55.9 54.2 385 133 B R H X S+ 0 0 68 -4,-2.5 4,-1.2 1,-0.2 -1,-0.2 0.911 113.2 46.2 -58.4 -43.4 28.7 55.4 51.4 386 134 B K H X S+ 0 0 91 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.841 107.6 56.4 -72.6 -31.4 30.6 57.8 49.0 387 135 B R H X S+ 0 0 21 -4,-2.4 4,-2.4 -5,-0.2 -1,-0.2 0.899 105.6 52.9 -63.2 -35.6 34.0 56.2 49.7 388 136 B L H X S+ 0 0 0 -4,-1.7 4,-2.5 1,-0.2 -1,-0.2 0.847 108.2 48.8 -75.0 -31.5 32.5 52.8 48.6 389 137 B I H X S+ 0 0 37 -4,-1.2 4,-2.7 2,-0.2 -1,-0.2 0.875 109.8 52.8 -72.2 -38.6 31.3 54.2 45.3 390 138 B Q H X>S+ 0 0 24 -4,-2.1 5,-2.5 2,-0.2 4,-0.8 0.960 112.2 45.9 -57.3 -48.0 34.7 55.8 44.7 391 139 B L H ><5S+ 0 0 7 -4,-2.4 3,-0.7 1,-0.2 -2,-0.2 0.940 116.1 44.0 -65.0 -47.6 36.3 52.4 45.3 392 140 B N H 3<5S+ 0 0 35 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.846 117.4 44.8 -64.3 -36.6 33.8 50.5 43.1 393 141 B E H 3<5S- 0 0 147 -4,-2.7 -1,-0.2 -5,-0.1 -2,-0.2 0.439 107.9-117.9 -90.5 1.2 33.8 53.0 40.2 394 142 B G T <<5S+ 0 0 71 -4,-0.8 -3,-0.2 -3,-0.7 -4,-0.1 0.937 77.1 126.5 66.9 42.0 37.7 53.5 40.2 395 143 B K < + 0 0 53 -5,-2.5 -4,-0.2 -6,-0.2 -1,-0.1 -0.153 23.9 153.6-134.4 39.4 37.1 57.2 41.0 396 144 B L - 0 0 77 -6,-0.3 6,-0.1 -5,-0.1 -9,-0.0 -0.365 53.2 -94.4 -60.0 146.8 39.2 58.0 44.1 397 145 B D - 0 0 42 1,-0.1 2,-0.1 4,-0.1 -1,-0.1 -0.329 36.6-115.8 -55.3 140.4 40.3 61.7 44.5 398 146 B A > - 0 0 62 -3,-0.1 4,-3.3 1,-0.1 3,-0.3 -0.446 41.9 -94.7 -68.2 161.7 43.7 62.7 43.2 399 147 B L H > S+ 0 0 50 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.832 121.7 52.8 -52.4 -48.9 46.1 63.9 46.0 400 148 B P H > S+ 0 0 53 0, 0.0 4,-1.1 0, 0.0 -1,-0.2 0.919 117.6 36.9 -56.6 -49.4 45.4 67.6 45.7 401 149 B D H > S+ 0 0 57 -3,-0.3 4,-3.1 2,-0.2 5,-0.3 0.856 114.0 57.1 -70.4 -39.4 41.6 67.2 46.0 402 150 B A H X S+ 0 0 4 -4,-3.3 4,-2.8 1,-0.2 5,-0.3 0.970 105.4 51.7 -54.8 -52.1 41.9 64.3 48.5 403 151 B I H X S+ 0 0 0 -4,-2.8 4,-1.2 1,-0.2 -1,-0.2 0.844 115.7 39.7 -56.6 -39.9 43.9 66.5 50.8 404 152 B I H X S+ 0 0 0 -4,-1.1 4,-2.5 -5,-0.2 -1,-0.2 0.945 117.8 46.8 -77.2 -46.8 41.4 69.3 50.8 405 153 B K H X S+ 0 0 91 -4,-3.1 4,-1.6 2,-0.2 -2,-0.2 0.822 113.6 47.7 -61.9 -36.4 38.2 67.1 50.9 406 154 B E H X S+ 0 0 5 -4,-2.8 4,-3.0 -5,-0.3 5,-0.2 0.956 114.9 43.4 -75.2 -50.1 39.4 64.9 53.7 407 155 B N H X S+ 0 0 0 -4,-1.2 4,-3.1 -5,-0.3 5,-0.4 0.926 111.3 55.2 -56.1 -49.1 40.6 67.7 56.0 408 156 B V H X S+ 0 0 34 -4,-2.5 4,-1.2 -5,-0.2 -1,-0.2 0.960 115.2 40.6 -51.8 -41.9 37.5 69.7 55.3 409 157 B F H X S+ 0 0 36 -4,-1.6 4,-1.5 -5,-0.2 3,-0.4 0.978 119.6 42.0 -70.2 -52.5 35.4 66.7 56.4 410 158 B F H X S+ 0 0 1 -4,-3.0 4,-2.6 1,-0.3 5,-0.2 0.770 107.3 59.9 -70.4 -31.3 37.5 65.6 59.3 411 159 B L H X S+ 0 0 0 -4,-3.1 4,-1.9 1,-0.2 -1,-0.3 0.898 106.1 49.4 -65.2 -35.5 38.1 69.0 60.7 412 160 B R H X S+ 0 0 33 -4,-1.2 4,-2.2 -3,-0.4 -1,-0.2 0.885 111.0 51.6 -68.7 -35.2 34.4 69.5 61.1 413 161 B I H X S+ 0 0 1 -4,-1.5 4,-2.1 2,-0.2 -2,-0.2 0.900 108.6 47.7 -68.0 -42.6 34.3 66.1 62.8 414 162 B M H X S+ 0 0 0 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.876 111.5 53.7 -64.2 -37.9 37.0 66.9 65.4 415 163 B A H X S+ 0 0 0 -4,-1.9 4,-1.4 -5,-0.2 -2,-0.2 0.952 109.5 46.2 -60.1 -50.5 35.3 70.2 66.1 416 164 B D H X S+ 0 0 0 -4,-2.2 4,-2.7 1,-0.2 -1,-0.2 0.899 110.2 55.2 -56.3 -47.3 32.0 68.5 66.8 417 165 B H H X S+ 0 0 3 -4,-2.1 4,-3.0 1,-0.3 5,-0.2 0.944 103.7 52.9 -56.9 -51.6 33.8 65.9 69.0 418 166 B A H X S+ 0 0 1 -4,-2.4 4,-2.2 1,-0.2 -1,-0.3 0.873 110.3 50.9 -51.5 -35.8 35.3 68.6 71.2 419 167 B K H X S+ 0 0 16 -4,-1.4 4,-2.9 -5,-0.2 5,-0.2 0.965 109.5 48.7 -68.8 -46.0 31.8 69.9 71.7 420 168 B F H X S+ 0 0 9 -4,-2.7 4,-2.0 1,-0.2 5,-0.2 0.924 110.7 49.6 -63.2 -47.7 30.4 66.6 72.6 421 169 B I H >X S+ 0 0 16 -4,-3.0 4,-1.8 2,-0.2 3,-0.6 0.966 113.0 48.2 -49.2 -54.8 33.1 65.9 75.1 422 170 B G H 3< S+ 0 0 9 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.898 115.4 43.7 -61.0 -42.7 32.6 69.4 76.7 423 171 B H H 3< S+ 0 0 20 -4,-2.9 -1,-0.3 1,-0.2 -2,-0.2 0.775 116.4 46.9 -70.1 -24.5 28.8 68.9 76.8 424 172 B L H << S+ 0 0 22 -4,-2.0 75,-3.0 -3,-0.6 2,-0.2 0.590 90.4 94.1-100.7 -15.4 28.9 65.4 78.2 425 173 B L B < S-B 498 0B 3 -4,-1.8 73,-0.3 73,-0.2 -317,-0.0 -0.562 94.5 -98.8 -66.7 142.9 31.5 66.1 80.8 426 174 B D > - 0 0 0 71,-2.5 3,-2.2 -2,-0.2 7,-0.2 -0.404 28.8-123.8 -61.3 138.5 29.9 66.8 84.1 427 175 B P T 3 S+ 0 0 3 0, 0.0 -1,-0.2 0, 0.0 6,-0.1 0.776 109.4 69.2 -56.2 -22.8 29.8 70.5 84.6 428 176 B S T 3 S+ 0 0 0 1,-0.2 2,-2.0 2,-0.1 3,-0.2 0.778 81.3 79.2 -67.5 -23.0 31.7 70.1 87.9 429 177 B E <> + 0 0 10 -3,-2.2 4,-2.4 1,-0.2 5,-0.2 -0.471 60.8 160.8 -78.4 68.7 34.7 69.0 85.8 430 178 B R H > + 0 0 30 -2,-2.0 4,-1.2 1,-0.2 -1,-0.2 0.782 64.6 50.4 -70.4 -32.8 35.5 72.6 85.0 431 179 B K H > S+ 0 0 91 -3,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.939 113.7 43.9 -70.1 -48.9 39.1 72.3 84.0 432 180 B L H > S+ 0 0 19 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.848 111.5 54.6 -62.5 -39.5 38.4 69.4 81.5 433 181 B V H X S+ 0 0 32 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.854 108.0 51.9 -62.6 -32.0 35.3 71.3 80.1 434 182 B D H X S+ 0 0 64 -4,-1.2 4,-2.2 -5,-0.2 -2,-0.2 0.857 108.8 48.8 -77.0 -30.2 37.6 74.2 79.5 435 183 B T H X S+ 0 0 35 -4,-1.6 4,-2.7 2,-0.2 5,-0.2 0.924 110.5 49.9 -73.4 -45.3 40.2 72.1 77.6 436 184 B A H X S+ 0 0 1 -4,-2.4 4,-3.1 2,-0.2 -2,-0.2 0.944 111.5 50.5 -53.2 -48.2 37.5 70.5 75.4 437 185 B R H X S+ 0 0 85 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.907 108.9 50.2 -64.0 -45.2 36.2 74.1 74.7 438 186 B N H X S+ 0 0 68 -4,-2.2 4,-3.0 2,-0.2 -1,-0.2 0.963 111.9 47.9 -51.0 -56.2 39.7 75.3 73.8 439 187 B F H X S+ 0 0 21 -4,-2.7 4,-2.1 2,-0.2 -2,-0.2 0.914 110.5 54.0 -50.1 -44.1 40.1 72.3 71.5 440 188 B S H X S+ 0 0 8 -4,-3.1 4,-2.6 -5,-0.2 5,-0.2 0.958 110.9 43.8 -57.4 -49.0 36.6 73.2 70.1 441 189 B N H X S+ 0 0 72 -4,-2.7 4,-1.8 1,-0.2 -1,-0.2 0.892 111.7 55.3 -58.5 -43.9 37.7 76.8 69.4 442 190 B D H X S+ 0 0 64 -4,-3.0 4,-1.6 -5,-0.2 -1,-0.2 0.877 112.0 42.2 -59.7 -39.2 40.9 75.6 67.9 443 191 B F H X S+ 0 0 0 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.813 106.5 58.3 -86.1 -33.5 39.1 73.3 65.4 444 192 B D H X S+ 0 0 26 -4,-2.6 4,-2.4 -5,-0.2 -1,-0.2 0.935 110.0 50.3 -48.5 -46.9 36.4 75.8 64.5 445 193 B E H X S+ 0 0 49 -4,-1.8 4,-1.9 -5,-0.2 -2,-0.2 0.932 112.0 42.6 -61.0 -49.0 39.4 77.9 63.4 446 194 B L H X S+ 0 0 4 -4,-1.6 4,-3.4 2,-0.2 -1,-0.2 0.913 112.1 56.3 -65.7 -42.8 41.2 75.2 61.3 447 195 B M H X S+ 0 0 7 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.929 108.4 47.4 -52.0 -47.2 37.9 74.2 59.8 448 196 B Y H X S+ 0 0 8 -4,-2.4 4,-1.8 2,-0.2 -1,-0.2 0.867 110.4 50.8 -71.4 -30.9 37.3 77.7 58.6 449 197 B Q H X S+ 0 0 10 -4,-1.9 4,-2.6 2,-0.2 5,-0.3 0.955 110.3 51.9 -60.8 -47.5 40.9 77.9 57.2 450 198 B A H X S+ 0 0 0 -4,-3.4 4,-2.1 1,-0.2 -2,-0.2 0.873 106.9 52.1 -56.5 -38.9 40.1 74.7 55.4 451 199 B I H X S+ 0 0 27 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.884 110.6 47.8 -66.5 -39.0 36.9 76.2 53.9 452 200 B D H X S+ 0 0 0 -4,-1.8 4,-1.5 2,-0.2 -2,-0.2 0.891 111.8 50.0 -67.3 -38.1 38.8 79.2 52.6 453 201 B L H < S+ 0 0 8 -4,-2.6 7,-0.3 1,-0.2 4,-0.2 0.921 110.5 51.7 -61.1 -44.7 41.5 76.9 51.1 454 202 B E H >< S+ 0 0 68 -4,-2.1 3,-1.1 -5,-0.3 -2,-0.2 0.907 108.9 47.7 -63.0 -38.4 38.8 74.9 49.5 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