==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-MAR-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 02-MAR-11 3QY1 . COMPND 2 MOLECULE: CARBONIC ANHYDRASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SALMONELLA ENTERICA SUBSP. ENTERICA SE . AUTHOR J.S.BRUNZELLE,Z.WAWRZAK,O.ONOPRIYENKO,W.F.ANDERSON,A.SAVCHEN . 431 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18295.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 327 75.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 40 9.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 14 3.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.5 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 . 21 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 43 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 192 44.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.9 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 4 0 1 5 0 0 0 2 0 2 0 0 0 2 4 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 2 0 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 PARALLEL BRIDGES PER LADDER . 3 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 0 0 0 1 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 3 A D > 0 0 126 0, 0.0 4,-1.1 0, 0.0 3,-0.5 0.000 360.0 360.0 360.0 175.4 15.5 -30.2 -25.2 2 4 A I H > + 0 0 28 1,-0.2 4,-1.9 2,-0.2 3,-0.4 0.872 360.0 59.8 -64.0 -38.9 17.4 -27.4 -23.3 3 5 A D H > S+ 0 0 137 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.845 101.7 56.0 -58.0 -34.7 20.4 -27.4 -25.8 4 6 A T H > S+ 0 0 74 -3,-0.5 4,-3.2 2,-0.2 -1,-0.2 0.870 106.1 50.2 -64.6 -40.2 17.9 -26.5 -28.6 5 7 A L H X S+ 0 0 4 -4,-1.1 4,-2.5 -3,-0.4 -2,-0.2 0.911 112.5 45.6 -65.5 -44.4 16.7 -23.4 -26.7 6 8 A I H X S+ 0 0 57 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.919 115.3 49.1 -63.8 -42.2 20.3 -22.2 -26.2 7 9 A S H X S+ 0 0 60 -4,-2.5 4,-2.2 2,-0.2 5,-0.2 0.923 112.2 47.2 -62.7 -47.8 21.0 -23.0 -29.9 8 10 A N H X S+ 0 0 57 -4,-3.2 4,-2.3 260,-0.2 -1,-0.2 0.902 113.7 48.4 -61.7 -43.2 17.9 -21.1 -31.1 9 11 A N H X S+ 0 0 1 -4,-2.5 4,-2.9 259,-0.2 -2,-0.2 0.899 110.2 51.0 -62.1 -46.3 18.8 -18.1 -28.8 10 12 A A H X S+ 0 0 23 -4,-2.5 4,-2.8 2,-0.2 5,-0.2 0.943 114.5 42.9 -57.7 -49.6 22.5 -18.0 -30.0 11 13 A L H X S+ 0 0 90 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.877 115.3 50.3 -66.0 -39.4 21.4 -18.0 -33.7 12 14 A W H X S+ 0 0 48 -4,-2.3 4,-1.9 -5,-0.2 -2,-0.2 0.920 114.2 44.0 -63.9 -48.4 18.6 -15.5 -33.1 13 15 A S H X S+ 0 0 6 -4,-2.9 4,-2.8 2,-0.2 5,-0.2 0.940 115.4 46.9 -64.1 -48.8 20.9 -13.1 -31.2 14 16 A K H X S+ 0 0 120 -4,-2.8 4,-2.3 1,-0.2 5,-0.2 0.889 111.7 52.9 -61.4 -40.0 23.8 -13.4 -33.7 15 17 A M H X S+ 0 0 102 -4,-2.1 4,-2.5 -5,-0.2 -1,-0.2 0.892 113.5 41.4 -62.8 -42.4 21.3 -12.9 -36.5 16 18 A L H X S+ 0 0 40 -4,-1.9 4,-2.6 2,-0.2 7,-0.3 0.890 112.6 53.9 -72.8 -40.3 19.9 -9.7 -35.0 17 19 A V H < S+ 0 0 66 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.895 117.6 38.4 -61.3 -40.1 23.3 -8.3 -34.0 18 20 A E H < S+ 0 0 168 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.905 123.0 38.4 -76.8 -48.6 24.5 -8.8 -37.6 19 21 A E H < S+ 0 0 153 -4,-2.5 -3,-0.2 1,-0.2 -2,-0.2 0.819 138.9 3.6 -76.3 -35.7 21.4 -7.7 -39.5 20 22 A D >< + 0 0 80 -4,-2.6 3,-1.7 -5,-0.2 4,-0.4 -0.593 58.5 172.0-151.2 82.6 20.3 -4.8 -37.2 21 23 A P T >> S+ 0 0 71 0, 0.0 4,-1.0 0, 0.0 3,-0.9 0.815 80.8 70.6 -64.2 -24.6 22.7 -4.0 -34.3 22 24 A G H 3> S+ 0 0 10 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.703 80.9 76.4 -60.5 -22.0 20.5 -0.9 -33.7 23 25 A F H <> S+ 0 0 73 -3,-1.7 4,-1.3 -7,-0.3 -1,-0.2 0.913 100.8 37.6 -56.6 -48.0 17.7 -3.3 -32.5 24 26 A F H <> S+ 0 0 6 -3,-0.9 4,-2.6 -4,-0.4 -1,-0.2 0.780 114.1 55.9 -77.5 -27.6 19.5 -3.8 -29.1 25 27 A E H X S+ 0 0 124 -4,-1.0 4,-1.3 2,-0.2 -2,-0.2 0.923 109.6 46.8 -65.1 -44.5 20.6 -0.1 -28.9 26 28 A K H < S+ 0 0 120 -4,-2.9 -2,-0.2 2,-0.2 -1,-0.2 0.825 111.7 52.3 -64.7 -34.2 16.9 0.8 -29.3 27 29 A L H < S+ 0 0 20 -4,-1.3 -2,-0.2 -5,-0.2 -1,-0.2 0.928 107.8 50.0 -67.1 -46.0 16.2 -1.9 -26.6 28 30 A A H < S+ 0 0 44 -4,-2.6 2,-0.8 370,-0.2 -2,-0.2 0.735 93.4 87.1 -63.2 -26.4 18.8 -0.3 -24.2 29 31 A Q S < S- 0 0 127 -4,-1.3 2,-0.3 -5,-0.1 -1,-0.0 -0.714 88.8-126.2 -81.1 107.3 17.1 3.2 -24.8 30 32 A A + 0 0 93 -2,-0.8 2,-0.3 1,-0.0 -2,-0.1 -0.433 39.4 164.3 -65.3 120.4 14.3 3.3 -22.2 31 33 A Q - 0 0 152 -2,-0.3 -2,-0.0 -4,-0.2 -1,-0.0 -0.921 39.0-124.9-136.1 100.0 10.8 4.0 -23.6 32 34 A K - 0 0 130 -2,-0.3 27,-0.1 1,-0.1 24,-0.0 -0.154 24.9-104.2 -54.9 137.4 8.2 3.1 -20.8 33 35 A P - 0 0 18 0, 0.0 24,-0.2 0, 0.0 25,-0.2 -0.311 21.5-160.9 -60.9 143.2 5.4 0.7 -21.6 34 36 A R S S+ 0 0 69 23,-1.1 55,-2.0 54,-0.2 56,-1.6 0.491 71.9 59.3 -98.8 -11.2 1.9 2.2 -22.1 35 37 A F E -ab 58 90A 0 22,-1.9 24,-2.2 53,-0.2 2,-0.5 -0.973 59.6-158.4-126.2 137.9 0.0 -1.0 -21.5 36 38 A L E -ab 59 91A 0 54,-2.4 56,-3.0 -2,-0.4 2,-0.5 -0.969 16.7-160.9-106.6 126.6 -0.2 -3.5 -18.6 37 39 A W E -ab 60 92A 3 22,-2.8 24,-2.8 -2,-0.5 2,-0.6 -0.951 7.2-170.9-108.6 120.8 -1.4 -6.9 -19.8 38 40 A I E +ab 61 93A 0 54,-3.1 56,-2.5 -2,-0.5 2,-0.2 -0.969 29.1 149.6-108.8 110.1 -2.8 -9.3 -17.1 39 41 A G E -a 62 0A 0 22,-2.4 24,-1.6 -2,-0.6 27,-0.3 -0.694 45.8 -75.2-132.5-175.6 -3.3 -12.7 -18.7 40 42 A C E > -a 63 0A 2 54,-0.3 3,-1.7 22,-0.2 24,-0.2 -0.621 30.1-126.4 -87.5 147.1 -3.3 -16.4 -18.0 41 43 A S T 3 S+ 0 0 0 22,-1.7 236,-2.4 1,-0.3 23,-0.1 0.749 107.2 74.8 -59.2 -23.9 -0.2 -18.4 -17.4 42 44 A D T 3 S- 0 0 20 21,-0.3 -1,-0.3 234,-0.2 231,-0.3 0.852 75.9-173.3 -56.6 -33.6 -1.5 -20.8 -20.2 43 45 A S < + 0 0 4 -3,-1.7 230,-0.3 234,-0.1 232,-0.2 0.874 8.5 175.0 37.8 54.8 -0.4 -18.0 -22.6 44 46 A R S S+ 0 0 38 1,-0.3 -1,-0.1 228,-0.1 231,-0.1 0.875 75.1 15.9 -58.3 -42.1 -2.1 -19.9 -25.5 45 47 A V S S- 0 0 6 228,-0.1 -1,-0.3 227,-0.0 -2,-0.1 -0.995 98.4-115.0-127.9 120.8 -1.3 -17.0 -27.9 46 48 A P > - 0 0 2 0, 0.0 4,-2.3 0, 0.0 3,-0.5 -0.273 20.0-122.3 -59.8 147.3 1.3 -14.5 -26.7 47 49 A A H > S+ 0 0 0 1,-0.2 4,-2.0 2,-0.2 6,-0.4 0.833 110.8 58.0 -56.7 -38.1 0.0 -10.9 -26.1 48 50 A E H > S+ 0 0 26 1,-0.2 4,-1.6 2,-0.2 5,-0.2 0.878 111.5 40.8 -62.0 -41.0 2.6 -9.4 -28.5 49 51 A R H 4 S+ 0 0 80 -3,-0.5 -2,-0.2 2,-0.2 -1,-0.2 0.884 113.7 53.6 -77.4 -38.5 1.2 -11.6 -31.4 50 52 A L H < S+ 0 0 1 -4,-2.3 136,-0.2 1,-0.2 -2,-0.2 0.838 125.2 23.2 -58.9 -41.0 -2.5 -11.2 -30.4 51 53 A T H < S- 0 0 0 -4,-2.0 174,-0.2 -5,-0.2 175,-0.2 0.532 95.7-124.4-106.0 -18.0 -2.2 -7.3 -30.5 52 54 A G < + 0 0 35 -4,-1.6 -3,-0.2 1,-0.3 -4,-0.1 0.570 58.9 151.8 77.8 8.1 0.8 -6.5 -32.7 53 55 A L - 0 0 5 -6,-0.4 -1,-0.3 -5,-0.2 -2,-0.1 -0.453 48.2-119.6 -71.3 146.2 2.3 -4.6 -29.8 54 56 A E > - 0 0 124 -2,-0.1 3,-2.3 -3,-0.1 4,-0.5 -0.586 28.5-110.9 -83.0 145.6 6.1 -4.3 -29.6 55 57 A P G > S+ 0 0 37 0, 0.0 3,-1.4 0, 0.0 207,-0.1 0.840 115.9 58.8 -51.7 -36.0 7.7 -5.8 -26.4 56 58 A G G 3 S+ 0 0 28 1,-0.3 -25,-0.1 205,-0.1 205,-0.1 0.626 99.2 60.0 -65.1 -16.0 8.7 -2.3 -25.0 57 59 A E G < S+ 0 0 38 -3,-2.3 -22,-1.9 -24,-0.2 -23,-1.1 0.616 99.0 68.9 -87.4 -16.7 5.0 -1.2 -25.1 58 60 A L E < -a 35 0A 2 -3,-1.4 2,-0.4 -4,-0.5 -22,-0.2 -0.879 52.5-169.1-114.4 141.3 3.8 -4.0 -22.7 59 61 A F E -a 36 0A 2 -24,-2.2 -22,-2.8 -2,-0.4 2,-0.4 -0.956 31.3-154.8-115.3 131.1 4.3 -4.7 -19.0 60 62 A V E +a 37 0A 2 198,-2.4 2,-0.4 -2,-0.4 -22,-0.2 -0.955 25.9 179.4-126.0 139.1 3.0 -8.2 -18.3 61 63 A H E -a 38 0A 0 -24,-2.8 -22,-2.4 -2,-0.4 2,-0.4 -0.995 12.1-176.8-125.2 136.8 1.6 -10.2 -15.4 62 64 A R E +aC 39 279A 13 217,-0.9 217,-0.9 -2,-0.4 2,-0.3 -1.000 11.8 152.7-135.2 133.9 0.5 -13.8 -15.8 63 65 A N E > -a 40 0A 0 -24,-1.6 -22,-1.7 -2,-0.4 3,-1.6 -0.888 56.7 -62.1-146.9 172.5 -1.1 -16.1 -13.2 64 66 A V T 3 S- 0 0 3 1,-0.3 3,-0.4 -2,-0.3 -24,-0.1 -0.514 121.5 -6.7 -68.6 120.2 -3.5 -19.1 -13.3 65 67 A A T 3 S- 0 0 0 -2,-0.5 -1,-0.3 1,-0.2 -25,-0.2 0.665 110.7 -89.9 67.3 24.9 -6.8 -18.0 -14.8 66 68 A N < + 0 0 3 -3,-1.6 2,-0.3 -27,-0.3 -1,-0.2 0.889 68.1 177.4 47.0 56.0 -5.8 -14.2 -15.0 67 69 A L - 0 0 0 -3,-0.4 2,-0.5 -28,-0.1 -1,-0.2 -0.624 33.2-160.4 -92.4 150.8 -7.1 -13.3 -11.5 68 70 A V - 0 0 3 -2,-0.3 2,-0.3 -30,-0.0 87,-0.1 -0.875 23.2-167.8-122.0 82.8 -6.9 -9.9 -9.7 69 71 A I > - 0 0 10 -2,-0.5 3,-1.9 1,-0.1 7,-0.2 -0.643 27.4-123.7 -76.4 138.1 -7.4 -11.1 -6.1 70 72 A H T 3 S+ 0 0 124 -2,-0.3 -1,-0.1 1,-0.3 0, 0.0 0.802 108.8 30.6 -51.7 -35.8 -8.1 -8.2 -3.7 71 73 A T T 3 S+ 0 0 125 5,-0.0 2,-1.1 4,-0.0 -1,-0.3 0.050 81.7 121.9-115.4 23.2 -5.2 -9.3 -1.4 72 74 A D <> - 0 0 12 -3,-1.9 4,-2.6 1,-0.2 5,-0.2 -0.759 41.2-168.4 -86.9 106.0 -2.7 -10.9 -3.8 73 75 A L H > S+ 0 0 74 -2,-1.1 4,-2.2 2,-0.2 5,-0.2 0.748 80.6 62.4 -69.8 -19.9 0.4 -8.7 -3.3 74 76 A N H > S+ 0 0 1 2,-0.2 4,-1.9 1,-0.2 207,-0.2 0.998 113.0 33.3 -66.3 -56.3 2.1 -10.2 -6.4 75 77 A C H > S+ 0 0 0 1,-0.2 4,-2.9 2,-0.2 -2,-0.2 0.913 118.7 53.9 -63.9 -43.1 -0.5 -8.9 -8.8 76 78 A L H X S+ 0 0 24 -4,-2.6 4,-3.2 1,-0.2 -1,-0.2 0.874 107.6 51.4 -60.9 -37.0 -1.2 -5.7 -6.7 77 79 A S H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 5,-0.2 0.900 110.9 47.8 -67.5 -39.2 2.6 -4.9 -6.8 78 80 A V H X S+ 0 0 0 -4,-1.9 4,-2.7 2,-0.2 -2,-0.2 0.947 115.3 45.9 -61.8 -47.9 2.7 -5.3 -10.6 79 81 A V H X S+ 0 0 0 -4,-2.9 4,-3.0 2,-0.2 5,-0.3 0.932 113.4 48.1 -62.3 -46.3 -0.4 -3.0 -10.9 80 82 A Q H X>S+ 0 0 6 -4,-3.2 4,-2.9 1,-0.2 5,-0.6 0.921 114.3 45.7 -64.4 -40.9 0.9 -0.4 -8.4 81 83 A Y H X>S+ 0 0 16 -4,-2.4 5,-2.5 1,-0.2 4,-1.8 0.936 115.6 47.8 -66.2 -42.7 4.3 -0.2 -10.2 82 84 A A H <>S+ 0 0 0 -4,-2.7 6,-2.6 -5,-0.2 5,-0.6 0.906 120.9 35.4 -62.6 -44.1 2.5 -0.0 -13.6 83 85 A V H <5S+ 0 0 0 -4,-3.0 -2,-0.2 4,-0.2 -3,-0.2 0.914 128.8 29.7 -80.0 -48.7 0.1 2.7 -12.6 84 86 A D H <5S+ 0 0 50 -4,-2.9 -3,-0.2 -5,-0.3 -2,-0.2 0.805 132.9 25.7 -84.3 -30.5 2.1 4.8 -10.2 85 87 A V T < - d 0 179A 4 82,-0.2 3,-0.7 -2,-0.2 84,-0.2 -0.993 19.9-100.9-149.6 153.5 -9.2 -17.2 -23.0 97 99 A S T 3 S+ 0 0 7 82,-1.9 45,-0.1 -2,-0.3 82,-0.0 -0.298 101.5 29.9 -70.6 158.1 -11.4 -20.3 -23.9 98 100 A G T 3 S+ 0 0 58 1,-0.2 2,-0.3 2,-0.1 -1,-0.2 0.711 79.6 172.8 65.8 24.7 -10.3 -23.8 -22.8 99 101 A C <> - 0 0 6 -3,-0.7 4,-2.5 1,-0.1 -1,-0.2 -0.511 30.2-147.6 -69.4 123.0 -8.5 -22.4 -19.7 100 102 A G H > S+ 0 0 18 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.838 97.8 53.0 -58.2 -39.0 -7.3 -25.3 -17.5 101 103 A G H > S+ 0 0 1 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.924 110.3 46.2 -64.4 -46.0 -7.8 -23.2 -14.3 102 104 A I H > S+ 0 0 6 2,-0.2 4,-1.4 1,-0.2 -2,-0.2 0.947 114.6 48.0 -61.1 -47.9 -11.4 -22.4 -15.2 103 105 A K H X S+ 0 0 99 -4,-2.5 4,-2.7 1,-0.2 3,-0.3 0.919 112.5 48.9 -60.2 -43.9 -12.2 -26.1 -16.1 104 106 A A H X S+ 0 0 9 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.850 105.2 58.6 -66.3 -32.8 -10.5 -27.3 -12.8 105 107 A A H < S+ 0 0 1 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.898 115.1 36.4 -61.5 -37.5 -12.5 -24.8 -10.8 106 108 A V H < S+ 0 0 40 -4,-1.4 -2,-0.2 -3,-0.3 -1,-0.2 0.898 121.9 42.5 -80.2 -46.8 -15.8 -26.3 -12.1 107 109 A E H < S- 0 0 115 -4,-2.7 -3,-0.2 -5,-0.2 -2,-0.2 0.749 91.6-154.5 -74.7 -26.1 -14.7 -30.0 -12.2 108 110 A N < + 0 0 82 -4,-2.3 -3,-0.1 -5,-0.3 -4,-0.1 0.844 18.6 179.2 53.3 47.9 -13.0 -29.7 -8.8 109 111 A P - 0 0 51 0, 0.0 2,-1.7 0, 0.0 3,-0.2 -0.403 44.1-103.3 -65.8 159.2 -10.4 -32.5 -9.1 110 112 A E + 0 0 191 1,-0.2 -2,-0.0 -2,-0.0 0, 0.0 -0.630 60.0 157.7 -85.6 80.7 -8.1 -32.8 -6.0 111 113 A L - 0 0 38 -2,-1.7 2,-0.3 1,-0.3 -1,-0.2 0.694 43.6-124.3 -83.0 -20.2 -5.1 -31.1 -7.7 112 114 A G S > S+ 0 0 37 -3,-0.2 3,-2.4 1,-0.2 4,-0.3 -0.850 72.7 1.8 112.4-147.9 -3.3 -29.9 -4.5 113 115 A L T >> S+ 0 0 53 -2,-0.3 3,-1.9 1,-0.3 4,-0.6 0.791 120.7 66.4 -45.6 -44.6 -2.2 -26.4 -3.6 114 116 A I H 3> S+ 0 0 0 1,-0.3 4,-2.2 -3,-0.2 -1,-0.3 0.723 83.3 76.4 -54.5 -26.7 -3.7 -24.7 -6.7 115 117 A N H <> S+ 0 0 34 -3,-2.4 4,-0.8 1,-0.2 -1,-0.3 0.832 90.4 55.6 -58.5 -31.2 -7.3 -25.6 -5.5 116 118 A N H X4 S+ 0 0 90 -3,-1.9 3,-1.1 -4,-0.3 4,-0.4 0.949 107.7 47.2 -66.7 -45.9 -7.1 -22.7 -3.0 117 119 A W H >< S+ 0 0 10 -4,-0.6 3,-1.6 1,-0.2 4,-0.4 0.918 109.7 55.6 -55.4 -44.1 -6.3 -20.2 -5.8 118 120 A L H >X S+ 0 0 4 -4,-2.2 4,-2.0 1,-0.3 3,-1.1 0.680 86.2 79.0 -69.2 -14.6 -9.2 -21.7 -7.9 119 121 A L H S+ 0 0 70 -3,-1.6 4,-1.0 -4,-0.4 -1,-0.3 0.843 104.7 45.8 -70.5 -26.8 -11.8 -17.4 -6.2 121 123 A I H <> S+ 0 0 0 -3,-1.1 4,-2.3 -4,-0.4 3,-0.3 0.890 108.0 55.6 -78.2 -40.5 -13.2 -18.7 -9.6 122 124 A R H X S+ 0 0 77 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.884 103.4 57.3 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-0.996 98.7-115.4-128.8 119.6 12.3 -9.7 -25.1 263 48 B P > - 0 0 9 0, 0.0 4,-2.3 0, 0.0 3,-0.5 -0.287 20.5-121.0 -59.5 147.7 9.4 -12.2 -25.0 264 49 B A H > S+ 0 0 0 1,-0.2 4,-2.0 2,-0.2 6,-0.4 0.835 111.2 58.2 -56.4 -37.1 10.3 -15.7 -23.9 265 50 B E H > S+ 0 0 11 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.872 110.8 40.7 -62.4 -40.9 9.0 -17.2 -27.2 266 51 B R H 4 S+ 0 0 144 -3,-0.5 -2,-0.2 2,-0.2 -1,-0.2 0.885 113.7 54.1 -77.3 -37.4 11.4 -15.0 -29.3 267 52 B L H < S+ 0 0 2 -4,-2.3 136,-0.2 1,-0.2 -2,-0.2 0.847 124.9 23.5 -59.0 -41.6 14.4 -15.5 -26.9 268 53 B T H < S- 0 0 0 -4,-2.0 -260,-0.2 -5,-0.2 -259,-0.2 0.526 96.1-124.8-104.4 -17.5 14.1 -19.3 -27.0 269 54 B G < + 0 0 43 -4,-1.5 -3,-0.2 1,-0.3 -4,-0.1 0.559 59.2 151.4 76.8 8.2 12.3 -20.0 -30.3 270 55 B L - 0 0 9 -6,-0.4 -1,-0.3 -5,-0.2 -2,-0.1 -0.428 44.1-120.6 -70.0 146.8 9.7 -22.0 -28.3 271 56 B E >> - 0 0 131 -2,-0.1 3,-2.4 -3,-0.1 4,-0.5 -0.564 31.1 -94.5 -85.4 152.5 6.2 -22.2 -29.7 272 57 B P T 34 S+ 0 0 18 0, 0.0 -228,-0.1 0, 0.0 -1,-0.1 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67 B A T 3 S- 0 0 0 -2,-0.5 -1,-0.3 1,-0.2 -25,-0.2 0.651 110.6 -89.6 66.6 26.3 12.0 -8.8 -10.9 283 68 B N < + 0 0 3 -3,-1.6 2,-0.2 -27,-0.3 -1,-0.2 0.888 68.2 177.7 46.4 55.9 11.1 -12.5 -11.4 284 69 B L - 0 0 0 -3,-0.4 2,-0.4 -28,-0.1 -1,-0.2 -0.604 33.5-161.3 -92.3 150.8 10.9 -13.5 -7.8 285 70 B V - 0 0 2 -2,-0.2 2,-0.3 -30,-0.0 87,-0.1 -0.838 23.8-167.8-121.7 80.8 10.0 -16.8 -6.2 286 71 B I > - 0 0 11 -2,-0.4 3,-1.9 1,-0.1 7,-0.2 -0.593 27.8-122.9 -74.5 140.6 9.2 -15.6 -2.6 287 72 B H T 3 S+ 0 0 127 1,-0.3 -1,-0.1 -2,-0.3 0, 0.0 0.798 109.5 30.4 -52.0 -35.5 8.8 -18.5 -0.1 288 73 B T T 3 S+ 0 0 126 5,-0.0 2,-1.0 4,-0.0 -1,-0.3 0.041 82.1 122.0-117.1 22.6 5.3 -17.4 0.8 289 74 B D <> - 0 0 11 -3,-1.9 4,-2.6 1,-0.2 5,-0.2 -0.767 40.2-169.6 -86.7 103.0 4.0 -15.9 -2.5 290 75 B L H > S+ 0 0 75 -2,-1.0 4,-2.2 2,-0.2 5,-0.2 0.746 79.7 62.6 -70.2 -18.4 0.9 -18.0 -3.2 291 76 B N H > S+ 0 0 1 2,-0.2 4,-1.9 1,-0.2 -227,-0.2 0.998 113.1 33.3 -66.0 -58.0 0.5 -16.5 -6.7 292 77 B C H > S+ 0 0 0 1,-0.2 4,-2.8 2,-0.2 -2,-0.2 0.906 118.6 54.1 -61.9 -44.4 3.9 -17.8 -8.0 293 78 B L H X S+ 0 0 24 -4,-2.6 4,-3.2 1,-0.2 -1,-0.2 0.878 107.3 51.6 -60.4 -36.1 3.6 -21.0 -5.8 294 79 B S H X S+ 0 0 1 -4,-2.2 4,-2.4 2,-0.2 5,-0.2 0.909 110.4 47.9 -68.5 -38.2 0.2 -21.8 -7.3 295 80 B V H X S+ 0 0 0 -4,-1.9 4,-2.8 2,-0.2 -2,-0.2 0.951 115.5 46.0 -62.2 -47.0 1.6 -21.4 -10.9 296 81 B V H X S+ 0 0 0 -4,-2.8 4,-3.1 2,-0.2 5,-0.3 0.932 113.1 48.4 -62.5 -46.2 4.6 -23.7 -9.9 297 82 B Q H X>S+ 0 0 4 -4,-3.2 4,-2.8 1,-0.2 5,-0.6 0.920 114.2 45.7 -64.6 -41.4 2.4 -26.3 -8.2 298 83 B Y H X>S+ 0 0 17 -4,-2.4 5,-2.5 -5,-0.2 4,-1.7 0.939 115.4 48.0 -64.6 -43.2 0.0 -26.5 -11.1 299 84 B A H <>S+ 0 0 0 -4,-2.8 6,-2.5 -5,-0.2 5,-0.6 0.909 120.7 35.4 -61.7 -44.9 2.9 -26.6 -13.6 300 85 B V H <5S+ 0 0 0 -4,-3.1 -2,-0.2 4,-0.2 -3,-0.2 0.916 128.7 30.0 -79.0 -47.3 4.8 -29.4 -11.7 301 86 B D H <5S+ 0 0 51 -4,-2.8 -3,-0.2 -5,-0.3 -2,-0.2 0.808 132.9 25.4 -86.3 -29.5 2.0 -31.5 -10.3 302 87 B V T < - i 0 396A 4 82,-0.2 3,-0.7 -2,-0.2 84,-0.2 -0.993 19.6-101.6-149.5 154.1 17.6 -9.5 -17.4 314 99 B S T 3 S+ 0 0 6 82,-1.9 45,-0.1 -2,-0.3 82,-0.0 -0.287 101.2 30.7 -71.2 159.4 19.9 -6.5 -17.3 315 100 B G T 3 S+ 0 0 58 1,-0.2 2,-0.3 2,-0.1 -1,-0.2 0.714 79.1 171.9 65.1 24.7 18.5 -2.9 -16.8 316 101 B C <> - 0 0 4 -3,-0.7 4,-2.5 1,-0.1 -1,-0.2 -0.517 30.1-148.5 -70.3 121.6 15.6 -4.3 -14.7 317 102 B G H > S+ 0 0 21 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.851 97.4 52.8 -58.1 -39.1 13.6 -1.4 -13.1 318 103 B G H > S+ 0 0 0 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.915 110.2 46.5 -64.4 -45.6 12.7 -3.5 -10.1 319 104 B I H > S+ 0 0 5 2,-0.2 4,-1.4 1,-0.2 -2,-0.2 0.945 114.6 47.4 -61.7 -47.8 16.4 -4.4 -9.4 320 105 B K H X S+ 0 0 101 -4,-2.5 4,-2.8 1,-0.2 3,-0.4 0.925 112.4 49.7 -60.7 -43.7 17.5 -0.8 -9.9 321 106 B A H X S+ 0 0 8 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.841 104.4 59.3 -66.2 -32.5 14.7 0.5 -7.6 322 107 B A H < S+ 0 0 2 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.902 114.8 35.6 -61.5 -38.2 15.6 -2.0 -4.9 323 108 B V H < S+ 0 0 41 -4,-1.4 -2,-0.2 -3,-0.4 -1,-0.2 0.896 121.9 43.2 -80.6 -45.9 19.1 -0.5 -4.7 324 109 B E H < S- 0 0 111 -4,-2.8 -3,-0.2 -5,-0.2 -2,-0.2 0.742 91.7-154.4 -74.7 -25.7 18.3 3.2 -5.2 325 110 B N < - 0 0 81 -4,-2.2 -3,-0.1 -5,-0.3 -4,-0.1 0.847 18.1-179.8 53.8 47.4 15.3 2.9 -2.9 326 111 B P - 0 0 51 0, 0.0 2,-1.8 0, 0.0 3,-0.2 -0.417 43.9-102.5 -64.5 159.0 13.1 5.7 -4.3 327 112 B E + 0 0 103 1,-0.2 -2,-0.0 -2,-0.0 0, 0.0 -0.606 61.7 155.2 -84.3 79.8 9.7 6.1 -2.3 328 113 B L - 0 0 38 -2,-1.8 2,-0.3 1,-0.3 3,-0.2 0.685 45.1-125.8 -85.3 -18.5 7.7 4.4 -5.0 329 114 B G S > S+ 0 0 43 -3,-0.2 3,-2.4 1,-0.2 4,-0.3 -0.843 71.7 2.8 111.8-147.6 4.9 3.2 -2.8 330 115 B L T >> S+ 0 0 56 -2,-0.3 3,-2.0 1,-0.3 4,-0.6 0.799 119.8 67.2 -43.0 -48.0 3.5 -0.3 -2.3 331 116 B I H 3> S+ 0 0 0 1,-0.3 4,-2.3 -3,-0.2 -1,-0.3 0.728 83.1 76.2 -51.1 -27.6 6.1 -2.0 -4.7 332 117 B N H <> S+ 0 0 34 -3,-2.4 4,-0.9 1,-0.2 -1,-0.3 0.848 90.1 56.2 -57.9 -31.0 8.9 -1.1 -2.1 333 118 B N H X4 S+ 0 0 90 -3,-2.0 3,-1.1 -4,-0.3 4,-0.4 0.962 107.9 46.5 -67.0 -45.7 7.7 -4.0 0.1 334 119 B W H >< S+ 0 0 10 -4,-0.6 3,-1.6 1,-0.3 4,-0.3 0.916 109.6 55.6 -57.7 -43.4 8.1 -6.5 -2.7 335 120 B L H >X S+ 0 0 3 -4,-2.3 4,-2.0 1,-0.3 3,-1.2 0.692 86.2 79.4 -69.0 -15.0 11.5 -5.1 -3.6 336 121 B L H S+ 0 0 70 -3,-1.6 4,-0.8 -4,-0.4 -1,-0.3 0.831 104.1 46.1 -69.7 -28.0 13.2 -9.3 -1.1 338 123 B I H X> S+ 0 0 0 -3,-1.2 4,-2.0 -4,-0.3 3,-0.7 0.896 107.8 55.8 -77.9 -40.1 15.9 -8.0 -3.5 339 124 B R H 3X S+ 0 0 82 -4,-2.0 4,-2.1 1,-0.3 -2,-0.2 0.894 101.8 58.9 -58.7 -32.6 17.4 -5.8 -0.8 340 125 B D H 3X S+ 0 0 86 -4,-2.1 4,-2.2 1,-0.2 -1,-0.3 0.869 106.3 47.2 -60.8 -39.3 17.8 -9.1 1.2 341 126 B I H < S+ 0 0 120 -4,-2.1 3,-1.5 -5,-0.2 4,-0.3 0.899 109.9 55.4 -72.7 -43.4 22.7 -7.8 2.0 344 129 B K H 3< S+ 0 0 112 -4,-2.2 3,-0.3 1,-0.3 -2,-0.2 0.854 117.6 36.0 -57.3 -38.7 23.4 -11.6 1.7 345 130 B H T 3X S+ 0 0 13 -4,-2.1 4,-3.0 1,-0.2 -1,-0.3 0.051 79.8 121.3-105.9 23.7 26.1 -11.0 -0.9 346 131 B S H <> S+ 0 0 74 -3,-1.5 4,-2.5 1,-0.2 -1,-0.2 0.887 75.5 50.0 -55.7 -42.9 27.5 -7.7 0.5 347 132 B S H > S+ 0 0 83 -3,-0.3 4,-0.7 -4,-0.3 -1,-0.2 0.936 114.2 44.1 -63.1 -46.5 31.0 -9.2 0.9 348 133 B L H >4 S+ 0 0 18 1,-0.2 3,-1.1 2,-0.2 4,-0.4 0.928 114.8 49.3 -61.3 -47.6 31.1 -10.5 -2.7 349 134 B L H >< S+ 0 0 5 -4,-3.0 3,-1.2 1,-0.3 -1,-0.2 0.872 106.2 57.0 -63.3 -35.3 29.6 -7.2 -4.0 350 135 B G H 3< S+ 0 0 50 -4,-2.5 -1,-0.3 1,-0.2 -2,-0.2 0.664 98.9 60.8 -69.2 -18.4 32.2 -5.2 -2.1 351 136 B K T << S+ 0 0 130 -3,-1.1 -1,-0.2 -4,-0.7 -2,-0.2 0.593 100.3 65.8 -84.3 -8.6 35.1 -7.0 -3.8 352 137 B M S < S- 0 0 5 -3,-1.2 80,-0.1 -4,-0.4 5,-0.1 -0.707 100.9 -80.0-116.3 158.5 33.9 -5.8 -7.3 353 138 B P >> - 0 0 62 0, 0.0 3,-1.8 0, 0.0 4,-0.5 -0.267 39.5-122.9 -57.2 143.7 33.8 -2.4 -8.9 354 139 B E G >4 S+ 0 0 148 1,-0.3 3,-1.4 2,-0.2 4,-0.5 0.868 110.4 60.4 -55.3 -39.9 30.7 -0.4 -7.8 355 140 B E G 34 S+ 0 0 156 1,-0.3 -1,-0.3 2,-0.1 4,-0.2 0.608 104.9 50.6 -67.1 -10.6 29.6 0.1 -11.5 356 141 B Q G <> S+ 0 0 71 -3,-1.8 4,-2.4 1,-0.1 -1,-0.3 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