==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-MAR-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 22-OCT-08 3EYX . COMPND 2 MOLECULE: CARBONIC ANHYDRASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR Y.B.TENG,Y.L.JIANG,Y.CHEN,C.Z.ZHOU . 394 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17313.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 301 76.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 42 10.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 18 4.6 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 . 23 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 51 12.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 142 36.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 2.8 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 1 0 2 2 2 2 0 0 2 0 0 0 0 0 2 0 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 2 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 . 1 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 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 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 17 A N > 0 0 84 0, 0.0 4,-1.9 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -30.6 34.7 -12.1 12.0 2 18 A L H > + 0 0 27 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.899 360.0 55.0 -60.0 -40.2 31.9 -13.7 14.1 3 19 A Q H > S+ 0 0 155 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.833 105.3 52.1 -63.6 -31.1 32.3 -10.6 16.3 4 20 A D H > S+ 0 0 87 2,-0.2 4,-2.8 3,-0.2 -1,-0.2 0.914 110.7 48.1 -66.3 -43.8 31.7 -8.4 13.2 5 21 A I H X S+ 0 0 6 -4,-1.9 4,-2.9 2,-0.2 -2,-0.2 0.934 111.3 48.7 -61.1 -50.6 28.5 -10.4 12.5 6 22 A L H X S+ 0 0 51 -4,-2.9 4,-2.3 1,-0.2 -1,-0.2 0.871 113.6 48.8 -58.8 -38.1 27.2 -10.1 16.1 7 23 A A H X S+ 0 0 60 -4,-1.8 4,-1.9 -5,-0.2 -2,-0.2 0.923 112.0 47.2 -64.6 -48.7 28.0 -6.4 15.9 8 24 A A H X S+ 0 0 22 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.891 114.0 49.5 -60.1 -40.1 26.2 -6.0 12.5 9 25 A N H X S+ 0 0 3 -4,-2.9 4,-2.8 234,-0.2 -2,-0.2 0.912 107.9 51.7 -65.9 -44.3 23.3 -8.0 13.9 10 26 A A H X S+ 0 0 45 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.871 112.1 47.1 -60.6 -40.6 23.0 -5.9 17.2 11 27 A K H X S+ 0 0 125 -4,-1.9 4,-2.0 2,-0.2 5,-0.2 0.951 114.2 47.3 -62.3 -52.1 22.8 -2.7 15.1 12 28 A W H X S+ 0 0 46 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.866 113.1 49.1 -57.6 -42.6 20.2 -4.3 12.8 13 29 A A H X S+ 0 0 1 -4,-2.8 4,-2.5 2,-0.2 -1,-0.2 0.860 107.9 52.0 -69.3 -40.0 18.1 -5.6 15.7 14 30 A S H X S+ 0 0 61 -4,-2.0 4,-1.3 2,-0.2 -2,-0.2 0.907 114.8 44.0 -63.4 -41.7 18.1 -2.3 17.6 15 31 A Q H X S+ 0 0 81 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.918 112.9 51.6 -65.8 -43.9 16.9 -0.5 14.5 16 32 A M H X S+ 0 0 29 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.861 104.7 56.2 -63.7 -37.7 14.4 -3.3 13.7 17 33 A N H < S+ 0 0 58 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.899 112.5 43.4 -58.6 -42.4 12.9 -3.1 17.2 18 34 A N H < S+ 0 0 135 -4,-1.3 -2,-0.2 -5,-0.1 -1,-0.2 0.900 118.6 41.8 -67.7 -46.5 12.2 0.6 16.6 19 35 A I H < S+ 0 0 129 -4,-2.5 -2,-0.2 1,-0.2 -3,-0.2 0.899 129.8 21.5 -73.4 -44.3 10.8 0.3 13.1 20 36 A Q >X + 0 0 18 -4,-2.7 3,-1.5 -5,-0.2 4,-0.6 -0.631 64.2 162.9-128.6 73.5 8.7 -2.9 13.5 21 37 A P G >4 S+ 0 0 87 0, 0.0 3,-0.6 0, 0.0 -1,-0.1 0.791 75.3 61.8 -67.6 -24.5 7.8 -3.3 17.2 22 38 A T G 34 S+ 0 0 134 1,-0.2 -5,-0.1 2,-0.0 -2,-0.0 0.620 92.1 67.3 -73.8 -15.9 5.0 -5.7 16.4 23 39 A L G <4 0 0 24 -3,-1.5 -1,-0.2 1,-0.2 -6,-0.1 0.839 360.0 360.0 -69.5 -33.8 7.4 -8.2 14.8 24 40 A F << 0 0 59 -3,-0.6 -1,-0.2 -4,-0.6 357,-0.1 -0.614 360.0 360.0-103.2 360.0 9.0 -8.9 18.2 25 ! 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 26 49 A S 0 0 150 0, 0.0 53,-0.0 0, 0.0 54,-0.0 0.000 360.0 360.0 360.0 57.7 1.1 -15.9 10.9 27 50 A P - 0 0 8 0, 0.0 24,-0.2 0, 0.0 23,-0.2 -0.280 360.0-160.9 -68.7 152.2 2.5 -15.8 7.3 28 51 A H S S+ 0 0 50 22,-2.0 54,-2.3 53,-0.2 55,-1.3 0.449 70.3 54.8-107.7 -4.9 0.1 -15.6 4.3 29 52 A T E -ab 51 83A 0 21,-1.3 23,-2.6 52,-0.2 2,-0.6 -0.987 60.2-150.4-136.6 136.6 2.5 -16.7 1.6 30 53 A L E -ab 52 84A 0 53,-2.8 55,-3.4 -2,-0.4 2,-0.5 -0.959 23.7-163.0 -98.9 117.3 4.9 -19.6 0.9 31 54 A F E -ab 53 85A 0 21,-2.9 23,-2.8 -2,-0.6 2,-0.6 -0.891 7.0-169.3-102.9 124.7 7.8 -18.3 -1.2 32 55 A I E +ab 54 86A 0 53,-3.4 55,-3.6 -2,-0.5 2,-0.3 -0.956 26.1 148.0-113.7 115.9 9.9 -20.8 -3.0 33 56 A G E -ab 55 87A 0 21,-2.0 23,-2.2 -2,-0.6 26,-0.3 -0.851 47.6 -80.4-142.0 173.1 13.1 -19.3 -4.5 34 57 A C E -a 56 0A 5 53,-0.7 23,-0.2 -2,-0.3 5,-0.2 -0.454 35.8-121.3 -75.9 151.3 16.7 -19.9 -5.4 35 58 A S + 0 0 0 21,-0.8 217,-2.0 -2,-0.1 22,-0.1 0.643 68.1 138.2 -62.8 -17.4 19.4 -19.7 -2.7 36 59 A D > - 0 0 16 20,-0.2 3,-1.1 215,-0.2 212,-0.1 0.016 58.1-134.6 -32.9 129.3 21.0 -16.9 -4.9 37 60 A S T 3 S+ 0 0 14 1,-0.2 211,-1.5 211,-0.2 213,-0.4 0.559 93.0 73.9 -69.4 -11.5 22.2 -14.1 -2.7 38 61 A R T 3 S+ 0 0 83 210,-0.2 2,-0.3 209,-0.2 -1,-0.2 0.646 104.0 16.8 -86.2 -15.5 20.7 -11.3 -4.8 39 62 A Y < + 0 0 8 -3,-1.1 2,-0.2 -5,-0.2 -1,-0.1 -0.969 54.0 161.6-150.2 165.7 17.1 -11.8 -3.9 40 63 A N > - 0 0 14 -2,-0.3 3,-1.6 -3,-0.0 4,-0.2 -0.823 65.6 -53.6-158.3-161.6 14.7 -13.4 -1.3 41 64 A E G > S+ 0 0 6 1,-0.3 3,-1.9 -2,-0.2 5,-0.4 0.689 117.7 79.0 -62.0 -19.4 11.1 -13.0 -0.2 42 65 A N G > S+ 0 0 35 1,-0.3 3,-2.3 2,-0.2 -1,-0.3 0.777 75.2 74.7 -64.0 -25.0 11.6 -9.3 0.3 43 66 A C G < S+ 0 0 0 -3,-1.6 -1,-0.3 1,-0.3 169,-0.2 0.658 83.3 69.6 -57.2 -19.2 11.3 -8.7 -3.5 44 67 A L G < S- 0 0 1 -3,-1.9 -1,-0.3 -4,-0.2 164,-0.2 0.602 113.6-117.7 -73.9 -13.1 7.5 -9.3 -2.9 45 68 A G < + 0 0 33 -3,-2.3 2,-0.2 1,-0.2 -2,-0.1 0.843 68.8 136.0 76.1 35.1 7.3 -6.0 -1.0 46 69 A V - 0 0 18 -5,-0.4 -1,-0.2 -4,-0.3 3,-0.1 -0.605 53.1-120.5-101.8 165.7 6.3 -7.6 2.3 47 70 A L > - 0 0 100 -2,-0.2 3,-1.5 1,-0.1 4,-0.3 -0.644 48.8 -76.1 -95.3 164.8 7.4 -7.0 5.8 48 71 A P T 3 S+ 0 0 35 0, 0.0 189,-0.2 0, 0.0 -1,-0.1 -0.275 118.1 38.3 -57.9 149.0 9.0 -9.7 8.0 49 72 A G T 3 S+ 0 0 17 187,-2.5 188,-0.2 2,-0.3 187,-0.2 0.221 97.6 84.9 93.0 -12.5 6.5 -12.2 9.3 50 73 A E S < S+ 0 0 68 -3,-1.5 -22,-2.0 186,-0.3 -21,-1.3 0.755 83.4 52.2 -89.2 -29.3 4.4 -12.2 6.2 51 74 A V E -a 29 0A 3 185,-0.4 2,-0.4 -4,-0.3 -2,-0.3 -0.936 60.6-156.9-126.7 114.9 6.3 -14.8 4.0 52 75 A F E -a 30 0A 8 -23,-2.6 -21,-2.9 -2,-0.5 2,-0.5 -0.735 30.6-151.3 -80.2 128.3 7.3 -18.3 5.0 53 76 A T E -a 31 0A 0 181,-2.2 2,-0.6 -2,-0.4 -21,-0.2 -0.908 29.7-172.6-124.5 126.5 10.3 -19.2 2.7 54 77 A W E -a 32 0A 9 -23,-2.8 -21,-2.0 -2,-0.5 2,-0.5 -0.947 22.2-178.2-104.0 114.6 11.8 -22.3 1.1 55 78 A K E +aC 33 254A 0 199,-1.8 199,-1.8 -2,-0.6 2,-0.3 -0.962 11.6 153.2-120.5 119.4 15.1 -21.3 -0.5 56 79 A N E > -a 34 0A 4 -23,-2.2 3,-2.4 -2,-0.5 -21,-0.8 -0.972 52.8 -69.8-145.7 160.8 17.2 -23.8 -2.4 57 80 A V G > S- 0 0 6 -2,-0.3 3,-0.9 1,-0.3 -23,-0.1 -0.272 118.3 -11.0 -54.6 119.6 19.8 -24.1 -5.2 58 81 A A G 3 S- 0 0 0 1,-0.2 -1,-0.3 -2,-0.0 -24,-0.2 0.691 106.2 -93.4 60.4 26.5 17.9 -23.4 -8.5 59 82 A N G < - 0 0 2 -3,-2.4 2,-0.4 -26,-0.3 -1,-0.2 0.835 63.4-177.9 35.8 50.4 14.5 -23.5 -6.8 60 83 A I < - 0 0 5 -3,-0.9 2,-0.5 -27,-0.1 -1,-0.2 -0.668 15.5-173.8 -84.3 125.5 14.1 -27.2 -7.7 61 84 A C - 0 0 0 -2,-0.4 2,-0.3 -29,-0.0 95,-0.1 -0.743 5.5-166.6-120.9 79.2 10.8 -28.9 -6.6 62 85 A H > - 0 0 75 -2,-0.5 3,-1.5 1,-0.1 6,-0.2 -0.534 22.2-133.5 -64.9 129.6 10.9 -32.6 -7.3 63 86 A S T 3 S+ 0 0 52 1,-0.3 -1,-0.1 -2,-0.3 6,-0.1 0.818 103.6 40.7 -54.4 -40.9 7.3 -34.0 -7.1 64 87 A E T 3 S+ 0 0 156 4,-0.1 -1,-0.3 5,-0.0 2,-0.2 0.317 86.6 123.1 -96.5 7.8 8.3 -37.0 -4.9 65 88 A D <> - 0 0 48 -3,-1.5 4,-1.9 1,-0.1 5,-0.2 -0.519 59.6-141.2 -69.1 132.3 10.8 -35.1 -2.7 66 89 A L H > S+ 0 0 57 -2,-0.2 4,-3.2 1,-0.2 5,-0.2 0.861 99.5 54.4 -61.3 -41.7 10.0 -35.3 1.0 67 90 A T H > S+ 0 0 23 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.895 108.9 48.8 -63.3 -41.9 10.9 -31.6 1.7 68 91 A L H > S+ 0 0 1 -6,-0.2 4,-2.7 2,-0.2 5,-0.2 0.953 115.9 42.1 -59.1 -54.0 8.5 -30.3 -1.0 69 92 A K H X S+ 0 0 30 -4,-1.9 4,-2.5 2,-0.2 244,-0.2 0.924 117.6 47.2 -61.7 -48.6 5.6 -32.4 0.3 70 93 A A H X S+ 0 0 0 -4,-3.2 4,-2.5 242,-0.3 -2,-0.2 0.895 114.3 47.4 -55.4 -46.9 6.4 -31.6 3.9 71 94 A T H X S+ 0 0 1 -4,-2.8 4,-2.6 -5,-0.2 5,-0.2 0.894 113.3 46.9 -65.8 -42.8 6.8 -27.9 3.1 72 95 A L H X S+ 0 0 0 -4,-2.7 4,-2.7 -5,-0.2 5,-0.4 0.930 113.4 49.7 -66.3 -43.6 3.6 -27.7 1.1 73 96 A E H X>S+ 0 0 8 -4,-2.5 4,-2.3 -5,-0.2 5,-1.0 0.947 114.3 44.4 -58.9 -50.3 1.6 -29.6 3.8 74 97 A F H X>S+ 0 0 25 -4,-2.5 5,-2.9 3,-0.2 4,-1.1 0.957 116.9 44.6 -58.3 -55.4 3.0 -27.3 6.6 75 98 A A H <>S+ 0 0 0 -4,-2.6 6,-2.4 3,-0.2 5,-0.5 0.934 124.6 32.5 -54.2 -50.3 2.4 -24.0 4.7 76 99 A I H <5S+ 0 0 16 -4,-2.7 -3,-0.2 4,-0.2 -2,-0.2 0.953 129.8 28.2 -78.5 -51.6 -1.1 -24.9 3.4 77 100 A I H <5S+ 0 0 45 -4,-2.3 -3,-0.2 -5,-0.4 -2,-0.1 0.878 132.5 26.4 -84.7 -40.1 -2.6 -27.1 6.1 78 101 A C T < - 0 0 1 -3,-0.4 4,-2.6 50,-0.2 5,-0.2 -0.671 25.4-143.8 -84.0 122.7 20.8 -18.5 -12.2 93 116 A G H > S+ 0 0 20 -2,-0.5 4,-2.3 1,-0.2 5,-0.2 0.880 97.6 49.2 -50.6 -50.8 24.1 -20.2 -11.4 94 117 A G H > S+ 0 0 7 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.879 113.0 47.0 -59.9 -42.8 22.7 -23.8 -11.7 95 118 A I H >> S+ 0 0 2 2,-0.2 4,-2.9 1,-0.2 3,-0.5 0.940 111.6 50.8 -64.8 -47.7 21.0 -23.1 -15.0 96 119 A K H 3X S+ 0 0 81 -4,-2.6 4,-3.1 1,-0.2 6,-0.3 0.885 104.0 59.2 -54.9 -43.4 24.2 -21.4 -16.5 97 120 A T H 3<>S+ 0 0 23 -4,-2.3 5,-2.6 1,-0.2 6,-1.0 0.840 113.3 38.0 -57.8 -37.6 26.3 -24.4 -15.4 98 121 A C H X<5S+ 0 0 0 -4,-1.1 3,-1.9 -3,-0.5 -2,-0.2 0.917 115.2 52.7 -76.2 -47.7 24.2 -26.7 -17.5 99 122 A L H 3<5S+ 0 0 11 -4,-2.9 -2,-0.2 1,-0.3 -3,-0.2 0.847 112.4 45.2 -57.5 -40.6 23.7 -24.2 -20.4 100 123 A T T 3<5S- 0 0 55 -4,-3.1 -1,-0.3 -5,-0.2 -2,-0.1 0.239 114.3-119.0 -87.1 11.3 27.5 -23.7 -20.7 101 124 A N T < 5S+ 0 0 94 -3,-1.9 -3,-0.2 -5,-0.1 -2,-0.1 0.823 76.9 127.4 53.8 38.3 28.1 -27.5 -20.5 102 125 A Q > < + 0 0 121 -5,-2.6 3,-0.5 -6,-0.3 4,-0.2 0.395 44.6 86.1-102.5 -2.0 30.1 -27.1 -17.3 103 126 A R G > S+ 0 0 17 -6,-1.0 3,-1.9 1,-0.2 -1,-0.1 0.894 81.9 62.6 -63.9 -42.0 28.1 -29.6 -15.2 104 127 A E G 3 S+ 0 0 149 1,-0.3 4,-0.3 2,-0.1 -1,-0.2 0.790 100.5 55.1 -47.3 -34.3 30.3 -32.5 -16.6 105 128 A A G <> S+ 0 0 44 -3,-0.5 4,-0.7 1,-0.2 -1,-0.3 0.507 84.3 85.8 -85.7 -6.1 33.3 -30.8 -14.9 106 129 A L T X4>S+ 0 0 13 -3,-1.9 5,-2.2 -4,-0.2 3,-1.0 0.913 83.8 53.8 -65.3 -45.5 31.8 -30.7 -11.4 107 130 A P G >45S+ 0 0 47 0, 0.0 3,-1.4 0, 0.0 5,-0.3 0.859 102.7 60.8 -57.7 -32.7 32.9 -34.2 -10.3 108 131 A K G 345S+ 0 0 167 -4,-0.3 -2,-0.2 1,-0.3 -3,-0.1 0.776 106.4 45.7 -61.9 -30.2 36.5 -33.3 -11.2 109 132 A V G <<5S- 0 0 78 -3,-1.0 -1,-0.3 -4,-0.7 -3,-0.1 0.046 126.8 -95.3-106.6 25.7 36.5 -30.4 -8.6 110 133 A N T < 5S+ 0 0 124 -3,-1.4 3,-0.2 1,-0.1 -2,-0.1 0.772 94.2 117.1 68.8 32.7 34.9 -32.5 -5.8 111 134 A C >< + 0 0 0 -5,-2.2 4,-2.3 1,-0.1 -3,-0.1 -0.226 22.2 134.0-118.7 39.7 31.4 -31.3 -6.5 112 135 A S H > S+ 0 0 58 -5,-0.3 4,-2.2 1,-0.2 -1,-0.1 0.802 73.4 51.4 -60.6 -33.3 29.9 -34.7 -7.4 113 136 A H H > S+ 0 0 61 2,-0.2 4,-2.8 1,-0.2 156,-0.3 0.881 108.9 48.7 -74.8 -39.5 26.8 -34.0 -5.2 114 137 A L H > S+ 0 0 3 154,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.887 110.6 55.4 -57.4 -42.7 26.1 -30.6 -6.8 115 138 A Y H < S+ 0 0 84 -4,-2.3 3,-0.3 2,-0.2 -2,-0.2 0.961 111.5 40.7 -51.9 -57.4 26.5 -32.5 -10.1 116 139 A K H >< S+ 0 0 139 -4,-2.2 3,-2.1 1,-0.2 4,-0.3 0.938 112.4 56.3 -59.7 -45.8 23.8 -35.1 -9.1 117 140 A Y H >< S+ 0 0 12 -4,-2.8 3,-0.6 1,-0.3 -1,-0.2 0.821 104.0 54.1 -56.4 -34.6 21.6 -32.3 -7.6 118 141 A L T 3X S+ 0 0 1 -4,-2.0 4,-2.0 -3,-0.3 3,-0.4 0.363 76.0 105.9 -85.2 6.4 21.6 -30.4 -10.9 119 142 A D H <> S+ 0 0 81 -3,-2.1 4,-2.7 1,-0.2 -1,-0.2 0.894 78.3 51.8 -47.7 -49.3 20.4 -33.5 -12.9 120 143 A D H <> S+ 0 0 10 -3,-0.6 4,-1.9 -4,-0.3 -1,-0.2 0.865 109.6 48.9 -60.6 -38.3 16.9 -32.0 -13.2 121 144 A I H > S+ 0 0 0 -3,-0.4 4,-2.4 -4,-0.2 -1,-0.2 0.853 112.4 47.9 -69.0 -38.7 18.3 -28.7 -14.6 122 145 A D H X S+ 0 0 19 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.883 109.2 53.7 -69.7 -42.4 20.5 -30.5 -17.1 123 146 A T H X S+ 0 0 48 -4,-2.7 4,-2.5 -5,-0.2 -2,-0.2 0.897 110.6 47.1 -57.1 -45.4 17.5 -32.7 -18.2 124 147 A M H X S+ 0 0 1 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.952 110.4 52.5 -59.6 -51.0 15.5 -29.5 -18.8 125 148 A Y H < S+ 0 0 35 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.879 112.3 45.5 -53.1 -43.8 18.4 -28.0 -20.8 126 149 A H H >< S+ 0 0 101 -4,-2.5 3,-1.8 1,-0.2 4,-0.3 0.938 110.4 52.4 -65.9 -49.5 18.6 -31.1 -23.0 127 150 A E H 3< S+ 0 0 113 -4,-2.5 3,-0.4 1,-0.3 -2,-0.2 0.834 111.8 50.2 -50.8 -34.1 14.8 -31.2 -23.6 128 151 A E T >X S+ 0 0 30 -4,-2.0 4,-2.4 1,-0.2 3,-1.6 0.380 76.4 104.3 -91.8 2.8 15.1 -27.6 -24.6 129 152 A S H <> S+ 0 0 55 -3,-1.8 4,-1.6 1,-0.3 -1,-0.2 0.883 79.5 52.7 -54.0 -45.2 18.0 -27.9 -27.2 130 153 A Q H 34 S+ 0 0 137 -3,-0.4 -1,-0.3 -4,-0.3 -2,-0.1 0.602 115.0 42.2 -69.3 -12.4 15.7 -27.6 -30.2 131 154 A N H X4 S+ 0 0 74 -3,-1.6 3,-0.8 2,-0.1 4,-0.3 0.724 108.9 57.7 -98.3 -32.0 14.2 -24.3 -28.8 132 155 A L H >< S+ 0 0 7 -4,-2.4 3,-2.1 1,-0.2 -2,-0.2 0.846 91.5 71.6 -63.3 -35.3 17.5 -22.9 -27.6 133 156 A I T 3< S+ 0 0 111 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.1 0.717 91.9 57.4 -59.7 -24.3 19.0 -23.0 -31.2 134 157 A H T < S+ 0 0 135 -3,-0.8 2,-0.5 -4,-0.1 -1,-0.3 0.609 90.5 82.9 -81.4 -16.2 16.7 -20.2 -32.3 135 158 A L < - 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0 0 3 -3,-0.3 4,-2.6 50,-0.2 3,-0.4 -0.733 24.5-146.9 -86.6 119.5 10.4 -23.0 16.2 292 116 B G H > S+ 0 0 25 -2,-0.6 4,-2.3 1,-0.2 5,-0.1 0.872 96.4 51.0 -53.6 -47.2 7.1 -24.5 15.0 293 117 B G H > S+ 0 0 6 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.852 113.1 46.3 -61.7 -37.1 8.5 -27.9 14.1 294 118 B I H > S+ 0 0 2 -3,-0.4 4,-3.1 2,-0.2 -2,-0.2 0.917 112.4 49.6 -68.9 -45.0 10.2 -28.2 17.5 295 119 B K H X S+ 0 0 78 -4,-2.6 4,-2.2 1,-0.2 6,-0.2 0.818 104.9 59.4 -65.5 -33.0 7.1 -27.1 19.3 296 120 B T H <>S+ 0 0 30 -4,-2.3 5,-3.0 -5,-0.2 6,-1.0 0.904 114.5 35.7 -58.8 -43.5 5.0 -29.7 17.4 297 121 B C H ><5S+ 0 0 0 -4,-1.2 3,-1.8 3,-0.2 -2,-0.2 0.920 115.1 54.8 -76.0 -46.9 7.2 -32.5 18.8 298 122 B L H 3<5S+ 0 0 6 -4,-3.1 -2,-0.2 1,-0.3 -3,-0.2 0.884 113.1 42.6 -53.3 -43.8 7.7 -30.9 22.2 299 123 B T T 3<5S- 0 0 58 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.258 114.3-118.5 -91.3 11.2 3.9 -30.7 22.7 300 124 B N T < 5S+ 0 0 85 -3,-1.8 -3,-0.2 1,-0.1 -2,-0.1 0.842 77.7 124.9 54.6 42.1 3.4 -34.2 21.3 301 125 B Q > < + 0 0 117 -5,-3.0 3,-1.0 -6,-0.2 4,-0.3 0.394 45.1 89.3-106.8 1.0 1.3 -33.0 18.4 302 126 B R G > S+ 0 0 16 -6,-1.0 3,-1.9 1,-0.2 -1,-0.1 0.881 81.4 62.8 -59.6 -37.5 3.4 -34.6 15.7 303 127 B E G 3 S+ 0 0 130 1,-0.3 4,-0.3 -7,-0.2 -1,-0.2 0.710 96.1 60.1 -62.8 -19.6 1.3 -37.7 16.1 304 128 B A G <> S+ 0 0 32 -3,-1.0 4,-0.8 1,-0.2 -1,-0.3 0.563 82.4 85.4 -82.1 -11.0 -1.7 -35.6 14.9 305 129 B L T X4>S+ 0 0 12 -3,-1.9 5,-2.4 -4,-0.3 3,-0.7 0.879 82.3 54.1 -67.3 -43.4 -0.2 -34.9 11.5 306 130 B P G >45S+ 0 0 59 0, 0.0 3,-1.4 0, 0.0 5,-0.3 0.879 104.7 57.3 -56.0 -38.1 -1.2 -38.0 9.6 307 131 B K G 345S+ 0 0 138 -4,-0.3 -2,-0.2 1,-0.3 -3,-0.1 0.788 106.5 49.0 -60.0 -33.5 -4.9 -37.4 10.5 308 132 B V G <<5S- 0 0 72 -4,-0.8 -1,-0.3 -3,-0.7 -3,-0.1 0.095 124.4-100.6-100.7 24.1 -4.8 -33.9 8.9 309 133 B N T < 5S+ 0 0 126 -3,-1.4 3,-0.1 1,-0.1 -2,-0.1 0.829 91.8 118.0 64.4 35.3 -3.2 -35.2 5.7 310 134 B C >< + 0 0 0 -5,-2.4 4,-2.2 -6,-0.1 -3,-0.1 -0.331 20.3 137.0-121.4 47.3 0.3 -34.1 6.7 311 135 B S H > S+ 0 0 60 -5,-0.3 4,-1.8 1,-0.2 -1,-0.1 0.760 73.1 52.4 -71.1 -23.9 2.0 -37.5 6.7 312 136 B H H > S+ 0 0 56 2,-0.2 4,-2.9 1,-0.2 -242,-0.3 0.893 108.0 48.6 -79.3 -41.1 5.1 -36.1 4.9 313 137 B L H > S+ 0 0 3 -244,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.901 110.0 56.7 -57.0 -39.7 5.6 -33.3 7.3 314 138 B Y H < S+ 0 0 87 -4,-2.2 3,-0.2 2,-0.2 -2,-0.2 0.947 111.1 40.2 -55.0 -52.1 5.2 -36.1 9.9 315 139 B K H >< S+ 0 0 145 -4,-1.8 3,-1.8 1,-0.2 4,-0.3 0.912 111.8 57.5 -66.0 -41.8 8.1 -38.0 8.4 316 140 B Y H >< S+ 0 0 13 -4,-2.9 3,-0.5 1,-0.3 4,-0.2 0.811 103.6 53.8 -55.2 -35.5 10.2 -34.9 7.8 317 141 B L T 3X S+ 0 0 2 -4,-1.8 4,-2.3 -3,-0.2 3,-0.4 0.395 75.7 104.3 -87.1 4.8 10.0 -34.0 11.5 318 142 B D H <> S+ 0 0 84 -3,-1.8 4,-2.9 1,-0.2 -1,-0.2 0.892 79.2 52.4 -50.1 -46.3 11.4 -37.4 12.6 319 143 B D H <> S+ 0 0 10 -3,-0.5 4,-2.1 -4,-0.3 -1,-0.2 0.880 109.7 47.8 -60.6 -42.2 14.8 -35.9 13.4 320 144 B I H > S+ 0 0 0 -3,-0.4 4,-2.5 -4,-0.2 -1,-0.2 0.892 113.8 47.7 -64.9 -41.3 13.3 -33.2 15.6 321 145 B D H X S+ 0 0 17 -4,-2.3 4,-2.8 2,-0.2 -2,-0.2 0.878 109.2 52.9 -70.6 -39.3 11.2 -35.8 17.4 322 146 B T H X S+ 0 0 48 -4,-2.9 4,-2.8 -5,-0.2 -2,-0.2 0.928 110.7 48.3 -58.5 -44.7 14.2 -38.1 17.9 323 147 B M H X S+ 0 0 0 -4,-2.1 4,-1.7 -5,-0.2 -2,-0.2 0.934 110.2 51.7 -59.6 -46.7 16.1 -35.1 19.4 324 148 B Y H < S+ 0 0 33 -4,-2.5 4,-0.4 2,-0.2 -2,-0.2 0.930 113.4 44.0 -55.7 -48.2 13.1 -34.3 21.7 325 149 B H H >< S+ 0 0 104 -4,-2.8 3,-1.2 1,-0.2 4,-0.3 0.915 111.3 53.2 -65.2 -43.8 12.9 -38.0 22.9 326 150 B E H 3< S+ 0 0 115 -4,-2.8 3,-0.3 1,-0.2 -1,-0.2 0.809 115.3 42.7 -56.2 -31.8 16.7 -38.2 23.3 327 151 B E T 3X S+ 0 0 33 -4,-1.7 4,-1.1 -5,-0.2 -1,-0.2 0.407 81.4 107.5 -98.0 1.0 16.5 -35.0 25.5 328 152 B S T <4 S+ 0 0 38 -3,-1.2 4,-0.5 -4,-0.4 3,-0.2 0.804 82.9 43.3 -57.1 -39.4 13.4 -35.9 27.5 329 153 B Q T >4 S+ 0 0 153 -4,-0.3 3,-1.0 -3,-0.3 4,-0.4 0.884 112.0 55.3 -70.9 -38.8 15.2 -36.6 30.8 330 154 B N T 34 S+ 0 0 81 1,-0.2 -2,-0.2 -4,-0.2 3,-0.2 0.695 106.4 53.6 -61.5 -22.2 17.4 -33.5 30.2 331 155 B L T >< S+ 0 0 4 -4,-1.1 3,-1.5 -3,-0.2 -1,-0.2 0.569 81.8 89.6 -90.1 -14.6 14.1 -31.5 29.9 332 156 B I T < S+ 0 0 88 -3,-1.0 -1,-0.2 -4,-0.5 -2,-0.1 0.842 82.4 56.3 -54.7 -40.4 12.5 -32.6 33.2 333 157 B H T 3 S+ 0 0 123 -4,-0.4 2,-0.8 -3,-0.2 -1,-0.3 0.661 89.0 86.3 -69.5 -16.5 14.0 -29.7 35.3 334 158 B L < - 0 0 21 -3,-1.5 6,-0.1 1,-0.1 -1,-0.1 -0.787 58.1-173.7 -92.4 111.2 12.5 -27.1 32.9 335 159 B K + 0 0 157 -2,-0.8 2,-0.3 4,-0.0 -1,-0.1 0.617 60.4 63.1 -83.8 -16.4 9.0 -26.4 34.2 336 160 B T S > S- 0 0 67 1,-0.1 4,-2.2 0, 0.0 3,-0.2 -0.845 75.0-132.3-112.4 150.1 7.7 -24.2 31.4 337 161 B Q H > S+ 0 0 95 -2,-0.3 4,-2.9 1,-0.2 5,-0.2 0.836 109.3 61.3 -62.3 -34.1 7.1 -24.9 27.7 338 162 B R H > S+ 0 0 164 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.904 107.2 43.3 -55.6 -46.8 9.0 -21.6 27.0 339 163 B E H > S+ 0 0 91 2,-0.2 4,-2.8 1,-0.2 -2,-0.2 0.928 114.8 49.3 -67.6 -44.8 12.2 -23.0 28.7 340 164 B K H X S+ 0 0 35 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.918 111.5 49.2 -59.0 -46.3 11.8 -26.4 27.0 341 165 B S H X S+ 0 0 11 -4,-2.9 4,-2.4 2,-0.2 -1,-0.2 0.884 111.6 49.4 -61.7 -42.6 11.3 -24.8 23.6 342 166 B H H X S+ 0 0 71 -4,-2.0 4,-2.2 -5,-0.2 -2,-0.2 0.941 111.1 49.3 -59.6 -49.7 14.4 -22.6 24.2 343 167 B Y H X S+ 0 0 67 -4,-2.8 4,-2.6 1,-0.2 -2,-0.2 0.909 114.0 45.9 -54.7 -45.1 16.5 -25.6 25.2 344 168 B L H X S+ 0 0 1 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.838 108.4 54.4 -74.8 -36.3 15.4 -27.6 22.1 345 169 B S H X S+ 0 0 1 -4,-2.4 4,-1.5 2,-0.2 -1,-0.2 0.920 113.8 43.6 -54.4 -47.4 16.0 -24.7 19.7 346 170 B H H X S+ 0 0 62 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.918 112.3 52.3 -65.2 -49.1 19.6 -24.4 21.0 347 171 B C H X S+ 0 0 27 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.898 107.2 53.6 -54.2 -44.7 20.0 -28.3 21.0 348 172 B N H X S+ 0 0 2 -4,-2.4 4,-2.4 2,-0.2 5,-0.3 0.869 103.7 55.4 -63.4 -38.3 18.9 -28.3 17.3 349 173 B V H X S+ 0 0 0 -4,-1.5 4,-2.8 2,-0.2 -1,-0.2 0.965 113.2 42.0 -54.9 -50.8 21.5 -25.7 16.3 350 174 B K H X S+ 0 0 79 -4,-1.9 4,-2.7 1,-0.2 -2,-0.2 0.884 112.0 55.5 -65.5 -40.0 24.2 -27.9 17.8 351 175 B R H X S+ 0 0 39 -4,-2.6 4,-0.8 2,-0.2 -1,-0.2 0.912 115.5 36.5 -57.0 -48.9 22.7 -31.1 16.3 352 176 B Q H X S+ 0 0 0 -4,-2.4 4,-1.9 2,-0.2 3,-0.4 0.891 115.2 55.5 -75.7 -39.7 22.7 -29.7 12.7 353 177 B F H X S+ 0 0 1 -4,-2.8 4,-2.4 -5,-0.3 5,-0.2 0.907 102.5 58.2 -51.4 -47.3 26.0 -27.9 13.2 354 178 B N H < S+ 0 0 63 -4,-2.7 4,-0.3 1,-0.2 -1,-0.2 0.819 107.9 45.4 -59.6 -33.5 27.6 -31.2 14.2 355 179 B R H >X S+ 0 0 50 -4,-0.8 3,-0.7 -3,-0.4 4,-0.6 0.880 109.9 54.3 -75.5 -41.5 26.7 -32.8 11.0 356 180 B I H >< S+ 0 0 0 -4,-1.9 3,-1.1 1,-0.2 6,-0.3 0.904 106.4 51.1 -58.9 -46.9 27.8 -29.8 8.8 357 181 B I T 3< S+ 0 0 1 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.614 105.5 57.1 -70.9 -13.4 31.3 -29.8 10.3 358 182 B E T <4 S+ 0 0 108 -3,-0.7 -1,-0.3 -4,-0.3 -2,-0.2 0.560 80.6 108.9 -90.8 -10.7 31.7 -33.6 9.6 359 183 B N S S+ 0 0 89 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.832 105.2 53.0 -58.9 -36.6 34.3 -33.5 4.0 361 185 B T H > S+ 0 0 16 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.929 112.7 44.7 -62.4 -47.2 34.0 -30.3 2.0 362 186 B V H > S+ 0 0 0 -6,-0.3 4,-2.2 2,-0.2 5,-0.2 0.915 113.3 50.1 -62.5 -46.4 33.5 -28.3 5.2 363 187 B Q H X S+ 0 0 61 -4,-2.5 4,-2.6 2,-0.2 5,-0.2 0.897 110.1 49.9 -63.6 -43.6 36.4 -30.1 7.0 364 188 B T H X S+ 0 0 79 -4,-2.3 4,-1.9 -5,-0.2 -1,-0.2 0.957 113.5 45.1 -58.7 -51.7 38.9 -29.6 4.2 365 189 B A H <>S+ 0 0 7 -4,-2.0 5,-2.8 2,-0.2 6,-0.8 0.864 114.6 48.0 -63.7 -38.2 38.1 -25.8 3.9 366 190 B V H ><5S+ 0 0 0 -4,-2.2 3,-1.4 4,-0.2 -1,-0.2 0.930 112.0 48.9 -68.6 -44.6 38.3 -25.3 7.7 367 191 B Q H 3<5S+ 0 0 106 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.823 108.6 54.4 -66.5 -28.3 41.5 -27.2 8.0 368 192 B N T 3<5S- 0 0 94 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.563 115.1-120.8 -75.0 -12.2 42.9 -25.2 5.1 369 193 B G T < 5S+ 0 0 45 -3,-1.4 -3,-0.2 -4,-0.3 -2,-0.1 0.766 86.4 112.5 74.6 26.8 42.0 -22.1 7.1 370 194 B E S > - 0 0 39 5,-2.4 4,-2.2 -2,-0.5 3,-1.0 -0.808 5.8-161.4 -90.6 112.5 16.0 -14.9 19.4 380 204 B V T 34 S+ 0 0 14 -2,-0.8 -1,-0.1 1,-0.2 -90,-0.0 0.680 86.2 64.2 -67.3 -19.4 12.6 -13.9 17.8 381 205 B E T 34 S+ 0 0 98 1,-0.1 -1,-0.2 -357,-0.1 -357,-0.1 0.751 124.6 8.4 -75.5 -24.1 11.7 -11.8 20.8 382 206 B D T <4 S- 0 0 53 -3,-1.0 -2,-0.2 2,-0.2 -365,-0.2 0.393 93.7-116.8-138.8 -1.2 14.6 -9.3 20.3 383 207 B G < + 0 0 0 -4,-2.2 2,-0.3 1,-0.2 -3,-0.1 0.541 67.4 139.7 74.0 9.0 16.3 -10.0 16.9 384 208 B L - 0 0 69 -5,-0.5 -5,-2.4 -371,-0.1 2,-0.5 -0.687 48.5-132.4 -95.9 139.1 19.6 -10.9 18.6 385 209 B L E -I 378 0A 16 -2,-0.3 2,-0.4 -7,-0.2 -7,-0.2 -0.725 15.1-159.1 -87.9 126.6 22.0 -13.8 17.6 386 210 B Q E -I 377 0A 79 -9,-2.9 -9,-2.7 -2,-0.5 2,-0.5 -0.866 21.0-123.2-100.3 136.5 23.3 -16.1 20.3 387 211 B T E +I 376 0A 56 -2,-0.4 -11,-0.2 -11,-0.2 3,-0.1 -0.712 35.2 167.4 -80.5 122.1 26.5 -18.0 19.6 388 212 B V E - 0 0 24 -13,-3.2 2,-0.3 -2,-0.5 -12,-0.2 0.804 63.9 -13.0 -97.8 -45.4 25.9 -21.8 20.1 389 213 B S E -I 375 0A 15 -14,-1.8 -14,-4.0 2,-0.0 -1,-0.4 -0.990 53.8-161.4-157.0 154.9 29.0 -23.3 18.5 390 214 B T E -I 374 0A 49 -2,-0.3 2,-0.4 -16,-0.2 -16,-0.2 -0.986 0.6-166.5-141.6 150.3 32.0 -22.4 16.3 391 215 B Y E +I 373 0A 10 -18,-2.5 -18,-2.9 -2,-0.3 2,-0.3 -0.975 21.6 154.4-139.4 120.3 34.5 -24.4 14.3 392 216 B T > - 0 0 19 -2,-0.4 3,-1.7 -20,-0.2 -20,-0.1 -0.843 59.2 -85.4-135.9 173.9 37.7 -22.9 12.9 393 217 B K T 3 S+ 0 0 138 -2,-0.3 -21,-0.0 1,-0.3 -27,-0.0 0.857 130.1 33.9 -46.2 -43.0 41.2 -24.0 11.8 394 218 B V T 3 S+ 0 0 132 2,-0.1 -1,-0.3 -25,-0.0 -27,-0.0 0.158 102.9 90.2-106.1 15.9 42.4 -23.8 15.4 395 219 B T S < S- 0 0 44 -3,-1.7 -3,-0.2 2,-0.0 2,-0.0 -0.944 74.9-123.8-114.5 130.5 39.2 -24.8 17.2 396 220 B P 0 0 113 0, 0.0 -6,-0.2 0, 0.0 -4,-0.1 -0.366 360.0 360.0 -65.6 153.6 38.3 -28.5 18.1 397 221 B K 0 0 84 -6,-0.1 -7,-0.1 -40,-0.0 -40,-0.1 0.864 360.0 360.0 -66.3 360.0 35.0 -29.8 16.8