==== 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 LYASE 05-AUG-08 3E31 . COMPND 2 MOLECULE: CARBONIC ANHYDRASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: HAEMOPHILUS INFLUENZAE; . AUTHOR R.S.ROWLETT,J.LEE . 364 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16052.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 273 75.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 38 10.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 13 3.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 1 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 . 26 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 41 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 141 38.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 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 3 1 0 2 2 0 0 0 2 0 1 3 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 0 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 PARALLEL BRIDGES PER LADDER . 0 1 1 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 1 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 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 33 A Q 0 0 165 0, 0.0 26,-0.0 0, 0.0 25,-0.0 0.000 360.0 360.0 360.0 -14.1 -48.7 -10.3 -3.3 2 34 A T - 0 0 70 24,-0.1 2,-0.2 26,-0.0 54,-0.0 0.522 360.0-100.3 92.9 138.8 -45.3 -11.9 -4.3 3 35 A P - 0 0 7 0, 0.0 24,-0.1 0, 0.0 3,-0.1 -0.563 23.4-175.6 -89.0 155.5 -42.6 -11.5 -7.1 4 36 A H + 0 0 76 -2,-0.2 55,-1.2 1,-0.2 56,-0.4 0.341 64.3 58.2-129.6 0.9 -42.4 -13.7 -10.2 5 37 A Y - 0 0 85 53,-0.1 24,-0.8 54,-0.1 2,-0.4 -0.862 61.8-155.3-144.5 104.5 -39.2 -12.5 -12.0 6 38 A L E -ab 29 61A 0 54,-2.5 56,-2.2 -2,-0.3 2,-0.4 -0.663 11.3-161.4 -80.3 127.2 -35.5 -12.4 -10.6 7 39 A W E -ab 30 62A 10 22,-2.9 24,-2.3 -2,-0.4 2,-0.5 -0.892 9.0-168.8-110.4 133.6 -33.2 -9.9 -12.2 8 40 A I E +ab 31 63A 1 54,-1.9 56,-2.0 -2,-0.4 24,-0.2 -0.843 25.6 162.4-121.5 92.3 -29.4 -10.2 -11.9 9 41 A G E -a 32 0A 0 22,-1.5 24,-1.4 -2,-0.5 2,-0.4 -0.302 41.2 -82.4-102.0-175.4 -27.8 -6.9 -13.2 10 42 A C E > -a 33 0A 0 54,-0.3 4,-0.9 22,-0.2 24,-0.2 -0.750 23.7-133.3 -91.8 137.1 -24.5 -5.2 -12.9 11 43 A S T 4 S+ 0 0 0 22,-1.3 2,-4.0 -2,-0.4 202,-0.2 0.692 83.6 105.7 -51.7 -21.3 -23.7 -3.1 -9.9 12 44 A D T 4 S- 0 0 20 21,-0.3 -1,-0.2 1,-0.2 3,-0.1 -0.137 108.2 -98.9 -60.9 51.8 -22.4 -0.5 -12.5 13 45 A S T 4 S+ 0 0 15 -2,-4.0 2,-0.2 200,-0.1 -1,-0.2 0.699 93.8 122.5 34.6 28.2 -25.5 1.6 -11.8 14 46 A R < + 0 0 81 -4,-0.9 3,-0.2 1,-0.2 -1,-0.1 -0.670 44.6 39.9-117.7 168.2 -26.8 -0.1 -15.0 15 47 A A - 0 0 0 -2,-0.2 2,-2.1 1,-0.2 -1,-0.2 0.968 65.1-160.4 49.0 56.7 -29.8 -2.2 -15.8 16 48 A P > - 0 0 36 0, 0.0 4,-2.6 0, 0.0 5,-0.3 -0.559 11.6-163.3 -57.0 91.2 -32.1 -0.1 -13.6 17 49 A A H >> S+ 0 0 0 -2,-2.1 4,-2.2 -3,-0.2 3,-1.2 0.959 81.6 61.6 -44.7 -80.9 -34.3 -3.2 -13.7 18 50 A E H 34 S+ 0 0 46 1,-0.2 2,-0.5 2,-0.2 10,-0.0 -0.321 116.5 25.0 -21.5 123.5 -37.1 -1.1 -12.6 19 51 A K H 34 S+ 0 0 161 4,-0.1 -1,-0.2 1,-0.1 -2,-0.2 -0.350 116.5 62.7 88.3 -48.1 -37.1 1.3 -15.7 20 52 A L H << S+ 0 0 32 -4,-2.6 -2,-0.2 -3,-1.2 -3,-0.2 0.818 116.1 27.9 -76.7 -29.7 -35.6 -1.1 -18.2 21 53 A T S < S- 0 0 49 -4,-2.2 -3,-0.1 -5,-0.3 -4,-0.1 0.920 78.0-159.0 -90.5 -68.9 -38.4 -3.6 -18.0 22 54 A N + 0 0 135 -5,-0.3 2,-0.3 1,-0.3 -4,-0.1 0.950 38.5 137.2 62.6 77.2 -41.6 -1.8 -17.1 23 55 A L - 0 0 53 4,-0.0 -1,-0.3 5,-0.0 4,-0.2 -0.946 69.0 -44.0-135.7 141.5 -43.6 -4.7 -15.7 24 56 A E > - 0 0 101 -2,-0.3 3,-2.0 1,-0.1 2,-0.2 0.360 65.2-119.3 10.2 91.1 -45.8 -4.5 -12.6 25 57 A P T 3 S+ 0 0 135 0, 0.0 -1,-0.1 0, 0.0 3,-0.0 -0.361 99.4 36.7 -56.0 120.5 -43.9 -2.7 -9.7 26 58 A G T 3 S+ 0 0 32 -2,-0.2 2,-0.5 -3,-0.2 -24,-0.1 0.096 94.9 87.8 118.0 -19.0 -43.4 -5.2 -6.8 27 59 A E < + 0 0 25 -3,-2.0 2,-0.2 -4,-0.2 -23,-0.1 -0.615 66.5 89.7-109.7 69.5 -42.9 -8.3 -8.9 28 60 A L - 0 0 19 -2,-0.5 2,-0.4 -24,-0.1 -22,-0.2 -0.688 53.2-164.0-164.4 100.0 -39.1 -8.0 -9.4 29 61 A F E -a 6 0A 0 -24,-0.8 -22,-2.9 -2,-0.2 2,-0.4 -0.732 25.1-163.4 -73.0 136.2 -36.6 -9.6 -7.0 30 62 A V E +a 7 0A 0 164,-0.6 2,-0.3 -2,-0.4 -22,-0.2 -0.986 21.7 175.5-129.5 142.7 -33.2 -7.9 -7.9 31 63 A H E -a 8 0A 0 -24,-2.3 -22,-1.5 -2,-0.4 2,-0.3 -0.980 10.4-173.0-135.9 139.9 -29.5 -8.7 -7.2 32 64 A R E +a 9 0A 7 183,-0.4 183,-0.3 -2,-0.3 2,-0.3 -0.982 10.9 157.8-131.4 142.5 -26.6 -6.7 -8.5 33 65 A N E > -a 10 0A 0 -24,-1.4 3,-2.7 -2,-0.3 -22,-1.3 -0.977 53.3 -62.3-156.0 163.4 -22.9 -7.3 -8.4 34 66 A V G > S- 0 0 5 193,-0.4 3,-0.5 -2,-0.3 197,-0.1 -0.274 122.6 -4.7 -54.2 127.5 -19.8 -6.3 -10.2 35 67 A A G 3 S- 0 0 0 1,-0.2 -1,-0.3 2,-0.0 -25,-0.1 0.632 111.7 -93.6 57.0 20.5 -20.0 -7.6 -13.9 36 68 A N G < - 0 0 4 -3,-2.7 2,-0.3 -27,-0.2 -1,-0.2 0.920 68.2-179.1 40.9 67.4 -23.2 -9.3 -13.0 37 69 A Q < - 0 0 3 -3,-0.5 2,-0.4 -28,-0.1 -1,-0.1 -0.677 34.5-159.0 -99.2 150.0 -21.6 -12.7 -12.1 38 70 A V - 0 0 1 -2,-0.3 2,-0.3 7,-0.1 87,-0.0 -0.812 24.3-170.0-121.8 92.2 -22.9 -16.1 -10.9 39 71 A I > - 0 0 12 -2,-0.4 3,-2.1 1,-0.1 7,-0.2 -0.627 28.5-125.8 -87.2 139.1 -20.0 -17.8 -9.3 40 72 A H T 3 S+ 0 0 101 -2,-0.3 -1,-0.1 1,-0.3 0, 0.0 0.830 108.4 35.8 -51.1 -39.3 -20.1 -21.5 -8.4 41 73 A T T 3 S+ 0 0 119 1,-0.0 2,-0.9 5,-0.0 -1,-0.3 0.025 83.3 120.1-110.5 29.6 -19.1 -20.8 -4.8 42 74 A D <> - 0 0 10 -3,-2.1 4,-2.3 1,-0.2 5,-0.3 -0.753 36.5-173.7 -96.8 100.6 -20.8 -17.4 -4.0 43 75 A F H > S+ 0 0 87 -2,-0.9 4,-3.4 1,-0.2 5,-0.2 0.876 81.1 61.9 -52.7 -45.5 -23.3 -17.7 -1.1 44 76 A N H > S+ 0 0 0 2,-0.2 4,-1.4 1,-0.2 173,-0.4 0.928 115.6 29.4 -44.6 -62.1 -24.5 -14.1 -1.5 45 77 A C H >> S+ 0 0 0 2,-0.2 4,-3.0 1,-0.2 3,-1.2 0.990 119.8 51.5 -67.7 -62.0 -25.8 -14.7 -5.0 46 78 A L H 3X S+ 0 0 15 -4,-2.3 4,-3.8 1,-0.3 -2,-0.2 0.854 107.2 57.8 -45.7 -36.8 -26.7 -18.3 -4.7 47 79 A S H 3X S+ 0 0 0 -4,-3.4 4,-2.8 -5,-0.3 -1,-0.3 0.901 109.8 42.9 -61.0 -43.6 -28.6 -17.4 -1.5 48 80 A V H S+ 0 0 10 -4,-3.8 4,-1.1 -5,-0.3 5,-1.0 0.940 110.4 49.4 -60.7 -54.5 -32.3 -19.9 -3.7 51 83 A Y H X>S+ 0 0 21 -4,-2.8 5,-1.3 1,-0.2 4,-0.8 0.974 115.0 47.2 -51.0 -51.9 -34.7 -17.6 -2.0 52 84 A A H <5S+ 0 0 0 -4,-3.0 6,-2.9 3,-0.2 -2,-0.2 0.887 121.4 33.5 -59.9 -45.4 -36.1 -16.8 -5.4 53 85 A V H X5S+ 0 0 0 -4,-2.7 4,-0.8 -5,-0.3 -3,-0.2 0.981 130.2 29.1 -74.7 -72.3 -36.4 -20.4 -6.7 54 86 A D H <5S+ 0 0 48 -4,-1.1 -3,-0.2 -5,-0.2 -2,-0.1 0.928 132.6 26.0 -58.9 -56.3 -37.3 -22.3 -3.5 55 87 A V T < - 0 0 1 -3,-0.2 4,-2.6 1,-0.1 5,-0.2 -0.897 39.5-143.2-119.2 133.6 -19.1 -1.8 -18.3 70 102 A G H > S+ 0 0 11 -2,-0.4 4,-3.5 1,-0.2 5,-0.2 0.850 99.9 52.6 -65.8 -39.2 -16.7 -1.1 -15.5 71 103 A G H > S+ 0 0 1 2,-0.2 4,-4.0 1,-0.2 -1,-0.2 0.954 111.5 46.5 -59.6 -51.2 -16.2 -4.7 -14.4 72 104 A I H > S+ 0 0 2 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.951 115.6 45.7 -60.1 -51.0 -15.4 -5.8 -17.8 73 105 A H H X S+ 0 0 74 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.935 115.8 46.6 -54.5 -47.4 -12.9 -2.9 -18.4 74 106 A A H < S+ 0 0 19 -4,-3.5 -2,-0.2 -5,-0.2 -1,-0.2 0.954 111.0 53.3 -61.0 -45.7 -11.5 -3.5 -14.9 75 107 A A H < S+ 0 0 3 -4,-4.0 -1,-0.2 1,-0.2 -2,-0.2 0.860 113.0 43.2 -54.4 -40.3 -11.3 -7.2 -15.7 76 108 A M H < S+ 0 0 37 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.820 106.3 70.2 -82.1 -32.0 -9.4 -6.6 -18.9 77 109 A A S < S- 0 0 50 -4,-2.4 -3,-0.0 -5,-0.2 0, 0.0 -0.018 79.0-129.2 -72.9-174.9 -7.0 -4.0 -17.5 78 110 A D + 0 0 133 2,-0.1 -1,-0.1 3,-0.0 -4,-0.1 0.607 57.2 126.9-114.5 -19.6 -4.2 -4.6 -15.1 79 111 A K - 0 0 173 1,-0.1 2,-1.2 2,-0.1 -2,-0.1 -0.167 61.2-130.2 -44.8 125.1 -4.5 -2.2 -12.2 80 112 A D + 0 0 147 1,-0.1 -1,-0.1 4,-0.0 3,-0.1 -0.781 31.6 176.9 -79.3 101.0 -4.6 -4.2 -9.0 81 113 A L > - 0 0 49 -2,-1.2 3,-0.8 1,-0.2 2,-0.3 -0.234 40.9-117.3 -95.9 34.6 -7.7 -2.6 -7.4 82 114 A G T >> S+ 0 0 42 1,-0.2 3,-0.9 2,-0.2 4,-0.6 -0.453 83.3 7.2 78.2-128.9 -7.5 -4.9 -4.3 83 115 A L H >> S+ 0 0 56 -2,-0.3 3,-1.9 1,-0.3 4,-1.3 0.910 120.6 66.7 -60.3 -44.4 -10.3 -7.4 -3.6 84 116 A I H <> S+ 0 0 1 -3,-0.8 4,-3.3 1,-0.3 -1,-0.3 0.783 89.2 67.8 -54.6 -28.0 -12.2 -6.7 -6.8 85 117 A N H <> S+ 0 0 29 -3,-0.9 4,-1.8 1,-0.2 -1,-0.3 0.930 100.6 49.1 -53.3 -47.1 -9.2 -8.3 -8.6 86 118 A N H < S+ 0 0 7 -4,-1.3 3,-1.2 1,-0.2 4,-0.5 0.955 114.3 46.0 -55.9 -50.1 -13.8 -11.2 -8.1 88 120 A L H >X S+ 0 0 3 -4,-3.3 4,-2.3 1,-0.2 3,-0.6 0.708 90.1 81.1 -72.6 -18.6 -12.8 -10.3 -11.6 89 121 A L H 3X S+ 0 0 90 -4,-1.8 4,-1.9 -3,-0.4 -1,-0.2 0.853 89.6 59.2 -52.1 -31.6 -10.2 -13.2 -12.0 90 122 A H H S+ 0 0 0 -3,-0.6 4,-1.9 -4,-0.5 -2,-0.2 0.827 108.4 58.0 -66.1 -34.2 -14.2 -13.0 -15.7 92 124 A R H X S+ 0 0 53 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.868 100.7 55.5 -69.6 -32.0 -10.6 -13.2 -16.7 93 125 A D H X S+ 0 0 93 -4,-1.9 4,-2.8 2,-0.2 -1,-0.2 0.852 105.3 52.9 -62.3 -34.0 -10.8 -17.0 -17.0 94 126 A I H X S+ 0 0 12 -4,-1.0 4,-2.0 2,-0.2 -2,-0.2 0.919 107.0 52.3 -66.8 -42.2 -13.8 -16.4 -19.3 95 127 A W H < S+ 0 0 60 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.905 111.6 46.7 -58.9 -39.5 -11.5 -14.2 -21.4 96 128 A F H >< S+ 0 0 138 -4,-2.0 3,-1.7 1,-0.2 4,-0.3 0.929 106.8 57.1 -70.5 -41.4 -9.0 -17.0 -21.5 97 129 A K H 3< S+ 0 0 113 -4,-2.8 -1,-0.2 1,-0.3 3,-0.2 0.843 119.8 30.6 -55.4 -40.4 -11.6 -19.6 -22.4 98 130 A H T 3X S+ 0 0 17 -4,-2.0 4,-2.4 1,-0.1 5,-0.4 0.013 83.5 125.0-106.7 29.1 -12.5 -17.6 -25.5 99 131 A G H <> S+ 0 0 25 -3,-1.7 4,-4.1 1,-0.2 -1,-0.1 0.890 70.7 52.9 -55.4 -48.5 -9.1 -16.1 -26.1 100 132 A H H 4 S+ 0 0 164 -4,-0.3 -1,-0.2 2,-0.2 -2,-0.1 0.941 113.3 43.2 -50.8 -55.3 -8.8 -17.4 -29.7 101 133 A L H >4 S+ 0 0 14 1,-0.2 3,-0.5 2,-0.1 -2,-0.2 0.954 123.7 35.6 -59.4 -59.1 -12.3 -15.8 -30.7 102 134 A L H 3< S+ 0 0 0 -4,-2.4 2,-2.5 1,-0.2 -1,-0.2 0.910 103.0 82.2 -54.9 -41.6 -11.7 -12.5 -28.9 103 135 A G T 3< S+ 0 0 54 -4,-4.1 -1,-0.2 -5,-0.4 -2,-0.1 0.082 93.3 45.6 -61.0 30.1 -8.0 -13.0 -30.0 104 136 A K S < S+ 0 0 101 -2,-2.5 2,-0.3 -3,-0.5 -1,-0.2 -0.379 88.7 98.0-169.1 79.9 -8.8 -11.6 -33.4 105 137 A L S S- 0 0 37 -3,-0.1 5,-0.2 78,-0.0 -3,-0.0 -0.897 85.0 -83.2-165.8 138.2 -10.9 -8.4 -33.1 106 138 A S >> - 0 0 68 -2,-0.3 3,-1.2 1,-0.2 4,-0.6 -0.265 49.9-126.6 -39.1 113.9 -10.5 -4.7 -33.2 107 139 A P H 3> S+ 0 0 88 0, 0.0 4,-0.7 0, 0.0 3,-0.4 0.701 108.6 62.6 -46.7 -25.7 -9.5 -4.3 -29.5 108 140 A E H >> S+ 0 0 142 1,-0.2 3,-0.8 2,-0.2 4,-0.6 0.959 103.0 48.7 -60.5 -50.5 -12.3 -1.7 -29.1 109 141 A K H <> S+ 0 0 112 -3,-1.2 4,-1.4 1,-0.2 -1,-0.2 0.551 94.8 78.3 -69.1 -7.8 -14.9 -4.3 -30.0 110 142 A R H 3X S+ 0 0 74 -4,-0.6 4,-3.2 -3,-0.4 5,-0.2 0.917 86.2 54.9 -72.3 -43.2 -13.4 -6.8 -27.5 111 143 A A H < S+ 0 0 17 -4,-2.8 3,-1.8 1,-0.2 4,-0.4 0.971 113.0 50.0 -63.0 -52.9 -23.2 -21.2 -14.4 126 158 A L H >< S+ 0 0 1 -4,-3.9 3,-1.5 1,-0.3 6,-0.4 0.888 107.9 55.3 -49.5 -43.9 -26.6 -20.4 -13.1 127 159 A G H 3< S+ 0 0 0 -4,-3.5 -1,-0.3 -5,-0.3 -2,-0.2 0.656 105.0 52.3 -70.5 -16.6 -28.0 -23.4 -14.9 128 160 A R T << S+ 0 0 87 -3,-1.8 -1,-0.3 -4,-0.6 -2,-0.2 0.311 81.0 114.1-104.1 5.0 -25.6 -25.8 -13.4 129 161 A T S <> S- 0 0 12 -3,-1.5 4,-2.5 -4,-0.4 5,-0.2 -0.515 74.8-126.4 -71.2 142.7 -26.3 -24.9 -9.8 130 162 A S H > S+ 0 0 74 1,-0.2 4,-3.3 2,-0.2 5,-0.4 0.949 109.7 65.2 -49.0 -52.6 -27.9 -27.6 -7.7 131 163 A I H > S+ 0 0 11 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.889 110.9 32.6 -30.9 -61.6 -30.6 -25.0 -6.9 132 164 A V H > S+ 0 0 0 -6,-0.4 4,-2.6 2,-0.2 3,-0.4 0.973 118.7 50.7 -76.8 -52.8 -31.7 -24.8 -10.5 133 165 A K H X S+ 0 0 85 -4,-2.5 4,-3.4 1,-0.2 5,-0.3 0.935 111.0 50.9 -42.0 -58.2 -31.1 -28.4 -11.5 134 166 A S H X S+ 0 0 46 -4,-3.3 4,-1.0 -5,-0.2 -1,-0.2 0.876 111.0 50.2 -46.3 -43.9 -33.0 -29.6 -8.4 135 167 A A H ><>S+ 0 0 0 -4,-1.5 5,-2.2 -3,-0.4 3,-0.9 0.975 115.2 39.5 -67.0 -57.9 -35.9 -27.3 -9.4 136 168 A W H ><5S+ 0 0 27 -4,-2.6 3,-3.3 1,-0.3 -2,-0.2 0.959 112.8 55.8 -51.7 -54.6 -36.2 -28.5 -13.0 137 169 A E H 3<5S+ 0 0 149 -4,-3.4 -1,-0.3 1,-0.3 -2,-0.2 0.691 105.3 54.1 -63.0 -16.1 -35.5 -32.1 -12.1 138 170 A R T <<5S- 0 0 106 -4,-1.0 -1,-0.3 -3,-0.9 -2,-0.2 0.084 123.8-104.2-100.2 21.2 -38.5 -31.9 -9.7 139 171 A G T < 5S+ 0 0 70 -3,-3.3 2,-0.2 1,-0.2 -3,-0.2 0.590 70.7 147.2 73.0 9.8 -40.8 -30.6 -12.4 140 172 A Q < - 0 0 31 -5,-2.2 2,-0.4 -6,-0.2 -1,-0.2 -0.583 52.5-114.1 -76.6 143.3 -40.9 -26.9 -11.4 141 173 A K + 0 0 128 -2,-0.2 2,-0.3 2,-0.0 -1,-0.1 -0.629 47.6 157.5 -76.3 124.8 -41.1 -24.4 -14.2 142 174 A L - 0 0 4 -2,-0.4 2,-0.3 22,-0.3 -82,-0.2 -0.860 18.8-170.5-153.0 124.1 -38.1 -22.2 -14.5 143 175 A S E -c 60 0A 20 -84,-2.2 -82,-2.0 -2,-0.3 2,-0.4 -0.864 7.3-157.6-112.7 144.7 -36.7 -20.2 -17.4 144 176 A L E -cD 61 163A 0 19,-1.7 19,-1.5 -2,-0.3 2,-0.4 -0.955 9.0-169.4-120.5 138.3 -33.3 -18.5 -17.6 145 177 A H E -cD 62 162A 33 -84,-3.2 -82,-3.3 -2,-0.4 2,-0.6 -0.991 12.9-162.0-135.4 139.3 -32.4 -15.5 -19.9 146 178 A G E +cD 63 161A 0 15,-1.6 15,-0.8 -2,-0.4 2,-0.3 -0.943 23.5 165.0-118.7 110.9 -29.2 -13.9 -20.9 147 179 A W E -c 64 0A 94 -84,-2.1 -82,-2.3 -2,-0.6 2,-0.5 -0.927 26.8-143.7-124.4 150.4 -29.6 -10.4 -22.4 148 180 A V E -c 65 0A 0 8,-0.4 8,-2.3 -2,-0.3 2,-0.4 -0.953 14.6-154.9-115.2 120.9 -27.2 -7.5 -23.0 149 181 A Y E -cE 66 155A 39 -84,-2.5 -82,-1.9 -2,-0.5 2,-0.4 -0.748 5.5-166.7 -92.6 134.8 -28.3 -3.9 -22.6 150 182 A D E > - E 0 154A 15 4,-1.9 4,-2.4 -2,-0.4 -82,-0.1 -0.973 19.7-143.0-118.6 135.0 -26.7 -1.0 -24.5 151 183 A V T 4 S+ 0 0 89 -2,-0.4 -1,-0.1 1,-0.2 4,-0.1 0.850 102.3 39.8 -62.0 -37.5 -27.3 2.6 -23.5 152 184 A N T 4 S+ 0 0 139 2,-0.1 -1,-0.2 1,-0.1 -3,-0.0 0.931 131.2 22.1 -75.3 -48.8 -27.3 3.8 -27.1 153 185 A D T 4 S- 0 0 125 1,-0.3 -2,-0.2 0, 0.0 2,-0.2 0.492 95.1-134.5-104.2 -5.2 -29.1 0.9 -28.8 154 186 A G E < -E 150 0A 22 -4,-2.4 -4,-1.9 2,-0.1 -1,-0.3 -0.522 69.4 -0.3 77.4-153.1 -31.2 -0.7 -26.1 155 187 A F E S-E 149 0A 82 -6,-0.2 2,-0.3 -2,-0.2 -6,-0.2 -0.536 80.6-120.3 -74.7 128.1 -31.1 -4.5 -25.8 156 188 A L - 0 0 47 -8,-2.3 2,-2.8 -2,-0.3 -8,-0.4 -0.515 13.5-129.2 -70.6 122.0 -29.0 -6.1 -28.5 157 189 A V + 0 0 157 -2,-0.3 2,-0.2 -10,-0.1 -1,-0.1 -0.495 65.8 146.2 -64.5 77.3 -31.0 -8.5 -30.7 158 190 A D - 0 0 32 -2,-2.8 2,-1.0 -10,-0.1 18,-0.0 -0.582 67.8 -68.4-109.2 167.0 -28.3 -10.9 -29.9 159 191 A Q - 0 0 44 -2,-0.2 2,-0.2 17,-0.1 -1,-0.1 -0.613 63.9-168.4 -41.7 95.8 -27.8 -14.6 -29.4 160 192 A G - 0 0 28 -2,-1.0 2,-0.3 -13,-0.1 -13,-0.2 -0.466 16.1-125.9 -79.4 172.8 -29.7 -14.3 -26.2 161 193 A V E -D 146 0A 5 -15,-0.8 -15,-1.6 -2,-0.2 2,-0.3 -0.895 28.8-178.8-123.0 151.2 -29.5 -17.5 -24.1 162 194 A M E +D 145 0A 83 -2,-0.3 2,-0.4 -17,-0.2 10,-0.2 -0.923 3.6 175.9-160.6 124.4 -32.5 -19.2 -23.0 163 195 A A E +D 144 0A 0 -19,-1.5 -19,-1.7 -2,-0.3 3,-0.1 -0.976 20.9 160.6-146.5 121.8 -32.8 -22.3 -20.9 164 196 A T S S+ 0 0 65 -2,-0.4 -22,-0.3 -21,-0.2 2,-0.3 0.320 77.1 17.9-116.1 0.2 -35.8 -24.1 -19.5 165 197 A S S > S- 0 0 33 1,-0.1 4,-3.2 -28,-0.0 5,-0.2 -0.982 82.3 -98.2-161.0 171.2 -34.0 -27.4 -18.9 166 198 A R H > S+ 0 0 90 -2,-0.3 4,-1.5 1,-0.2 -1,-0.1 0.928 124.1 47.2 -60.9 -43.3 -30.7 -29.1 -18.5 167 199 A E H > S+ 0 0 156 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.909 113.6 46.2 -67.7 -43.2 -30.9 -30.2 -22.1 168 200 A T H > S+ 0 0 43 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.888 103.9 63.2 -70.1 -38.4 -31.9 -26.8 -23.4 169 201 A L H X S+ 0 0 0 -4,-3.2 4,-2.6 1,-0.2 5,-0.2 0.928 105.7 47.7 -46.5 -49.9 -29.2 -25.0 -21.3 170 202 A E H X S+ 0 0 45 -4,-1.5 4,-2.9 2,-0.2 5,-0.3 0.968 112.5 44.4 -56.6 -58.2 -26.6 -26.9 -23.3 171 203 A I H X S+ 0 0 85 -4,-1.6 4,-3.4 1,-0.2 5,-0.2 0.947 116.6 47.9 -54.5 -52.3 -28.0 -26.3 -26.8 172 204 A S H X S+ 0 0 19 -4,-2.8 4,-3.3 1,-0.2 -1,-0.2 0.946 111.8 48.0 -55.5 -55.6 -28.5 -22.6 -26.0 173 205 A Y H X S+ 0 0 20 -4,-2.6 4,-2.5 -5,-0.3 -1,-0.2 0.891 115.8 44.9 -51.4 -47.1 -25.1 -22.1 -24.5 174 206 A R H X S+ 0 0 147 -4,-2.9 4,-3.6 -5,-0.2 -1,-0.2 0.934 113.4 49.5 -65.5 -46.9 -23.4 -23.8 -27.4 175 207 A N H X S+ 0 0 97 -4,-3.4 4,-3.5 -5,-0.3 -2,-0.2 0.934 109.6 53.4 -57.3 -49.8 -25.5 -22.0 -29.9 176 208 A A H X S+ 0 0 1 -4,-3.3 4,-2.2 -5,-0.2 -2,-0.2 0.947 114.7 38.7 -46.5 -59.7 -24.7 -18.7 -28.2 177 209 A I H X S+ 0 0 23 -4,-2.5 4,-1.4 1,-0.2 -2,-0.2 0.956 115.3 54.0 -66.2 -44.2 -21.0 -19.2 -28.3 178 210 A A H >< S+ 0 0 57 -4,-3.6 3,-0.7 1,-0.2 4,-0.4 0.922 110.8 47.1 -47.7 -49.2 -21.2 -20.7 -31.8 179 211 A R H >< S+ 0 0 143 -4,-3.5 3,-0.9 1,-0.2 -1,-0.2 0.832 108.6 53.3 -66.4 -38.5 -23.1 -17.7 -33.0 180 212 A L H 3< S+ 0 0 7 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.710 98.7 66.8 -67.0 -23.5 -20.6 -15.2 -31.4 181 213 A S T << S+ 0 0 46 -4,-1.4 2,-0.2 -3,-0.7 -1,-0.2 0.648 76.3 99.5 -79.0 -16.8 -17.7 -16.8 -33.1 182 214 A I < 0 0 122 -3,-0.9 -3,-0.0 -4,-0.4 -81,-0.0 -0.548 360.0 360.0 -77.2 138.3 -18.8 -15.8 -36.6 183 215 A L 0 0 146 -2,-0.2 -1,-0.1 -78,-0.0 -2,-0.0 0.187 360.0 360.0-149.0 360.0 -17.0 -12.8 -38.1 184 !* 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 0.0 185 34 B T 0 0 135 0, 0.0 25,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 152.6 -21.1 9.6 -11.9 186 35 B P - 0 0 4 0, 0.0 24,-0.2 0, 0.0 25,-0.1 -0.075 360.0-171.9 -76.4 152.1 -22.8 8.4 -8.7 187 36 B H + 0 0 73 23,-0.7 55,-2.2 54,-0.1 56,-1.5 0.572 68.8 60.7-108.2 -19.1 -22.2 9.8 -5.1 188 37 B Y E -fg 211 243B 59 22,-1.3 24,-1.4 53,-0.2 2,-0.5 -0.866 58.0-157.3-113.1 145.1 -24.2 7.1 -3.2 189 38 B L E -fg 212 244B 0 54,-2.5 56,-3.2 -2,-0.3 2,-0.5 -0.994 16.6-158.0-112.4 129.6 -24.0 3.4 -2.7 190 39 B W E -fg 213 245B 2 22,-2.2 24,-2.1 -2,-0.5 2,-0.6 -0.898 7.4-167.7-107.2 130.3 -27.2 1.8 -1.6 191 40 B I E +fg 214 246B 0 54,-2.8 56,-2.3 -2,-0.5 24,-0.2 -0.871 24.9 162.2-121.2 97.7 -27.1 -1.6 0.1 192 41 B G E -fg 215 247B 1 22,-2.0 24,-1.9 -2,-0.6 27,-0.2 -0.623 40.5 -96.3-111.4 168.9 -30.6 -3.0 0.2 193 42 B C > - 0 0 1 54,-0.6 3,-0.5 22,-0.3 5,-0.3 -0.577 29.8-123.7 -78.8 146.5 -32.3 -6.4 0.7 194 43 B S T 3 S+ 0 0 0 1,-0.2 -164,-0.6 -2,-0.2 23,-0.1 0.582 82.9 108.6 -62.8 -10.8 -33.4 -8.4 -2.3 195 44 B D T 3 S- 0 0 20 21,-0.2 2,-0.3 1,-0.2 -1,-0.2 0.336 77.8-133.8 -61.8 3.4 -37.0 -8.4 -1.0 196 45 B S S < S+ 0 0 16 -3,-0.5 -1,-0.2 2,-0.2 -170,-0.1 0.179 83.9 93.1 79.5 -20.4 -38.4 -6.0 -3.7 197 46 B R S S+ 0 0 123 -2,-0.3 -1,-0.2 1,-0.2 -3,-0.1 0.620 72.4 70.3 -88.5 -16.0 -40.4 -3.8 -1.4 198 47 B A + 0 0 3 -5,-0.3 2,-1.3 49,-0.1 3,-0.2 -0.790 55.8 170.7-102.5 82.3 -37.6 -1.3 -0.9 199 48 B P >> + 0 0 51 0, 0.0 4,-2.0 0, 0.0 3,-1.3 -0.733 1.9 171.9 -85.0 79.6 -37.3 0.5 -4.3 200 49 B A H 3> + 0 0 0 -2,-1.3 4,-1.9 1,-0.2 5,-0.3 0.898 62.6 88.4 -46.2 -49.8 -34.8 3.1 -3.0 201 50 B E H 34 S+ 0 0 29 -3,-0.2 5,-0.3 1,-0.2 -1,-0.2 0.710 113.4 5.4 -18.4 -53.6 -34.5 4.1 -6.7 202 51 B K H <4 S+ 0 0 185 -3,-1.3 3,-0.5 2,-0.1 -1,-0.2 0.786 116.3 79.7-104.8 -44.7 -37.5 6.5 -6.2 203 52 B L H < S+ 0 0 50 -4,-2.0 -3,-0.2 1,-0.2 -2,-0.2 0.779 93.2 54.4 -17.4 -59.7 -38.2 6.2 -2.4 204 53 B T S < S- 0 0 34 -4,-1.9 -1,-0.2 -5,-0.1 -2,-0.1 0.906 94.3-129.8 -52.2 -63.5 -35.3 8.7 -1.7 205 54 B N S S+ 0 0 149 -3,-0.5 -2,-0.1 -5,-0.3 -3,-0.1 0.671 81.6 94.3 92.4 44.5 -35.9 11.8 -3.8 206 55 B L S S- 0 0 70 -5,-0.3 -5,-0.1 -4,-0.2 -4,-0.1 0.495 76.0-101.6-123.4 -87.8 -32.4 11.7 -5.2 207 56 B E - 0 0 115 -6,-0.1 2,-0.3 3,-0.1 -3,-0.1 -0.950 14.3-100.6 174.7 167.2 -31.7 10.0 -8.6 208 57 B P S S+ 0 0 81 0, 0.0 4,-0.1 0, 0.0 -195,-0.0 -0.849 108.1 38.6-100.9 155.7 -30.5 7.0 -10.6 209 58 B G S S+ 0 0 34 2,-0.7 3,-0.0 -2,-0.3 -195,-0.0 0.123 112.9 63.5 82.3 -24.5 -27.0 7.3 -12.2 210 59 B E S S+ 0 0 52 -24,-0.2 -22,-1.3 -25,-0.1 -23,-0.7 0.103 98.0 76.1 -96.3 12.5 -26.3 9.0 -8.9 211 60 B L E -f 188 0B 11 -25,-0.1 -2,-0.7 -24,-0.1 2,-0.6 -0.987 56.2-173.0-135.7 125.3 -27.2 5.5 -7.3 212 61 B F E -f 189 0B 1 -24,-1.4 -22,-2.2 -2,-0.4 2,-0.3 -0.950 25.0-159.5-120.8 102.8 -25.0 2.4 -7.3 213 62 B V E +f 190 0B 2 -2,-0.6 2,-0.4 -202,-0.2 -22,-0.2 -0.705 23.4 176.1-104.5 140.0 -27.1 -0.5 -5.9 214 63 B H E -f 191 0B 0 -24,-2.1 -22,-2.0 -2,-0.3 2,-0.4 -0.988 13.3-173.3-133.0 128.0 -26.3 -3.9 -4.3 215 64 B R E +f 192 0B 6 -2,-0.4 -183,-0.4 -183,-0.3 2,-0.3 -0.985 11.5 156.3-128.2 134.3 -29.1 -6.0 -3.0 216 65 B N > - 0 0 0 -24,-1.9 3,-3.0 -2,-0.4 -22,-0.2 -0.991 50.8 -67.2-155.9 158.6 -29.0 -9.3 -1.0 217 66 B V T 3 S- 0 0 1 -173,-0.4 3,-0.5 -2,-0.3 -24,-0.1 -0.218 120.2 -2.6 -59.9 121.9 -31.0 -11.4 1.4 218 67 B A T 3 S- 0 0 0 1,-0.2 -1,-0.3 56,-0.0 -25,-0.1 0.440 110.0 -96.9 77.4 6.7 -31.4 -9.6 4.7 219 68 B N < + 0 0 2 -3,-3.0 2,-0.3 -27,-0.2 -1,-0.2 0.921 69.8 170.7 50.5 56.3 -29.2 -6.7 3.4 220 69 B Q - 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0 0 1 -3,-0.2 4,-2.7 1,-0.1 5,-0.3 -0.847 31.8-138.0-107.7 133.7 -38.6 -8.7 5.8 253 102 B G H > S+ 0 0 16 -2,-0.4 4,-2.8 1,-0.2 5,-0.2 0.937 104.6 49.7 -54.5 -55.0 -38.5 -12.1 4.2 254 103 B G H > S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.858 111.2 48.1 -50.2 -45.0 -34.9 -12.7 5.3 255 104 B I H > S+ 0 0 2 1,-0.2 4,-1.5 2,-0.2 5,-0.2 0.972 113.3 46.9 -68.4 -51.1 -35.5 -11.6 8.9 256 105 B H H X S+ 0 0 87 -4,-2.7 4,-1.7 1,-0.2 3,-0.3 0.900 112.0 51.1 -54.5 -43.1 -38.5 -13.8 9.2 257 106 B A H < S+ 0 0 17 -4,-2.8 5,-0.3 -5,-0.3 -1,-0.2 0.922 103.1 59.3 -66.2 -43.3 -36.7 -16.7 7.6 258 107 B A H < S+ 0 0 4 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.876 112.3 39.5 -45.2 -44.5 -33.8 -16.3 10.0 259 108 B M H < S+ 0 0 42 -4,-1.5 -1,-0.2 -3,-0.3 -2,-0.2 0.669 96.4 97.0 -90.3 -19.6 -36.1 -16.9 13.0 260 109 B A S < S- 0 0 46 -4,-1.7 -3,-0.0 -5,-0.2 0, 0.0 -0.280 74.8-137.5 -57.1 163.8 -38.1 -19.5 11.3 261 110 B D + 0 0 139 2,-0.1 2,-0.4 -2,-0.0 -1,-0.1 0.007 64.3 104.7-119.9 24.0 -36.9 -22.9 12.2 262 111 B K - 0 0 158 -5,-0.3 2,-0.1 2,-0.0 -2,-0.1 -0.925 69.2-115.4-129.6 127.5 -36.9 -24.7 8.9 263 112 B D + 0 0 127 -2,-0.4 3,-0.1 1,-0.1 -2,-0.1 -0.342 30.0 171.3 -67.1 133.2 -34.1 -25.6 6.5 264 113 B L > - 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