==== 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 02-MAR-01 1I6P . COMPND 2 MOLECULE: CARBONIC ANHYDRASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR J.D.CRONK,J.A.ENDRIZZI,M.R.CRONK,J.W.O'NEILL,K.Y.J.ZHANG . 214 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12347.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 161 75.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 20 9.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 2.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 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 . 15 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 25 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 89 41.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.4 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 2 1 0 0 2 0 0 0 1 0 1 0 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 1 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 PARALLEL BRIDGES PER LADDER . 1 0 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 . 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 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 K 0 0 227 0, 0.0 2,-0.2 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 141.7 9.9 35.6 49.3 2 3 A D > - 0 0 76 1,-0.0 4,-1.1 0, 0.0 3,-0.3 -0.636 360.0 -93.2-117.4 177.2 8.1 37.0 52.4 3 4 A I H >> S+ 0 0 121 1,-0.2 4,-2.0 -2,-0.2 3,-0.7 0.913 121.2 54.7 -58.6 -48.3 8.8 39.8 54.8 4 5 A D H 3> S+ 0 0 118 1,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.855 105.1 55.9 -56.5 -34.4 10.7 37.7 57.4 5 6 A T H 3> S+ 0 0 49 -3,-0.3 4,-2.3 2,-0.2 -1,-0.3 0.837 106.1 49.9 -67.6 -33.4 13.0 36.6 54.6 6 7 A L H X S+ 0 0 131 -4,-1.6 3,-1.2 1,-0.2 4,-0.6 0.922 108.4 55.0 -64.4 -46.5 27.3 40.8 58.9 16 17 A M H 3< S+ 0 0 106 -4,-2.4 3,-0.5 1,-0.2 5,-0.2 0.785 96.8 66.7 -58.5 -30.8 28.9 39.2 55.8 17 18 A L H >X S+ 0 0 9 -4,-1.5 4,-2.8 1,-0.2 3,-1.3 0.802 89.6 65.2 -62.0 -31.5 30.1 42.6 54.6 18 19 A V H << S+ 0 0 94 -3,-1.2 -1,-0.2 -4,-0.6 -2,-0.2 0.907 113.6 30.5 -58.2 -44.1 32.5 42.9 57.5 19 20 A E T 3< S+ 0 0 180 -4,-0.6 -1,-0.3 -3,-0.5 -2,-0.2 -0.153 129.7 38.0-109.8 37.6 34.5 40.0 56.3 20 21 A E T <4 S- 0 0 144 -3,-1.3 -3,-0.2 0, 0.0 -2,-0.2 0.367 137.7 -0.3-151.4 -31.3 33.9 40.4 52.6 21 22 A D >< + 0 0 67 -4,-2.8 3,-2.0 -5,-0.2 4,-0.2 -0.300 64.1 171.9-168.1 67.3 33.9 44.2 51.9 22 23 A P T 3 S+ 0 0 100 0, 0.0 3,-0.5 0, 0.0 -4,-0.1 0.744 79.7 56.2 -54.3 -30.2 34.5 46.1 55.2 23 24 A G T >> S+ 0 0 31 1,-0.2 3,-1.4 2,-0.1 4,-0.7 0.283 70.8 114.4 -90.0 12.5 34.8 49.4 53.5 24 25 A F T <4 S+ 0 0 59 -3,-2.0 4,-0.4 1,-0.3 3,-0.3 0.856 84.9 36.0 -48.7 -43.7 31.4 49.1 51.8 25 26 A F T 3> S+ 0 0 87 -3,-0.5 4,-3.8 1,-0.2 -1,-0.3 0.467 90.1 96.6 -92.6 -1.6 30.0 52.1 53.7 26 27 A E H <> S+ 0 0 116 -3,-1.4 4,-1.6 1,-0.2 -1,-0.2 0.920 88.1 45.4 -52.0 -48.5 33.3 54.1 53.7 27 28 A K H < S+ 0 0 131 -4,-0.7 3,-0.3 -3,-0.3 5,-0.2 0.956 115.7 46.4 -59.8 -51.5 32.1 56.1 50.7 28 29 A L H 4 S+ 0 0 72 -4,-0.4 4,-0.3 1,-0.2 -2,-0.2 0.932 106.2 58.0 -56.5 -51.1 28.6 56.6 52.2 29 30 A A H < S+ 0 0 83 -4,-3.8 2,-0.7 2,-0.1 -1,-0.2 0.862 96.0 74.8 -48.3 -40.3 30.0 57.6 55.6 30 31 A Q S < S- 0 0 114 -4,-1.6 2,-1.3 -3,-0.3 -1,-0.0 -0.685 101.1-114.9 -80.6 115.9 31.9 60.4 53.8 31 32 A A + 0 0 108 -2,-0.7 2,-0.6 1,-0.1 -2,-0.1 -0.270 51.3 166.4 -52.8 87.5 29.4 63.1 52.9 32 33 A Q - 0 0 92 -2,-1.3 -1,-0.1 -4,-0.3 -2,-0.0 -0.923 29.2-139.9-114.0 109.6 29.7 62.7 49.1 33 34 A K - 0 0 125 -2,-0.6 27,-0.0 1,-0.1 54,-0.0 -0.374 27.9-106.4 -66.4 140.8 27.0 64.5 47.1 34 35 A P - 0 0 21 0, 0.0 25,-0.2 0, 0.0 24,-0.2 -0.332 18.4-156.0 -67.0 150.7 25.7 62.6 44.1 35 36 A R S S+ 0 0 111 23,-1.3 55,-2.0 54,-0.2 56,-1.8 0.578 75.0 57.3-100.4 -15.8 26.8 63.8 40.6 36 37 A F E -ab 59 91A 46 22,-1.4 24,-2.9 53,-0.2 2,-0.5 -0.938 60.8-157.5-123.9 141.7 23.8 62.2 38.8 37 38 A L E -ab 60 92A 0 54,-2.5 56,-3.2 -2,-0.4 2,-0.5 -0.970 16.9-161.2-112.1 125.1 20.1 62.6 39.2 38 39 A W E -ab 61 93A 5 22,-3.1 24,-2.6 -2,-0.5 2,-0.6 -0.945 8.8-172.3-112.9 122.7 18.2 59.6 37.8 39 40 A I E +ab 62 94A 0 54,-3.2 56,-2.4 -2,-0.5 2,-0.2 -0.956 27.9 148.9-113.1 111.1 14.5 60.0 36.9 40 41 A G E -a 63 0A 0 22,-2.4 24,-1.6 -2,-0.6 27,-0.3 -0.678 45.7 -74.1-132.5-173.3 13.0 56.6 36.0 41 42 A C E > -a 64 0A 4 54,-0.5 3,-1.5 22,-0.2 24,-0.2 -0.604 31.1-126.7 -89.6 147.5 9.9 54.5 36.1 42 43 A S T 3 S+ 0 0 66 22,-1.7 23,-0.1 1,-0.3 -1,-0.1 0.745 105.6 75.9 -60.6 -22.6 8.5 52.9 39.2 43 44 A D T 3 S- 0 0 65 21,-0.3 -1,-0.3 1,-0.1 22,-0.1 0.874 73.5-175.3 -56.1 -37.5 8.5 49.6 37.3 44 45 A S < + 0 0 42 -3,-1.5 -2,-0.1 1,-0.1 -1,-0.1 0.868 7.9 173.8 39.8 53.3 12.3 49.6 37.9 45 46 A R S S+ 0 0 158 1,-0.3 -1,-0.1 2,-0.0 -3,-0.0 0.909 74.2 17.1 -54.4 -47.9 12.7 46.4 35.7 46 47 A V S S- 0 0 37 139,-0.0 -1,-0.3 4,-0.0 -2,-0.1 -0.992 97.7-112.4-128.2 120.8 16.5 46.6 36.0 47 48 A P > - 0 0 56 0, 0.0 4,-2.3 0, 0.0 3,-0.3 -0.172 17.8-128.4 -51.8 141.6 18.0 48.8 38.8 48 49 A A H > S+ 0 0 0 1,-0.2 4,-2.2 2,-0.2 6,-0.4 0.860 109.6 57.7 -60.0 -36.8 19.8 51.9 37.5 49 50 A E H > S+ 0 0 76 1,-0.2 4,-2.0 2,-0.2 5,-0.4 0.871 109.6 43.5 -62.3 -38.3 22.8 50.9 39.7 50 51 A R H 4 S+ 0 0 206 -3,-0.3 -2,-0.2 2,-0.2 -1,-0.2 0.874 111.9 53.7 -75.0 -39.0 23.0 47.6 37.9 51 52 A L H < S+ 0 0 32 -4,-2.3 -2,-0.2 1,-0.2 136,-0.2 0.875 125.1 22.9 -62.1 -40.5 22.5 49.1 34.4 52 53 A T H < S- 0 0 51 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.657 97.4-123.1-103.7 -21.3 25.3 51.6 34.8 53 54 A G < + 0 0 57 -4,-2.0 -3,-0.2 -5,-0.3 -4,-0.1 0.636 54.2 157.5 85.5 12.9 27.6 50.1 37.5 54 55 A L - 0 0 34 -6,-0.4 -1,-0.3 -5,-0.4 -2,-0.1 -0.422 38.4-124.4 -71.6 148.3 27.3 53.2 39.7 55 56 A E > - 0 0 122 1,-0.1 3,-2.0 -2,-0.1 4,-0.3 -0.534 38.4 -80.6 -90.3 158.8 28.0 52.7 43.4 56 57 A P T 3 S+ 0 0 54 0, 0.0 -1,-0.1 0, 0.0 -28,-0.0 -0.311 118.0 29.4 -59.7 139.4 25.6 53.6 46.2 57 58 A G T 3 S+ 0 0 38 2,-0.3 3,-0.0 -3,-0.1 -3,-0.0 0.237 94.6 94.6 96.1 -13.7 25.6 57.3 47.0 58 59 A E S < S+ 0 0 83 -3,-2.0 -22,-1.4 -24,-0.2 -23,-1.3 0.642 83.2 49.1 -85.4 -14.9 26.6 58.4 43.4 59 60 A L E -a 36 0A 17 -4,-0.3 2,-0.4 -25,-0.2 -2,-0.3 -0.969 63.0-149.0-133.0 145.1 23.1 59.0 42.3 60 61 A F E -a 37 0A 58 -24,-2.9 -22,-3.1 -2,-0.4 2,-0.4 -0.854 32.8-153.1-101.1 140.1 20.0 60.8 43.5 61 62 A V E +a 38 0A 61 -2,-0.4 2,-0.4 -24,-0.2 -22,-0.2 -0.957 26.8 174.5-132.9 139.1 16.8 59.1 42.4 62 63 A H E -a 39 0A 18 -24,-2.6 -22,-2.4 -2,-0.4 2,-0.4 -0.998 12.0-178.0-131.6 135.3 13.1 59.8 41.6 63 64 A R E +a 40 0A 67 -2,-0.4 2,-0.3 -24,-0.2 -22,-0.2 -0.999 10.7 154.1-137.0 133.8 10.7 57.3 40.2 64 65 A N E > -a 41 0A 14 -24,-1.6 -22,-1.7 -2,-0.4 3,-1.7 -0.873 57.1 -59.0-144.3 175.1 7.1 57.6 39.2 65 66 A V T 3 S- 0 0 51 -2,-0.3 3,-0.4 1,-0.3 -24,-0.1 -0.491 121.8 -6.8 -68.4 116.8 4.7 55.9 36.8 66 67 A A T 3 S- 0 0 0 -2,-0.5 -1,-0.3 1,-0.2 -25,-0.2 0.691 109.9 -90.4 72.8 23.7 6.2 56.1 33.3 67 68 A N < + 0 0 2 -3,-1.7 2,-0.2 -27,-0.3 -1,-0.2 0.881 68.4 178.2 40.4 59.6 9.0 58.4 34.3 68 69 A L - 0 0 0 -3,-0.4 2,-0.4 -28,-0.1 -1,-0.1 -0.613 32.1-160.4 -94.3 150.7 7.1 61.7 33.7 69 70 A V - 0 0 2 -2,-0.2 2,-0.3 -30,-0.0 87,-0.0 -0.792 21.5-168.2-125.6 81.0 8.1 65.3 34.3 70 71 A I > - 0 0 15 -2,-0.4 3,-2.0 1,-0.1 7,-0.1 -0.562 28.3-123.5 -74.1 135.1 4.8 67.0 34.4 71 72 A H T 3 S+ 0 0 128 1,-0.3 -1,-0.1 -2,-0.3 0, 0.0 0.819 109.5 34.0 -46.5 -37.9 5.1 70.9 34.2 72 73 A T T 3 S+ 0 0 125 4,-0.0 2,-1.0 5,-0.0 -1,-0.3 0.044 80.9 120.4-113.2 25.9 3.2 71.2 37.5 73 74 A D <> - 0 0 29 -3,-2.0 4,-2.6 1,-0.2 5,-0.2 -0.792 38.5-171.9 -93.6 102.3 4.2 68.1 39.5 74 75 A L H > S+ 0 0 124 -2,-1.0 4,-2.1 2,-0.2 5,-0.2 0.742 80.2 63.5 -65.1 -25.0 5.8 69.6 42.6 75 76 A N H > S+ 0 0 99 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.992 113.0 33.7 -62.2 -57.9 6.9 66.1 43.8 76 77 A C H > S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.896 118.1 53.5 -64.0 -42.8 9.2 65.7 40.8 77 78 A L H X S+ 0 0 33 -4,-2.6 4,-2.8 1,-0.2 -1,-0.2 0.852 106.4 53.8 -62.2 -34.5 10.1 69.5 40.6 78 79 A S H X S+ 0 0 59 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.888 108.3 49.4 -67.5 -38.8 11.1 69.4 44.3 79 80 A V H X S+ 0 0 26 -4,-1.6 4,-2.5 2,-0.2 -2,-0.2 0.932 114.2 46.0 -64.1 -45.4 13.5 66.5 43.6 80 81 A V H X S+ 0 0 0 -4,-2.3 4,-3.2 2,-0.2 5,-0.3 0.930 112.2 48.6 -63.8 -47.8 15.0 68.4 40.6 81 82 A Q H X>S+ 0 0 80 -4,-2.8 4,-2.6 2,-0.2 5,-0.7 0.928 113.9 47.3 -60.4 -44.7 15.4 71.8 42.4 82 83 A Y H X>S+ 0 0 109 -4,-2.1 5,-2.3 -5,-0.2 4,-1.5 0.943 115.3 46.1 -61.1 -47.8 17.0 70.1 45.3 83 84 A A H <5S+ 0 0 0 -4,-2.5 6,-2.4 3,-0.2 5,-0.5 0.914 121.1 36.8 -62.0 -45.5 19.4 68.1 43.1 84 85 A V H <5S+ 0 0 0 -4,-3.2 -2,-0.2 4,-0.2 -3,-0.2 0.956 127.6 30.0 -74.5 -53.7 20.3 71.1 40.8 85 86 A D H <5S+ 0 0 56 -4,-2.6 -3,-0.2 -5,-0.3 -2,-0.2 0.841 133.3 25.2 -78.9 -36.0 20.5 74.0 43.3 86 87 A V T < - c 0 180A 6 82,-0.2 3,-1.3 -2,-0.2 84,-0.2 -0.994 19.1-106.6-150.2 141.6 12.1 51.4 29.1 98 99 A Y T 3 S+ 0 0 28 82,-1.9 84,-0.3 -2,-0.3 3,-0.1 -0.397 105.4 27.3 -65.3 138.7 10.5 49.4 26.4 99 100 A G T 3 S+ 0 0 52 1,-0.2 -1,-0.2 -2,-0.1 44,-0.1 0.598 81.5 173.7 84.9 11.2 7.4 47.5 27.4 100 101 A C <> - 0 0 3 -3,-1.3 4,-2.2 1,-0.2 -1,-0.2 -0.303 31.5-141.6 -54.2 127.2 6.6 50.0 30.2 101 102 A G H > S+ 0 0 41 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.852 99.7 53.8 -61.0 -34.7 3.2 49.1 31.7 102 103 A G H > S+ 0 0 7 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.929 108.4 47.2 -66.5 -46.8 2.3 52.8 32.0 103 104 A V H > S+ 0 0 4 2,-0.2 4,-1.1 1,-0.2 -2,-0.2 0.927 114.6 47.4 -60.4 -46.1 3.0 53.6 28.4 104 105 A Q H >X S+ 0 0 79 -4,-2.2 4,-2.8 1,-0.2 3,-0.8 0.928 109.8 52.0 -62.6 -46.3 1.0 50.6 27.2 105 106 A A H 3X S+ 0 0 16 -4,-2.5 4,-2.0 1,-0.3 -1,-0.2 0.846 104.6 58.1 -59.8 -33.2 -1.9 51.3 29.5 106 107 A A H 3< S+ 0 0 1 -4,-1.8 -1,-0.3 2,-0.2 -2,-0.2 0.820 112.5 40.2 -67.1 -30.1 -2.0 54.9 28.1 107 108 A V H << S+ 0 0 43 -4,-1.1 -2,-0.2 -3,-0.8 -1,-0.2 0.914 118.9 42.5 -83.9 -48.2 -2.6 53.5 24.6 108 109 A E H < S- 0 0 120 -4,-2.8 -2,-0.2 -5,-0.1 -3,-0.2 0.760 93.3-152.9 -69.8 -25.5 -5.0 50.7 25.4 109 110 A N < + 0 0 80 -4,-2.0 -3,-0.1 -5,-0.3 -4,-0.1 0.873 21.8 177.5 56.4 45.6 -6.8 53.0 27.8 110 111 A P - 0 0 51 0, 0.0 2,-1.2 0, 0.0 3,-0.2 -0.357 42.0 -99.7 -74.2 163.4 -8.3 50.4 30.2 111 112 A E + 0 0 196 1,-0.2 -2,-0.0 -2,-0.0 0, 0.0 -0.721 59.8 151.4 -85.7 98.6 -10.3 51.5 33.2 112 113 A L - 0 0 98 -2,-1.2 2,-0.3 1,-0.3 3,-0.3 0.537 47.9-122.5-105.0 -11.9 -7.7 51.3 36.0 113 114 A G S > S+ 0 0 45 1,-0.2 3,-2.2 -3,-0.2 -1,-0.3 -0.801 74.0 0.9 108.2-149.2 -8.9 54.0 38.3 114 115 A L T >> S+ 0 0 151 -2,-0.3 3,-1.8 1,-0.3 4,-0.7 0.790 120.6 67.8 -47.4 -39.7 -7.1 57.1 39.6 115 116 A I H 3> S+ 0 0 56 -3,-0.3 4,-2.3 1,-0.3 3,-0.4 0.762 83.1 75.2 -56.8 -26.6 -3.9 56.3 37.6 116 117 A N H <> S+ 0 0 32 -3,-2.2 4,-0.8 1,-0.2 -1,-0.3 0.812 91.0 56.0 -57.5 -29.9 -5.8 57.0 34.4 117 118 A N H X4 S+ 0 0 101 -3,-1.8 3,-0.5 -4,-0.3 4,-0.3 0.903 107.6 47.3 -68.7 -41.2 -5.6 60.7 35.2 118 119 A W H >< S+ 0 0 65 -4,-0.7 3,-1.3 -3,-0.4 4,-0.3 0.914 109.7 55.2 -64.3 -42.9 -1.8 60.5 35.4 119 120 A L H >X S+ 0 0 4 -4,-2.3 4,-1.5 1,-0.3 3,-1.2 0.635 85.6 79.9 -67.8 -16.5 -1.6 58.6 32.2 120 121 A L H S+ 0 0 79 -3,-1.3 4,-0.9 -4,-0.3 -1,-0.3 0.835 102.5 47.5 -65.9 -30.4 -0.3 63.1 29.9 122 123 A I H <> S+ 0 0 0 -3,-1.2 4,-2.1 -4,-0.3 3,-0.3 0.874 106.9 55.0 -77.3 -38.2 1.1 60.2 27.8 123 124 A R H X S+ 0 0 44 -4,-1.5 4,-2.3 1,-0.2 5,-0.2 0.866 102.5 58.3 -62.8 -33.8 -2.0 60.1 25.6 124 125 A D H X S+ 0 0 97 -4,-1.9 4,-2.2 1,-0.2 -1,-0.2 0.894 107.2 47.6 -60.3 -38.1 -1.4 63.8 24.9 125 126 A I H X S+ 0 0 13 -4,-0.9 4,-1.9 -3,-0.3 -2,-0.2 0.889 108.6 53.9 -68.7 -40.5 2.0 62.8 23.6 126 127 A W H < S+ 0 0 82 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.889 111.4 45.3 -61.7 -40.9 0.5 60.0 21.5 127 128 A F H >< S+ 0 0 105 -4,-2.3 3,-1.8 1,-0.2 4,-0.3 0.927 108.5 58.2 -67.8 -44.7 -1.9 62.5 19.9 128 129 A K H 3< S+ 0 0 113 -4,-2.2 3,-0.3 1,-0.3 -2,-0.2 0.859 114.5 35.3 -53.1 -42.3 0.9 65.0 19.3 129 130 A H T 3X S+ 0 0 17 -4,-1.9 4,-2.5 1,-0.2 -1,-0.3 0.001 79.5 124.8-105.9 30.0 3.0 62.6 17.3 130 131 A S H <> S+ 0 0 62 -3,-1.8 4,-2.2 1,-0.2 -1,-0.2 0.921 75.0 46.6 -52.8 -53.0 0.1 60.8 15.5 131 132 A S H 4 S+ 0 0 99 -4,-0.3 4,-0.5 -3,-0.3 -1,-0.2 0.922 112.1 50.8 -57.9 -47.4 1.4 61.5 12.0 132 133 A L H >4 S+ 0 0 6 1,-0.2 3,-1.1 2,-0.2 -1,-0.2 0.921 111.8 47.4 -57.5 -46.5 4.9 60.4 12.8 133 134 A L H >< S+ 0 0 8 -4,-2.5 3,-1.6 1,-0.3 -1,-0.2 0.868 106.3 56.6 -65.5 -37.4 3.7 57.1 14.4 134 135 A G T 3< S+ 0 0 50 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.552 97.5 66.6 -72.4 -3.8 1.4 56.3 11.5 135 136 A E T < S+ 0 0 118 -3,-1.1 -1,-0.3 -4,-0.5 -2,-0.2 0.335 97.0 66.0 -96.9 5.1 4.5 56.5 9.3 136 137 A M S < S- 0 0 17 -3,-1.6 5,-0.1 1,-0.1 78,-0.0 -0.884 97.7 -78.9-127.6 158.7 6.1 53.5 10.8 137 138 A P > - 0 0 78 0, 0.0 3,-1.6 0, 0.0 4,-0.4 -0.237 41.8-122.8 -55.2 140.3 5.4 49.7 11.0 138 139 A Q G >> S+ 0 0 139 1,-0.3 3,-1.5 2,-0.2 4,-0.5 0.857 107.4 60.9 -52.2 -45.5 2.7 48.8 13.6 139 140 A E G 34 S+ 0 0 173 1,-0.3 4,-0.3 2,-0.1 -1,-0.3 0.681 107.7 46.9 -60.7 -17.1 4.9 46.5 15.6 140 141 A R G <> S+ 0 0 130 -3,-1.6 4,-1.9 1,-0.1 -1,-0.3 0.474 86.9 88.2-104.0 -3.1 7.3 49.4 16.3 141 142 A R H <> S+ 0 0 95 -3,-1.5 4,-2.2 -4,-0.4 5,-0.2 0.887 87.0 48.6 -64.8 -42.0 4.8 52.0 17.4 142 143 A L H X S+ 0 0 57 -4,-0.5 4,-1.9 2,-0.2 -1,-0.2 0.913 113.4 47.4 -66.4 -41.5 4.6 51.2 21.1 143 144 A D H > S+ 0 0 69 -4,-0.3 4,-1.4 1,-0.2 -1,-0.2 0.878 111.8 51.7 -65.8 -36.3 8.4 51.1 21.4 144 145 A T H X S+ 0 0 0 -4,-1.9 4,-2.9 2,-0.2 -2,-0.2 0.884 106.6 52.7 -67.3 -38.4 8.6 54.4 19.5 145 146 A L H X S+ 0 0 2 -4,-2.2 4,-2.9 1,-0.2 -1,-0.2 0.901 104.6 57.2 -63.1 -39.0 6.0 56.0 21.8 146 147 A C H X S+ 0 0 3 -4,-1.9 4,-1.4 1,-0.2 -1,-0.2 0.889 110.9 42.7 -57.6 -40.2 8.2 54.9 24.7 147 148 A E H X S+ 0 0 4 -4,-1.4 4,-2.3 2,-0.2 -2,-0.2 0.905 112.2 52.5 -73.6 -42.9 11.1 56.9 23.2 148 149 A L H X S+ 0 0 0 -4,-2.9 4,-2.5 1,-0.2 -2,-0.2 0.894 105.7 56.4 -59.5 -39.1 8.9 59.9 22.3 149 150 A N H X S+ 0 0 1 -4,-2.9 4,-2.1 1,-0.2 -1,-0.2 0.943 107.4 47.5 -58.5 -48.6 7.8 60.0 25.9 150 151 A V H X S+ 0 0 0 -4,-1.4 4,-2.1 1,-0.2 -1,-0.2 0.930 111.6 50.7 -58.4 -47.2 11.3 60.2 27.2 151 152 A M H X S+ 0 0 5 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.890 110.1 49.9 -59.3 -41.1 12.2 63.0 24.7 152 153 A E H X S+ 0 0 8 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.861 110.0 50.3 -67.5 -35.0 9.1 65.0 25.7 153 154 A Q H X S+ 0 0 6 -4,-2.1 4,-2.9 2,-0.2 -1,-0.2 0.863 108.7 51.8 -71.4 -34.8 10.0 64.7 29.4 154 155 A V H X S+ 0 0 3 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.926 111.8 48.0 -63.1 -43.0 13.5 65.9 28.7 155 156 A Y H X S+ 0 0 45 -4,-2.0 4,-1.4 2,-0.2 -2,-0.2 0.918 111.9 49.4 -62.6 -45.7 11.9 68.8 26.9 156 157 A N H X S+ 0 0 29 -4,-2.6 4,-0.6 1,-0.2 3,-0.4 0.930 111.5 48.1 -60.3 -47.6 9.6 69.5 29.8 157 158 A L H >< S+ 0 0 0 -4,-2.9 3,-1.1 1,-0.2 6,-0.5 0.909 108.7 54.5 -60.9 -41.8 12.4 69.4 32.3 158 159 A G H 3< S+ 0 0 0 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.796 109.0 49.1 -62.9 -29.1 14.5 71.7 30.2 159 160 A H H 3< S+ 0 0 76 -4,-1.4 -1,-0.3 -3,-0.4 -2,-0.2 0.505 84.2 110.9 -90.0 -4.3 11.6 74.2 30.2 160 161 A S S S+ 0 0 119 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.817 113.5 63.1 -63.9 -28.8 11.9 77.5 35.6 162 163 A I H > S+ 0 0 16 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.948 109.5 35.4 -60.7 -52.8 14.5 75.4 37.6 163 164 A M H > S+ 0 0 0 -6,-0.5 4,-2.6 2,-0.2 5,-0.3 0.880 115.7 55.8 -70.9 -39.0 16.5 74.4 34.6 164 165 A Q H X S+ 0 0 50 -4,-2.2 4,-1.8 1,-0.2 -2,-0.2 0.924 111.5 43.3 -60.2 -44.6 16.0 77.7 32.8 165 166 A S H X S+ 0 0 48 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.881 112.2 53.6 -70.0 -37.2 17.4 79.7 35.7 166 167 A A H <>S+ 0 0 0 -4,-1.7 5,-2.8 -5,-0.2 -2,-0.2 0.941 113.3 41.9 -62.1 -48.9 20.3 77.2 36.3 167 168 A W H ><5S+ 0 0 20 -4,-2.6 3,-1.2 3,-0.2 -1,-0.2 0.852 111.4 58.4 -66.7 -33.6 21.5 77.5 32.7 168 169 A K H 3<5S+ 0 0 164 -4,-1.8 -2,-0.2 -5,-0.3 -1,-0.2 0.893 105.4 47.3 -63.7 -41.5 20.9 81.2 32.8 169 170 A R T 3<5S- 0 0 129 -4,-2.2 -1,-0.3 -5,-0.1 -2,-0.2 0.342 124.1-106.0 -82.9 9.1 23.3 81.8 35.7 170 171 A G T < 5 + 0 0 50 -3,-1.2 -3,-0.2 1,-0.2 2,-0.2 0.717 61.4 161.4 77.8 23.6 25.8 79.6 33.8 171 172 A Q < - 0 0 36 -5,-2.8 2,-1.0 -6,-0.2 -1,-0.2 -0.517 42.3-121.0 -77.6 145.3 25.6 76.4 35.9 172 173 A K + 0 0 170 -2,-0.2 2,-0.4 -84,-0.1 -1,-0.1 -0.756 53.3 142.2 -89.9 102.8 26.9 73.2 34.3 173 174 A V - 0 0 1 -2,-1.0 2,-0.4 22,-0.4 -82,-0.2 -0.977 29.0-162.0-143.1 126.3 24.0 70.7 34.2 174 175 A T E -c 91 0A 25 -84,-2.6 -82,-3.2 -2,-0.4 2,-0.4 -0.906 5.2-151.9-114.1 139.6 23.4 68.3 31.4 175 176 A I E -cD 92 194A 0 19,-2.5 19,-2.0 -2,-0.4 2,-0.3 -0.900 13.6-168.8-109.0 136.9 20.1 66.4 30.6 176 177 A H E -c 93 0A 26 -84,-2.7 -82,-2.5 -2,-0.4 2,-0.6 -0.934 14.2-149.1-125.2 147.9 20.1 63.0 28.9 177 178 A G E +c 94 0A 0 -2,-0.3 13,-2.6 -84,-0.2 14,-0.3 -0.943 30.6 163.0-119.8 109.4 17.3 61.0 27.4 178 179 A W E -cE 95 189A 48 -84,-2.4 -82,-2.3 -2,-0.6 2,-0.3 -0.734 17.5-173.0-121.0 170.2 17.9 57.2 27.5 179 180 A A E -cE 96 188A 0 9,-1.3 9,-2.7 -84,-0.2 2,-0.3 -0.969 4.1-168.6-158.6 149.4 15.9 54.0 27.2 180 181 A Y E -cE 97 187A 10 -84,-1.2 -82,-1.9 -2,-0.3 2,-0.3 -0.949 11.2-138.7-140.8 160.7 16.6 50.3 27.7 181 182 A G >> - 0 0 1 5,-0.5 4,-2.1 -2,-0.3 3,-0.8 -0.870 19.4-128.0-121.3 156.9 14.9 47.0 27.0 182 183 A I T 34 S+ 0 0 100 -84,-0.3 -1,-0.1 -2,-0.3 -83,-0.0 0.529 99.1 76.9 -78.4 -6.2 14.6 43.8 28.9 183 184 A H T 34 S- 0 0 145 1,-0.1 -1,-0.2 3,-0.1 -3,-0.0 0.784 125.1 -9.0 -75.2 -25.8 15.9 41.7 26.0 184 185 A D T <4 S- 0 0 91 -3,-0.8 -2,-0.2 2,-0.1 3,-0.1 0.406 82.4-121.8-150.3 -2.9 19.5 42.7 26.7 185 186 A G < + 0 0 30 -4,-2.1 2,-0.5 1,-0.2 -3,-0.1 0.720 57.5 156.5 62.1 21.7 19.6 45.5 29.3 186 187 A L - 0 0 117 -5,-0.3 -5,-0.5 1,-0.0 -1,-0.2 -0.692 41.2-129.9 -86.9 123.0 21.4 47.7 26.8 187 188 A L E -E 180 0A 56 -2,-0.5 2,-0.5 -136,-0.2 -7,-0.2 -0.470 19.8-157.4 -70.6 138.7 21.1 51.5 27.4 188 189 A R E -E 179 0A 128 -9,-2.7 -9,-1.3 -2,-0.2 2,-0.7 -0.972 8.5-142.8-123.5 118.2 20.1 53.4 24.3 189 190 A D E -E 178 0A 81 -2,-0.5 -11,-0.2 -11,-0.2 -9,-0.0 -0.698 3.0-159.5 -81.9 116.1 20.9 57.1 24.0 190 191 A L - 0 0 16 -13,-2.6 -1,-0.1 -2,-0.7 -12,-0.1 0.439 35.3-127.9 -75.2 2.4 18.0 58.9 22.3 191 192 A D S S+ 0 0 58 -14,-0.3 16,-0.1 1,-0.1 -13,-0.1 0.839 72.6 123.5 54.4 45.4 20.5 61.7 21.5 192 193 A V + 0 0 4 -15,-0.3 11,-0.1 14,-0.1 12,-0.1 0.088 33.9 160.9-116.6 20.1 18.6 64.6 22.9 193 194 A T - 0 0 37 -16,-0.1 2,-0.4 10,-0.1 -17,-0.2 -0.171 19.8-164.8 -49.3 121.5 21.3 65.7 25.2 194 195 A A B +D 175 0A 0 -19,-2.0 -19,-2.5 1,-0.1 3,-0.1 -0.952 26.1 167.4-119.1 130.1 20.9 69.3 26.3 195 196 A T S S- 0 0 64 -2,-0.4 -22,-0.4 1,-0.2 2,-0.3 0.448 73.7 -1.8-113.5 -9.1 23.5 71.5 28.0 196 197 A N S > S- 0 0 59 -24,-0.1 4,-2.0 1,-0.0 -1,-0.2 -0.961 88.7 -76.4-166.7 176.9 21.7 74.9 27.6 197 198 A R H > S+ 0 0 82 -2,-0.3 4,-1.4 1,-0.2 5,-0.1 0.846 124.9 49.0 -53.9 -40.5 18.6 76.6 26.3 198 199 A E H > S+ 0 0 151 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.944 112.3 44.2 -68.5 -50.6 19.9 76.4 22.7 199 200 A T H > S+ 0 0 25 1,-0.2 4,-3.0 2,-0.2 5,-0.4 0.792 106.8 63.5 -66.6 -26.4 20.9 72.8 22.6 200 201 A L H X S+ 0 0 4 -4,-2.0 4,-1.5 2,-0.2 -1,-0.2 0.970 110.2 37.5 -59.1 -52.9 17.6 71.8 24.3 201 202 A E H X S+ 0 0 53 -4,-1.4 4,-1.6 2,-0.2 -2,-0.2 0.891 120.1 47.9 -65.7 -42.3 15.6 73.1 21.3 202 203 A Q H X S+ 0 0 117 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.950 113.7 43.6 -66.5 -51.0 18.1 71.9 18.7 203 204 A R H X S+ 0 0 62 -4,-3.0 4,-2.9 2,-0.2 -1,-0.2 0.791 108.7 60.0 -67.1 -28.7 18.5 68.3 20.1 204 205 A Y H X S+ 0 0 26 -4,-1.5 4,-2.0 -5,-0.4 -1,-0.2 0.971 109.6 41.1 -62.1 -53.6 14.8 68.0 20.6 205 206 A R H X S+ 0 0 150 -4,-1.6 4,-2.4 1,-0.2 -2,-0.2 0.880 113.5 56.6 -60.4 -37.8 14.1 68.5 17.0 206 207 A H H X S+ 0 0 56 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.936 106.1 49.0 -59.1 -49.2 17.1 66.3 16.2 207 208 A G H X S+ 0 0 0 -4,-2.9 4,-0.6 1,-0.2 -1,-0.2 0.904 111.9 47.7 -58.7 -43.9 15.7 63.4 18.2 208 209 A I H >X S+ 0 0 27 -4,-2.0 4,-1.3 1,-0.2 3,-0.7 0.881 111.1 52.7 -64.9 -38.5 12.3 63.7 16.5 209 210 A S H 3X S+ 0 0 60 -4,-2.4 4,-1.3 1,-0.2 3,-0.3 0.895 100.9 58.8 -64.7 -42.7 14.0 63.9 13.1 210 211 A N H 3X S+ 0 0 66 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.694 106.3 51.8 -61.4 -17.4 16.0 60.7 13.7 211 212 A L H << S+ 0 0 8 -3,-0.7 -1,-0.2 -4,-0.6 -2,-0.2 0.824 97.3 63.0 -86.3 -36.3 12.7 59.0 14.1 212 213 A K H < S+ 0 0 94 -4,-1.3 -2,-0.2 -3,-0.3 -1,-0.2 0.847 112.8 40.0 -54.9 -33.2 11.2 60.2 10.8 213 214 A L H < 0 0 133 -4,-1.3 -2,-0.2 1,-0.1 -1,-0.2 0.974 360.0 360.0 -77.8 -65.2 14.0 58.2 9.3 214 215 A K < 0 0 77 -4,-1.8 -2,-0.2 -5,-0.1 -3,-0.1 0.802 360.0 360.0 -32.0 360.0 14.0 55.1 11.5