==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE ACTIVATOR 09-JUL-06 2IXM . COMPND 2 MOLECULE: SERINE/THREONINE-PROTEIN PHOSPHATASE 2A . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR N.LEULLIOT,G.VICENTINI,J.JORDENS,S.QUEVILLON-CHERUEL, . 300 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13908.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 207 69.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 3 1.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 7 2.3 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 5 1.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 46 15.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 133 44.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 2.7 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 0 2 2 0 2 0 0 1 0 0 2 2 0 2 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 2 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 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 23 A F 0 0 125 0, 0.0 2,-0.3 0, 0.0 108,-0.0 0.000 360.0 360.0 360.0 148.5 35.2 15.3 25.7 2 24 A I - 0 0 100 107,-0.1 289,-0.4 3,-0.0 290,-0.2 -0.887 360.0 -80.3-141.7 171.1 34.0 17.7 28.4 3 25 A I - 0 0 141 -2,-0.3 2,-0.1 287,-0.1 286,-0.1 -0.685 49.6-125.5 -76.1 113.5 30.9 19.7 29.5 4 26 A P - 0 0 3 0, 0.0 2,-0.3 0, 0.0 286,-0.3 -0.429 37.9-176.5 -60.4 132.7 30.8 22.9 27.3 5 27 A K E -A 289 0A 123 284,-2.3 284,-2.8 -2,-0.1 2,-0.2 -0.863 30.5 -89.2-131.2 162.3 30.6 25.9 29.6 6 28 A K E +A 288 0A 82 -2,-0.3 282,-0.2 282,-0.2 280,-0.1 -0.458 38.2 168.6 -71.1 140.3 30.3 29.6 29.4 7 29 A E + 0 0 39 280,-0.7 2,-0.8 278,-0.2 3,-0.2 0.444 51.2 88.5-128.6 -8.7 33.6 31.6 29.1 8 30 A I + 0 0 1 277,-0.5 -1,-0.1 279,-0.3 3,-0.1 -0.853 40.4 131.7-101.3 102.1 32.5 35.1 28.1 9 31 A H + 0 0 115 -2,-0.8 2,-0.2 1,-0.2 -1,-0.2 0.628 64.1 30.6-120.9 -28.4 31.8 37.1 31.3 10 32 A T S S- 0 0 70 -3,-0.2 4,-0.5 1,-0.1 3,-0.4 -0.779 86.8 -96.8-129.1 171.1 33.6 40.4 30.9 11 33 A V S >> S+ 0 0 123 -2,-0.2 3,-2.1 1,-0.2 4,-0.6 0.942 121.6 54.3 -57.1 -49.6 34.6 42.8 28.1 12 34 A P H >> S+ 0 0 99 0, 0.0 4,-1.6 0, 0.0 3,-0.8 0.819 97.0 68.7 -55.9 -27.0 38.2 41.4 27.8 13 35 A D H 3> S+ 0 0 25 -3,-0.4 4,-2.4 1,-0.2 -2,-0.2 0.739 86.2 67.4 -65.1 -21.0 36.6 37.9 27.3 14 36 A M H <> S+ 0 0 32 -3,-2.1 4,-2.3 -4,-0.5 -1,-0.2 0.901 102.9 45.1 -63.5 -39.0 35.3 39.1 24.0 15 37 A G H < S+ 0 0 3 -4,-2.4 3,-1.6 1,-0.2 6,-0.5 0.943 110.0 50.9 -60.5 -48.7 36.7 34.5 22.2 18 40 A K H 3< S+ 0 0 102 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.820 113.0 47.1 -64.2 -26.5 37.9 36.1 19.0 19 41 A R T 3< S+ 0 0 158 -4,-2.0 279,-2.7 -5,-0.1 -1,-0.3 0.462 95.8 110.9 -88.7 -1.7 41.4 34.6 19.5 20 42 A S B <> S-B 297 0B 0 -3,-1.6 4,-2.0 -4,-0.4 275,-0.1 -0.276 76.9-124.6 -80.9 158.5 40.0 31.2 20.3 21 43 A Q H > S+ 0 0 27 275,-2.9 4,-2.5 273,-0.3 5,-0.3 0.900 113.1 59.1 -57.5 -42.8 40.1 27.9 18.4 22 44 A A H > S+ 0 0 0 272,-2.4 4,-2.6 274,-0.3 -1,-0.2 0.909 105.6 47.1 -56.0 -47.5 36.3 27.8 18.7 23 45 A Y H > S+ 0 0 22 -6,-0.5 4,-2.9 271,-0.2 5,-0.4 0.940 111.8 49.4 -63.2 -46.6 35.9 31.1 16.8 24 46 A A H X S+ 0 0 36 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.922 115.4 44.0 -58.3 -43.6 38.3 30.1 14.0 25 47 A D H X S+ 0 0 35 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.900 115.3 49.3 -67.8 -42.1 36.5 26.8 13.5 26 48 A Y H X S+ 0 0 0 -4,-2.6 4,-2.3 -5,-0.3 -2,-0.2 0.964 114.9 40.4 -65.2 -54.6 33.1 28.4 13.7 27 49 A I H X S+ 0 0 19 -4,-2.9 4,-2.4 1,-0.2 5,-0.2 0.898 114.1 54.9 -64.7 -37.5 33.6 31.3 11.3 28 50 A G H X S+ 0 0 31 -4,-2.1 4,-2.4 -5,-0.4 -1,-0.2 0.902 108.6 49.8 -57.6 -40.3 35.6 28.9 9.0 29 51 A F H X S+ 0 0 16 -4,-2.0 4,-2.5 2,-0.2 5,-0.2 0.935 109.7 49.1 -65.9 -48.2 32.5 26.6 9.0 30 52 A I H X S+ 0 0 1 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.914 114.7 46.0 -56.3 -45.2 30.1 29.4 8.2 31 53 A L H X S+ 0 0 60 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.872 109.9 53.1 -69.8 -37.7 32.3 30.6 5.3 32 54 A T H X S+ 0 0 66 -4,-2.4 4,-2.1 -5,-0.2 -2,-0.2 0.943 112.2 44.7 -61.0 -48.6 32.9 27.1 3.9 33 55 A L H X S+ 0 0 0 -4,-2.5 4,-1.5 1,-0.2 -2,-0.2 0.872 109.7 57.4 -65.1 -36.4 29.1 26.5 3.7 34 56 A N H < S+ 0 0 2 -4,-1.9 4,-0.4 -5,-0.2 -1,-0.2 0.907 109.3 44.6 -57.6 -44.8 28.6 29.9 2.2 35 57 A E H >< S+ 0 0 111 -4,-2.1 3,-1.2 1,-0.2 -2,-0.2 0.903 108.7 57.5 -67.6 -40.4 30.9 29.1 -0.7 36 58 A G H 3< S+ 0 0 24 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.801 108.3 44.7 -63.2 -31.6 29.4 25.7 -1.2 37 59 A V T >< S+ 0 0 0 -4,-1.5 3,-2.1 -3,-0.2 -1,-0.2 0.452 80.6 137.8 -92.5 -2.0 25.9 27.0 -1.8 38 60 A K T < S- 0 0 92 -3,-1.2 166,-0.3 -4,-0.4 165,-0.1 -0.180 78.9 -4.3 -54.5 126.0 26.9 29.8 -4.1 39 61 A G T 3 S+ 0 0 48 164,-2.2 2,-0.4 1,-0.2 -1,-0.3 0.537 104.4 124.6 73.2 9.6 24.6 30.2 -7.1 40 62 A K < - 0 0 52 -3,-2.1 -1,-0.2 4,-0.0 2,-0.1 -0.842 54.7-133.8-112.5 139.3 22.5 27.1 -6.3 41 63 A K > - 0 0 82 -2,-0.4 3,-2.1 -3,-0.1 188,-0.2 -0.472 33.2-108.7 -73.7 157.4 18.7 26.7 -5.8 42 64 A L T 3 S+ 0 0 18 186,-2.3 186,-0.1 1,-0.3 187,-0.1 0.735 119.9 59.9 -57.3 -24.8 17.4 24.7 -2.8 43 65 A T T 3 S+ 0 0 103 185,-0.1 -1,-0.3 2,-0.1 185,-0.1 0.319 73.8 136.3 -89.3 5.4 16.4 21.9 -5.3 44 66 A F < - 0 0 90 -3,-2.1 2,-1.8 1,-0.1 -4,-0.0 -0.232 70.0-107.9 -50.7 139.6 20.0 21.5 -6.5 45 67 A E + 0 0 185 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.575 57.7 164.9 -80.3 85.4 20.7 17.8 -6.8 46 68 A Y - 0 0 46 -2,-1.8 2,-0.1 1,-0.1 108,-0.1 -0.646 42.4 -92.8 -99.5 158.5 23.0 17.4 -3.8 47 69 A R - 0 0 173 106,-0.4 2,-0.5 -2,-0.2 110,-0.3 -0.443 33.1-155.3 -72.6 141.6 24.1 14.1 -2.1 48 70 A V - 0 0 69 -2,-0.1 2,-0.1 109,-0.0 106,-0.1 -0.926 12.6-168.8-126.8 105.8 22.0 12.9 0.8 49 71 A S > - 0 0 36 -2,-0.5 4,-2.4 1,-0.1 5,-0.1 -0.343 37.7-103.8 -87.8 167.9 23.7 10.7 3.3 50 72 A E H > S+ 0 0 135 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.893 122.2 54.5 -55.8 -43.1 22.3 8.6 6.2 51 73 A A H > S+ 0 0 15 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.907 108.0 49.4 -62.3 -40.1 23.6 11.2 8.7 52 74 A I H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.945 111.2 49.8 -61.7 -45.8 21.7 13.9 6.8 53 75 A E H X S+ 0 0 118 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.897 110.4 50.0 -57.8 -43.0 18.6 11.7 6.9 54 76 A K H X S+ 0 0 77 -4,-2.7 4,-2.1 2,-0.2 -1,-0.2 0.849 108.6 52.5 -67.4 -34.7 18.9 11.1 10.6 55 77 A L H X S+ 0 0 1 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.890 109.1 49.7 -67.3 -40.4 19.3 14.9 11.2 56 78 A L H X S+ 0 0 18 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.929 110.8 49.8 -60.9 -43.9 16.1 15.5 9.3 57 79 A A H X S+ 0 0 47 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.884 107.8 54.9 -62.5 -37.0 14.4 12.8 11.4 58 80 A L H X S+ 0 0 2 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.942 110.1 45.1 -59.8 -46.2 15.7 14.5 14.5 59 81 A L H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.887 109.8 55.4 -68.0 -36.6 14.2 17.8 13.5 60 82 A N H X S+ 0 0 73 -4,-2.5 4,-2.6 2,-0.2 -1,-0.2 0.833 104.6 54.4 -64.4 -30.0 10.9 16.0 12.6 61 83 A T H X S+ 0 0 31 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.946 107.5 49.3 -63.8 -48.3 10.9 14.6 16.1 62 84 A L H X S+ 0 0 1 -4,-1.9 4,-1.3 1,-0.2 -2,-0.2 0.912 112.2 49.6 -54.0 -44.8 11.1 18.2 17.5 63 85 A D H X S+ 0 0 29 -4,-2.3 4,-1.9 2,-0.2 3,-0.4 0.921 107.9 52.3 -61.4 -47.6 8.3 19.1 15.2 64 86 A R H X S+ 0 0 116 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.910 105.5 55.9 -57.2 -42.2 6.1 16.2 16.3 65 87 A W H < S+ 0 0 20 -4,-2.4 4,-0.5 2,-0.2 -1,-0.2 0.840 103.2 55.0 -60.9 -33.1 6.6 17.3 19.9 66 88 A I H >< S+ 0 0 4 -4,-1.3 3,-1.8 -3,-0.4 -1,-0.2 0.963 107.5 49.5 -61.1 -49.6 5.2 20.7 19.1 67 89 A D H 3< S+ 0 0 104 -4,-1.9 -2,-0.2 1,-0.3 -1,-0.2 0.832 112.3 48.4 -58.0 -34.5 2.1 19.1 17.7 68 90 A E T 3< S+ 0 0 108 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.526 109.2 57.8 -79.4 -7.9 1.8 17.0 20.9 69 91 A T S < S- 0 0 16 -3,-1.8 -1,-0.2 -4,-0.5 17,-0.1 -0.681 76.5-170.5-129.8 74.5 2.3 20.1 23.1 70 92 A P - 0 0 86 0, 0.0 -3,-0.1 0, 0.0 -2,-0.0 -0.235 34.4 -88.6 -68.9 156.8 -0.4 22.7 22.2 71 93 A P - 0 0 56 0, 0.0 2,-0.3 0, 0.0 106,-0.1 -0.259 46.3-129.5 -55.3 148.6 -0.3 26.3 23.5 72 94 A V - 0 0 72 -3,-0.1 2,-0.3 105,-0.0 9,-0.1 -0.771 18.1-105.2-104.0 148.6 -2.0 26.8 26.9 73 95 A D + 0 0 171 -2,-0.3 -1,-0.0 7,-0.1 8,-0.0 -0.567 59.0 158.1 -60.9 130.7 -4.7 29.3 28.0 74 96 A Q - 0 0 34 -2,-0.3 6,-0.0 2,-0.1 0, 0.0 -0.989 52.6-125.0-157.6 154.7 -2.7 31.8 30.1 75 97 A P S S+ 0 0 122 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.857 81.5 95.3 -70.5 -37.5 -2.8 35.4 31.4 76 98 A S - 0 0 56 1,-0.1 -2,-0.1 3,-0.1 5,-0.1 -0.307 61.5-154.6 -62.5 137.5 0.6 36.4 30.1 77 99 A R S S+ 0 0 231 3,-0.0 -1,-0.1 -2,-0.0 3,-0.1 0.276 76.1 58.0 -94.8 8.0 0.5 38.2 26.7 78 100 A F S S+ 0 0 128 1,-0.3 49,-0.1 102,-0.0 101,-0.1 0.122 103.0 3.8-106.7-136.3 4.1 37.2 25.8 79 101 A G S S- 0 0 7 47,-0.3 2,-0.4 48,-0.1 -1,-0.3 -0.142 75.2-116.4 -50.4 139.7 5.6 33.7 25.4 80 102 A N > - 0 0 13 97,-3.2 3,-2.4 1,-0.1 4,-0.3 -0.690 12.6-135.8 -86.6 130.2 3.3 30.8 25.9 81 103 A K T >> S+ 0 0 106 -2,-0.4 3,-1.5 1,-0.3 4,-0.8 0.681 97.9 77.1 -58.1 -22.9 4.2 28.6 28.9 82 104 A A H 3> S+ 0 0 2 1,-0.3 4,-2.3 2,-0.2 3,-0.4 0.783 79.8 72.5 -60.8 -24.0 3.7 25.4 26.8 83 105 A Y H <> S+ 0 0 0 -3,-2.4 4,-3.1 1,-0.2 -1,-0.3 0.881 93.1 54.7 -54.4 -38.5 7.1 26.2 25.3 84 106 A R H <> S+ 0 0 88 -3,-1.5 4,-2.1 -4,-0.3 -1,-0.2 0.852 105.6 50.8 -67.6 -34.5 8.6 25.1 28.6 85 107 A T H X S+ 0 0 82 -4,-0.8 4,-1.2 -3,-0.4 -1,-0.2 0.928 113.1 46.1 -64.9 -44.9 6.8 21.7 28.4 86 108 A W H >X S+ 0 0 0 -4,-2.3 4,-1.7 1,-0.2 3,-0.7 0.949 112.8 50.2 -60.5 -47.7 8.2 21.3 24.8 87 109 A Y H 3X S+ 0 0 33 -4,-3.1 4,-3.0 1,-0.3 -1,-0.2 0.869 102.9 60.0 -61.9 -38.6 11.7 22.3 25.9 88 110 A A H 3X S+ 0 0 57 -4,-2.1 4,-2.1 1,-0.2 -1,-0.3 0.857 104.0 51.5 -59.1 -34.6 11.7 19.9 28.9 89 111 A K H S+ 0 0 84 -4,-0.3 4,-2.5 -3,-0.3 -1,-0.2 0.903 111.8 50.5 -64.1 -39.6 21.4 12.8 24.0 96 118 A N H > S+ 0 0 100 -4,-0.2 4,-0.9 2,-0.2 -2,-0.2 0.944 111.8 48.4 -60.5 -46.3 19.0 10.1 22.6 97 119 A L H >< S+ 0 0 13 -4,-2.7 3,-1.0 1,-0.2 4,-0.5 0.936 112.6 46.9 -57.7 -49.6 18.3 12.3 19.6 98 120 A V H >X S+ 0 0 0 -4,-2.8 4,-2.5 1,-0.2 3,-1.6 0.880 105.6 61.3 -62.4 -37.2 22.0 13.0 18.9 99 121 A A H 3< S+ 0 0 50 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.735 94.4 62.2 -63.3 -21.7 22.8 9.3 19.3 100 122 A T T << S+ 0 0 68 -3,-1.0 -1,-0.3 -4,-0.9 -2,-0.2 0.743 113.3 36.2 -73.9 -20.0 20.5 8.4 16.4 101 123 A V T <4 S+ 0 0 9 -3,-1.6 -2,-0.2 -4,-0.5 -1,-0.1 0.815 106.8 69.8 -94.9 -42.8 22.8 10.5 14.2 102 124 A V S < S- 0 0 7 -4,-2.5 -1,-0.1 1,-0.1 8,-0.0 -0.713 87.1-122.6 -86.1 119.0 26.2 9.7 15.8 103 125 A P > - 0 0 62 0, 0.0 3,-2.2 0, 0.0 -2,-0.1 -0.184 27.8-105.3 -59.4 157.4 27.4 6.1 15.1 104 126 A T G > S+ 0 0 132 1,-0.3 3,-1.9 2,-0.2 4,-0.2 0.783 115.4 65.7 -61.2 -29.0 28.1 4.0 18.1 105 127 A H G 3 S+ 0 0 149 1,-0.3 -1,-0.3 2,-0.1 3,-0.2 0.676 106.8 45.0 -68.8 -12.0 31.9 4.1 17.8 106 128 A L G X S+ 0 0 45 -3,-2.2 3,-2.2 1,-0.1 4,-0.4 0.109 75.0 123.2-113.1 22.0 31.7 7.8 18.5 107 129 A A G X + 0 0 51 -3,-1.9 3,-1.6 1,-0.3 -1,-0.1 0.777 62.4 69.6 -54.8 -32.3 29.3 7.5 21.4 108 130 A A G 3 S+ 0 0 71 1,-0.3 4,-0.4 -4,-0.2 -1,-0.3 0.765 95.9 55.3 -57.4 -26.8 31.7 9.3 23.8 109 131 A A G <> S+ 0 0 0 -3,-2.2 4,-2.5 1,-0.2 5,-0.3 0.612 83.1 89.5 -81.8 -15.0 31.0 12.6 21.8 110 132 A V H <> S+ 0 0 12 -3,-1.6 4,-2.7 -4,-0.4 5,-0.2 0.885 84.2 48.3 -57.3 -50.5 27.2 12.5 22.2 111 133 A P H > S+ 0 0 55 0, 0.0 4,-1.2 0, 0.0 -1,-0.2 0.924 114.9 45.2 -59.7 -42.3 26.9 14.4 25.5 112 134 A E H >> S+ 0 0 4 -4,-0.4 4,-0.9 2,-0.2 3,-0.6 0.949 115.6 46.2 -64.3 -48.0 29.1 17.3 24.4 113 135 A V H >X S+ 0 0 0 -4,-2.5 4,-1.3 1,-0.2 3,-0.7 0.912 108.7 57.5 -60.0 -39.8 27.5 17.5 20.9 114 136 A A H 3X S+ 0 0 0 -4,-2.7 4,-2.6 -5,-0.3 -1,-0.2 0.785 92.9 67.3 -67.2 -26.7 24.0 17.4 22.6 115 137 A V H < S+ 0 0 0 -4,-1.3 3,-1.7 1,-0.2 -1,-0.2 0.932 107.5 53.2 -59.0 -44.7 21.4 21.1 20.4 118 140 A K H 3< S+ 0 0 34 -4,-2.6 3,-0.3 1,-0.3 -1,-0.2 0.709 111.4 47.6 -64.0 -20.5 20.0 22.0 23.9 119 141 A E T << S+ 0 0 46 -4,-1.1 17,-0.3 -3,-0.6 -1,-0.3 0.355 97.8 73.9 -97.1 4.6 21.2 25.6 23.3 120 142 A S S < S+ 0 0 0 -3,-1.7 17,-0.2 -4,-0.3 -1,-0.1 0.386 86.8 55.1-103.7 6.4 19.8 25.9 19.7 121 143 A V S S- 0 0 0 1,-0.4 2,-0.2 -3,-0.3 -1,-0.2 0.323 106.7 -84.4-128.1 5.0 16.1 26.3 20.2 122 144 A G - 0 0 5 -3,-0.3 2,-0.5 8,-0.1 -1,-0.4 -0.535 52.2 -60.9 115.7 179.7 15.5 29.2 22.6 123 145 A N B >> -C 128 0C 38 5,-2.5 4,-1.7 -2,-0.2 5,-1.0 -0.902 29.0-156.0-111.7 125.5 15.4 29.9 26.3 124 146 A S T 45S+ 0 0 32 -2,-0.5 -1,-0.1 2,-0.2 -40,-0.1 0.913 92.7 47.8 -63.8 -46.3 12.9 28.2 28.6 125 147 A T T 45S+ 0 0 109 1,-0.2 -1,-0.2 2,-0.1 -41,-0.1 0.925 124.8 29.6 -62.4 -46.6 12.8 30.8 31.4 126 148 A R T 45S- 0 0 113 2,-0.1 -47,-0.3 54,-0.0 54,-0.2 0.611 94.8-135.9 -89.0 -14.4 12.4 33.8 29.1 127 149 A I T <5 + 0 0 5 -4,-1.7 53,-2.3 1,-0.2 2,-0.3 0.956 61.9 130.4 47.3 55.7 10.5 32.0 26.3 128 150 A D E < -Cd 123 180C 14 -5,-1.0 -5,-2.5 51,-0.2 2,-0.3 -0.832 44.1-159.4-132.4 167.4 12.7 33.8 23.8 129 151 A Y E + d 0 181C 1 51,-1.9 53,-2.1 -2,-0.3 54,-0.3 -0.984 18.1 158.0-149.6 138.5 14.9 33.0 20.8 130 152 A G >> - 0 0 6 -2,-0.3 4,-1.7 51,-0.2 3,-1.0 -0.843 56.9 -75.9-150.0-172.6 17.7 34.9 19.1 131 153 A T H 3> S+ 0 0 21 1,-0.3 4,-2.0 -2,-0.2 65,-0.1 0.675 120.6 65.5 -69.2 -15.6 20.7 34.7 16.8 132 154 A G H 3> S+ 0 0 24 2,-0.2 4,-1.5 1,-0.2 -1,-0.3 0.844 102.9 46.8 -70.3 -34.9 22.7 33.1 19.7 133 155 A H H <> S+ 0 0 21 -3,-1.0 4,-1.5 2,-0.2 -2,-0.2 0.904 110.6 51.9 -70.9 -42.7 20.5 30.1 19.6 134 156 A E H X S+ 0 0 0 -4,-1.7 4,-2.0 59,-0.3 3,-0.2 0.909 108.2 53.0 -56.2 -41.8 20.8 30.0 15.8 135 157 A A H X S+ 0 0 0 -4,-2.0 4,-2.5 1,-0.2 -1,-0.2 0.877 104.1 55.6 -62.2 -38.3 24.6 30.1 16.3 136 158 A A H X S+ 0 0 8 -4,-1.5 4,-2.3 -17,-0.3 -1,-0.2 0.838 105.7 52.2 -64.2 -33.1 24.4 27.1 18.7 137 159 A F H X S+ 0 0 0 -4,-1.5 4,-2.3 -3,-0.2 -2,-0.2 0.926 110.0 47.3 -68.6 -42.6 22.7 25.1 15.9 138 160 A A H X S+ 0 0 0 -4,-2.0 4,-2.7 1,-0.2 -2,-0.2 0.897 112.0 51.8 -60.6 -38.2 25.5 26.0 13.5 139 161 A A H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.890 106.1 53.8 -64.9 -41.5 27.9 25.0 16.3 140 162 A F H X S+ 0 0 1 -4,-2.3 4,-1.7 2,-0.2 -2,-0.2 0.928 112.5 44.0 -53.6 -49.5 26.1 21.6 16.7 141 163 A L H X S+ 0 0 0 -4,-2.3 4,-1.7 2,-0.2 -2,-0.2 0.893 110.5 55.1 -64.9 -40.3 26.5 21.0 13.0 142 164 A C H X S+ 0 0 4 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.917 106.3 51.6 -59.3 -43.4 30.1 22.2 13.1 143 165 A C H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.892 106.4 54.1 -61.3 -40.3 30.8 19.6 15.9 144 166 A L H <>S+ 0 0 0 -4,-1.7 5,-1.9 1,-0.2 6,-1.7 0.848 110.5 46.6 -64.9 -33.0 29.3 16.8 13.8 145 167 A C H ><5S+ 0 0 31 -4,-1.7 3,-1.2 4,-0.2 -2,-0.2 0.921 109.2 55.0 -69.6 -44.3 31.7 17.7 10.9 146 168 A K H 3<5S+ 0 0 91 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.864 109.7 45.0 -59.3 -41.0 34.7 17.9 13.3 147 169 A I T 3<5S- 0 0 33 -4,-2.2 -1,-0.3 -5,-0.1 -2,-0.2 0.472 118.8-112.7 -82.6 -2.9 34.1 14.3 14.6 148 170 A G T < 5S+ 0 0 24 -3,-1.2 -3,-0.2 -4,-0.2 -2,-0.1 0.612 84.5 120.8 85.5 13.8 33.6 13.1 11.0 149 171 A V S - 0 0 158 -2,-0.4 3,-1.8 -3,-0.0 4,-0.3 -0.609 35.6 -92.3-118.1 175.8 31.7 14.9 5.5 152 174 A V G > S+ 0 0 110 1,-0.3 3,-1.6 -2,-0.2 4,-0.3 0.875 123.6 57.5 -59.8 -35.0 32.6 17.4 2.8 153 175 A D G 3 S+ 0 0 81 1,-0.3 -106,-0.4 2,-0.1 4,-0.3 0.574 100.9 59.1 -74.5 -6.6 30.1 15.9 0.4 154 176 A D G <> S+ 0 0 5 -3,-1.8 4,-2.4 1,-0.1 -1,-0.3 0.449 78.4 96.4 -90.1 -6.5 27.4 16.7 3.0 155 177 A Q H <> S+ 0 0 42 -3,-1.6 4,-1.1 -4,-0.3 5,-0.1 0.859 83.0 45.0 -63.6 -40.4 28.1 20.4 3.1 156 178 A I H >> S+ 0 0 36 -4,-0.3 4,-2.9 1,-0.2 3,-0.7 0.951 114.2 50.8 -64.9 -46.7 25.4 21.5 0.6 157 179 A A H 3>>S+ 0 0 0 -4,-0.3 5,-2.4 -110,-0.3 4,-2.3 0.835 99.4 65.6 -57.7 -35.5 22.8 19.3 2.4 158 180 A I H 3<>S+ 0 0 0 -4,-2.4 5,-3.0 3,-0.2 -1,-0.2 0.917 116.1 28.3 -52.1 -43.4 23.8 20.8 5.7 159 181 A V H <<>S+ 0 0 0 -4,-1.1 5,-1.5 -3,-0.7 -2,-0.2 0.946 127.8 39.2 -80.7 -54.3 22.4 24.1 4.5 160 182 A F H <5S+ 0 0 5 -4,-2.9 -3,-0.2 3,-0.2 -2,-0.2 0.692 131.6 20.2 -77.5 -24.8 19.7 23.1 2.0 161 183 A K T X5S+ 0 0 87 -4,-2.3 4,-1.7 -5,-0.3 -3,-0.2 0.781 131.9 29.6-107.7 -56.8 18.2 20.1 3.8 162 184 A V H >S+ 0 0 7 -4,-2.9 5,-1.5 2,-0.2 4,-0.2 0.915 119.2 35.2 -61.0 -45.1 8.1 31.1 17.3 175 197 A K H ><5S+ 0 0 95 -4,-2.7 3,-0.9 3,-0.2 -2,-0.2 0.952 119.0 48.5 -72.9 -50.6 4.5 31.3 16.1 176 198 A T H 3<5S+ 0 0 33 -4,-2.7 -3,-0.2 -5,-0.3 -2,-0.2 0.896 123.2 31.3 -61.3 -44.1 3.0 28.5 18.1 177 199 A Y T 3<5S- 0 0 0 -4,-2.4 -97,-3.2 -5,-0.3 -1,-0.3 0.291 102.6-124.2-102.2 12.6 4.5 29.6 21.4 178 200 A R T < 5 - 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0 0 14 -3,-1.9 63,-0.4 1,-0.1 3,-0.1 -0.884 69.1-130.9-132.0 162.4 18.2 44.4 14.3 190 212 A L S S- 0 0 11 1,-0.3 63,-0.4 -2,-0.3 2,-0.3 0.942 99.8 -6.5 -68.0 -51.3 18.5 42.8 10.9 191 213 A D S S- 0 0 23 3,-0.3 -1,-0.3 -7,-0.1 -7,-0.1 -0.967 70.2-119.7-143.6 151.6 15.8 40.3 11.7 192 214 A D S S+ 0 0 24 -2,-0.3 -9,-0.4 -3,-0.1 -10,-0.3 0.790 104.6 4.3 -63.6 -27.5 14.0 39.5 15.0 193 215 A F S S+ 0 0 22 -63,-0.1 -59,-0.3 -12,-0.1 2,-0.2 0.696 116.8 50.6-129.4 -38.7 15.2 35.9 15.2 194 216 A Q + 0 0 6 1,-0.1 -3,-0.3 -60,-0.1 -63,-0.1 -0.654 29.1 158.1-117.9 165.0 17.6 34.8 12.4 195 217 A F >> + 0 0 9 -2,-0.2 3,-2.1 -64,-0.1 4,-1.1 0.352 69.1 66.2-143.5 -54.9 20.9 35.8 10.6 196 218 A L H >> S+ 0 0 0 1,-0.3 4,-2.5 2,-0.2 3,-0.5 0.815 95.0 59.8 -49.6 -43.1 22.6 32.9 8.9 197 219 A P H 3> S+ 0 0 0 0, 0.0 4,-1.8 0, 0.0 -1,-0.3 0.761 101.9 55.3 -62.7 -19.7 19.9 32.2 6.3 198 220 A F H <> S+ 0 0 0 -3,-2.1 4,-1.5 3,-0.2 -2,-0.2 0.833 111.5 44.8 -78.2 -31.9 20.4 35.8 5.0 199 221 A I H < S+ 0 0 0 -4,-2.0 -164,-2.2 1,-0.2 3,-1.2 0.902 102.5 56.4 -60.7 -43.0 25.2 33.4 -1.6 204 226 A Q H 3< S+ 0 0 2 -4,-1.8 -1,-0.2 -166,-0.3 -2,-0.2 0.859 107.3 50.6 -50.3 -38.1 22.5 31.3 -3.4 205 227 A L T >< S+ 0 0 0 -4,-1.0 3,-2.1 -3,-0.3 57,-0.3 0.445 76.5 125.3 -90.4 -3.1 21.5 34.4 -5.4 206 228 A I T < S+ 0 0 17 -3,-1.2 -3,-0.0 -4,-0.4 6,-0.0 -0.383 86.4 6.6 -59.4 128.3 24.9 35.5 -6.6 207 229 A D T 3 S+ 0 0 154 1,-0.2 -1,-0.3 -2,-0.1 -2,-0.1 0.658 88.3 168.5 69.9 19.6 24.8 35.8 -10.4 208 230 A H < - 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