==== 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 CELL ADHESION, STRUCTURAL PROTEIN 11-SEP-06 2IBF . COMPND 2 MOLECULE: VINCULIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR T.IZARD . 302 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15278.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 249 82.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 6 2.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 22 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 218 72.2 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+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 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 1 1 0 0 0 1 1 0 3 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 1 A M 0 0 148 0, 0.0 2,-3.0 0, 0.0 119,-0.1 0.000 360.0 360.0 360.0 159.0 19.5 82.2 27.4 2 2 A P + 0 0 118 0, 0.0 8,-0.0 0, 0.0 2,-0.0 -0.105 360.0 148.6 -68.5 44.3 19.3 78.4 27.8 3 3 A V + 0 0 37 -2,-3.0 2,-2.0 1,-0.1 121,-0.1 0.184 20.2 131.2 -68.6 21.0 17.2 78.4 24.6 4 4 A F + 0 0 16 1,-0.2 -1,-0.1 5,-0.1 6,-0.1 -0.560 18.9 159.2 -80.0 77.9 18.6 75.0 23.9 5 5 A H + 0 0 53 -2,-2.0 2,-0.3 4,-0.0 178,-0.3 0.217 61.5 58.2 -79.7 16.5 15.4 73.2 23.1 6 6 A T S > S- 0 0 0 176,-0.1 4,-1.5 177,-0.1 176,-0.2 -0.965 81.6-127.4-142.6 154.7 17.4 70.6 21.2 7 7 A R H > S+ 0 0 114 174,-2.0 4,-1.6 -2,-0.3 175,-0.1 0.791 112.8 44.1 -72.9 -27.2 20.2 68.2 22.2 8 8 A T H > S+ 0 0 44 2,-0.2 4,-1.2 173,-0.2 -1,-0.2 0.912 112.1 49.6 -81.4 -47.0 22.3 69.4 19.2 9 9 A I H > S+ 0 0 0 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.846 113.2 51.5 -59.1 -33.8 21.6 73.1 19.7 10 10 A E H X S+ 0 0 74 -4,-1.5 4,-2.6 2,-0.2 -1,-0.2 0.954 106.3 49.9 -68.3 -52.7 22.6 72.5 23.3 11 11 A S H < S+ 0 0 78 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.682 115.5 48.1 -60.9 -17.0 25.9 70.8 22.6 12 12 A I H < S+ 0 0 10 -4,-1.2 4,-0.4 2,-0.1 -1,-0.2 0.867 122.8 27.3 -90.4 -44.5 26.6 73.7 20.3 13 13 A L H X S+ 0 0 2 -4,-2.2 4,-1.7 -5,-0.1 -2,-0.2 0.486 104.3 80.5 -98.2 -5.1 25.8 76.7 22.5 14 14 A E H X S+ 0 0 42 -4,-2.6 4,-2.0 2,-0.2 5,-0.2 0.981 88.5 50.6 -64.9 -59.7 26.4 75.0 25.9 15 15 A P H > S+ 0 0 70 0, 0.0 4,-1.4 0, 0.0 3,-0.2 0.895 120.0 36.6 -44.0 -53.2 30.2 75.4 26.1 16 16 A V H > S+ 0 0 2 -4,-0.4 4,-1.7 1,-0.2 -2,-0.2 0.794 109.7 63.2 -73.8 -29.8 30.1 79.1 25.3 17 17 A A H X S+ 0 0 13 -4,-1.7 4,-1.1 1,-0.2 -1,-0.2 0.825 104.1 50.1 -63.6 -30.9 26.9 79.6 27.3 18 18 A Q H >X S+ 0 0 102 -4,-2.0 4,-1.7 -3,-0.2 3,-0.7 0.954 105.6 52.8 -71.0 -53.3 28.9 78.6 30.4 19 19 A Q H 3X S+ 0 0 54 -4,-1.4 4,-1.9 1,-0.3 -2,-0.2 0.843 107.5 54.7 -51.7 -36.0 31.8 80.9 29.8 20 20 A I H 3X S+ 0 0 6 -4,-1.7 4,-2.1 1,-0.2 -1,-0.3 0.870 101.8 57.1 -67.3 -36.9 29.3 83.7 29.5 21 21 A S H S+ 0 0 45 -4,-4.9 5,-2.0 1,-0.2 4,-1.8 0.892 110.4 58.1 -73.7 -42.6 32.6 87.4 38.0 27 27 A H H <5S+ 0 0 29 -4,-2.7 -1,-0.2 -5,-0.5 -2,-0.2 0.722 104.3 56.6 -60.4 -20.5 31.7 90.9 36.6 28 28 A E H <5S+ 0 0 126 -4,-1.1 -1,-0.2 1,-0.2 -2,-0.2 0.879 106.4 46.6 -77.3 -40.6 29.2 91.0 39.5 29 29 A E H <5S- 0 0 147 -4,-1.0 -2,-0.2 -3,-0.4 -1,-0.2 0.753 117.9-111.9 -72.1 -25.2 31.8 90.4 42.2 30 30 A G T <5S+ 0 0 46 -4,-1.8 -3,-0.2 0, 0.0 -4,-0.1 0.558 90.8 111.3 102.8 10.3 34.1 93.0 40.6 31 31 A E >< + 0 0 95 -5,-2.0 4,-0.6 1,-0.1 -4,-0.2 0.410 65.6 65.3 -97.2 0.4 36.6 90.4 39.5 32 32 A V T 4 S+ 0 0 9 -6,-0.7 -5,-0.2 1,-0.2 -1,-0.1 0.892 99.6 47.6 -86.7 -47.0 35.9 90.9 35.8 33 33 A D T 4 S+ 0 0 32 -7,-0.2 -1,-0.2 1,-0.2 -2,-0.1 0.368 100.1 86.6 -74.6 6.9 37.1 94.5 35.5 34 34 A G T 4 S+ 0 0 35 68,-0.0 -2,-0.2 2,-0.0 -1,-0.2 0.993 73.4 56.0 -69.7 -81.6 40.1 93.3 37.4 35 35 A K S < S- 0 0 42 -4,-0.6 2,-1.0 246,-0.1 248,-0.0 -0.055 80.5-121.3 -55.9 156.2 42.7 91.9 35.0 36 36 A A - 0 0 51 64,-0.0 64,-0.2 0, 0.0 -1,-0.1 -0.781 38.2-147.8-101.1 85.5 44.2 93.9 32.1 37 37 A I - 0 0 9 -2,-1.0 3,-0.1 62,-0.7 244,-0.1 -0.223 10.5-114.1 -59.8 143.5 43.1 91.6 29.2 38 38 A P - 0 0 67 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 0.309 56.9 -54.6 -57.0-169.7 45.3 91.3 26.0 39 39 A D - 0 0 73 1,-0.1 3,-0.4 57,-0.0 54,-0.1 -0.667 42.8-176.0 -82.4 124.0 44.2 92.5 22.6 40 40 A L > + 0 0 2 -2,-0.5 4,-1.6 52,-0.3 5,-0.1 0.045 59.3 103.3-103.9 23.1 40.8 91.1 21.5 41 41 A T T 4 S+ 0 0 61 2,-0.2 -1,-0.2 3,-0.1 4,-0.2 0.716 84.2 43.6 -76.8 -21.8 41.1 92.8 18.1 42 42 A A T > S+ 0 0 70 -3,-0.4 4,-0.9 2,-0.1 3,-0.4 0.920 117.5 40.7 -87.1 -54.5 42.1 89.5 16.4 43 43 A P H >> S+ 0 0 16 0, 0.0 4,-2.0 0, 0.0 3,-1.1 0.918 114.6 52.7 -60.8 -45.2 39.5 87.1 18.1 44 44 A V H 3X S+ 0 0 7 -4,-1.6 4,-1.4 1,-0.3 -3,-0.1 0.750 104.5 57.6 -63.2 -23.4 36.7 89.7 17.8 45 45 A A H 3> S+ 0 0 50 -3,-0.4 4,-0.8 2,-0.2 -1,-0.3 0.750 105.6 52.1 -76.9 -24.0 37.6 89.9 14.1 46 46 A A H XX S+ 0 0 38 -3,-1.1 4,-3.4 -4,-0.9 3,-0.8 0.962 108.9 45.3 -74.7 -55.9 36.9 86.2 13.9 47 47 A V H 3X S+ 0 0 1 -4,-2.0 4,-2.9 1,-0.3 5,-0.2 0.850 110.1 57.4 -56.5 -35.3 33.5 86.2 15.5 48 48 A Q H 3X S+ 0 0 88 -4,-1.4 4,-0.9 -5,-0.2 -1,-0.3 0.844 112.2 41.0 -64.5 -33.3 32.6 89.1 13.3 49 49 A A H X S+ 0 0 8 -4,-2.9 4,-3.4 1,-0.2 3,-0.6 0.952 112.1 52.1 -57.9 -52.1 23.5 81.1 5.2 58 58 A G H 3X S+ 0 0 0 -4,-2.7 4,-1.9 1,-0.3 -1,-0.2 0.870 107.2 54.9 -52.0 -38.8 20.4 82.1 7.2 59 59 A K H 3X S+ 0 0 122 -4,-2.5 4,-1.5 -5,-0.2 -1,-0.3 0.879 111.3 43.4 -63.6 -38.2 19.7 84.6 4.4 60 60 A E H - 0 0 11 1,-0.2 4,-1.8 2,-0.1 5,-0.1 -0.596 53.5-164.8 -72.6 111.5 8.1 77.7 5.1 68 68 A Q H > S+ 0 0 118 -2,-0.7 4,-1.1 2,-0.2 -1,-0.2 0.813 87.4 55.0 -67.7 -31.7 6.5 81.2 5.5 69 69 A I H > S+ 0 0 45 2,-0.2 4,-1.2 1,-0.2 3,-0.5 0.927 111.1 42.7 -68.0 -45.5 6.9 81.1 9.3 70 70 A L H > S+ 0 0 2 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.850 109.0 62.1 -67.6 -32.6 10.7 80.5 9.0 71 71 A K H < S+ 0 0 59 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.804 114.9 31.2 -61.3 -32.3 10.7 83.1 6.2 72 72 A R H < S+ 0 0 94 -4,-1.1 -1,-0.2 -3,-0.5 -2,-0.2 0.507 119.2 51.6-106.2 -7.8 9.5 85.7 8.7 73 73 A D H X S+ 0 0 18 -4,-1.2 4,-0.8 -3,-0.1 -3,-0.2 0.678 101.6 58.9-101.3 -22.2 11.1 84.5 11.9 74 74 A M H >X S+ 0 0 0 -4,-1.8 4,-1.4 -5,-0.2 3,-0.8 0.951 91.0 66.2 -71.8 -52.8 14.7 84.1 10.8 75 75 A P H 3> S+ 0 0 44 0, 0.0 4,-1.9 0, 0.0 3,-0.4 0.827 101.5 49.6 -37.8 -50.7 15.5 87.7 9.6 76 76 A P H 3> S+ 0 0 70 0, 0.0 4,-3.1 0, 0.0 -2,-0.2 0.907 103.5 58.6 -60.7 -42.7 15.2 89.1 13.1 77 77 A A H < - 0 0 62 -4,-2.3 3,-1.6 -5,-0.2 -1,-0.3 -0.934 61.1-162.1-121.8 109.9 41.8 100.9 28.4 99 99 A P T 3 S+ 0 0 42 0, 0.0 -62,-0.7 0, 0.0 -4,-0.1 0.270 92.8 53.4 -70.4 12.4 42.3 97.2 29.5 100 100 A Y T 3 S+ 0 0 136 -64,-0.2 -5,-0.1 -5,-0.1 2,-0.1 0.395 70.2 137.0-126.8 -2.5 40.4 98.1 32.7 101 101 A S <> - 0 0 20 -3,-1.6 4,-1.0 -7,-0.3 5,-0.1 -0.274 36.0-164.4 -53.7 120.3 37.2 99.7 31.3 102 102 A V H > S+ 0 0 68 2,-0.2 4,-0.8 1,-0.2 -1,-0.2 0.748 91.2 52.8 -78.6 -24.7 34.2 98.4 33.3 103 103 A P H > S+ 0 0 61 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.798 103.0 58.3 -79.8 -24.9 31.7 99.6 30.7 104 104 A A H > S+ 0 0 0 1,-0.2 4,-3.0 2,-0.2 -2,-0.2 0.868 105.4 50.2 -67.4 -34.9 33.7 97.7 28.1 105 105 A R H X S+ 0 0 1 -4,-1.0 4,-1.3 2,-0.2 -1,-0.2 0.782 105.3 58.1 -72.1 -27.0 33.1 94.6 30.1 106 106 A D H X S+ 0 0 85 -4,-0.8 4,-2.9 2,-0.2 -2,-0.2 0.924 113.4 37.4 -66.9 -44.9 29.4 95.6 30.1 107 107 A Y H X S+ 0 0 90 -4,-2.0 4,-3.0 2,-0.2 5,-0.3 0.901 111.5 59.8 -71.2 -43.3 29.4 95.6 26.3 108 108 A L H X S+ 0 0 1 -4,-3.0 4,-0.8 1,-0.2 -1,-0.2 0.797 115.7 36.3 -54.4 -30.1 31.7 92.6 26.3 109 109 A I H X S+ 0 0 16 -4,-1.3 4,-2.2 2,-0.2 5,-0.2 0.899 115.5 49.7 -89.8 -51.2 29.0 90.7 28.2 110 110 A D H X S+ 0 0 83 -4,-2.9 4,-1.4 1,-0.2 -2,-0.2 0.856 114.5 49.4 -56.5 -35.5 25.8 92.2 26.7 111 111 A G H X S+ 0 0 0 -4,-3.0 4,-2.4 2,-0.2 -1,-0.2 0.898 107.2 51.6 -71.3 -44.2 27.3 91.4 23.2 112 112 A S H X S+ 0 0 0 -4,-0.8 4,-2.5 -5,-0.3 -2,-0.2 0.876 111.8 48.4 -61.5 -37.6 28.3 87.8 24.0 113 113 A R H X S+ 0 0 123 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.852 109.7 52.4 -72.6 -30.9 24.7 87.2 25.2 114 114 A G H X S+ 0 0 12 -4,-1.4 4,-2.7 -5,-0.2 -2,-0.2 0.877 111.9 45.8 -69.6 -38.6 23.4 88.8 22.1 115 115 A I H X S+ 0 0 2 -4,-2.4 4,-2.5 -31,-0.3 -2,-0.2 0.943 116.8 43.9 -68.7 -48.6 25.5 86.5 19.9 116 116 A L H X S+ 0 0 11 -4,-2.5 4,-1.5 2,-0.2 -2,-0.2 0.865 117.7 46.0 -64.6 -37.9 24.6 83.4 21.9 117 117 A S H X S+ 0 0 15 -4,-2.5 4,-2.7 2,-0.2 5,-0.2 0.961 113.5 47.1 -69.6 -52.3 20.9 84.4 22.0 118 118 A G H X S+ 0 0 0 -4,-2.7 4,-2.9 1,-0.2 -2,-0.2 0.896 111.6 51.8 -55.4 -43.6 20.7 85.3 18.3 119 119 A T H X S+ 0 0 2 -4,-2.5 4,-2.5 -5,-0.2 -1,-0.2 0.891 109.7 50.9 -61.2 -39.1 22.4 82.1 17.4 120 120 A S H X S+ 0 0 0 -4,-1.5 4,-3.4 2,-0.2 5,-0.3 0.961 111.1 45.9 -62.8 -53.4 19.9 80.2 19.5 121 121 A D H X S+ 0 0 42 -4,-2.7 4,-3.2 2,-0.2 5,-0.3 0.939 111.9 54.2 -54.0 -50.1 16.9 81.9 17.9 122 122 A L H X S+ 0 0 0 -4,-2.9 4,-2.2 -5,-0.2 -2,-0.2 0.948 116.0 36.1 -48.0 -61.6 18.5 81.2 14.5 123 123 A L H X S+ 0 0 0 -4,-2.5 4,-3.3 1,-0.2 5,-0.2 0.941 117.9 51.2 -59.5 -52.5 18.9 77.5 15.1 124 124 A L H X S+ 0 0 13 -4,-3.4 4,-2.3 -5,-0.2 -1,-0.2 0.861 111.1 48.3 -54.8 -41.7 15.7 77.1 17.1 125 125 A T H X S+ 0 0 8 -4,-3.2 4,-1.1 -5,-0.3 -1,-0.2 0.946 113.8 46.8 -65.0 -48.0 13.6 78.8 14.4 126 126 A F H >X S+ 0 0 7 -4,-2.2 4,-1.1 -5,-0.3 3,-0.9 0.947 112.7 49.7 -57.2 -52.4 15.2 76.7 11.6 127 127 A D H >X S+ 0 0 4 -4,-3.3 4,-1.8 1,-0.3 3,-0.8 0.895 104.4 57.6 -54.8 -46.8 14.7 73.5 13.6 128 128 A E H 3X S+ 0 0 9 -4,-2.3 4,-1.0 1,-0.3 -1,-0.3 0.785 103.6 54.5 -57.3 -28.3 11.1 74.2 14.3 129 129 A A H X S+ 0 0 143 -4,-1.2 3,-0.9 1,-0.2 4,-0.7 0.948 111.5 46.8 -61.1 -54.3 -4.7 60.7 5.3 144 144 A Y H >X S+ 0 0 61 -4,-2.1 3,-0.8 1,-0.2 4,-0.5 0.805 99.6 69.6 -60.7 -31.9 -3.7 57.6 3.4 145 145 A L H >< S+ 0 0 0 -4,-2.3 3,-1.5 1,-0.3 -1,-0.2 0.893 97.1 52.6 -53.8 -40.9 -4.6 55.4 6.4 146 146 A T H X< S+ 0 0 78 -4,-0.9 3,-2.0 -3,-0.9 -1,-0.3 0.796 95.4 68.8 -65.9 -28.3 -8.2 56.2 5.7 147 147 A V H X< S+ 0 0 52 -3,-0.8 3,-1.5 -4,-0.7 -1,-0.3 0.680 82.1 76.7 -64.0 -15.5 -7.7 55.1 2.1 148 148 A A T << S+ 0 0 0 -3,-1.5 -1,-0.3 -4,-0.5 3,-0.2 0.551 82.9 66.7 -71.5 -6.8 -7.4 51.6 3.5 149 149 A E T < S+ 0 0 64 -3,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.477 98.3 49.6 -93.4 -3.1 -11.2 51.6 3.9 150 150 A V S < S+ 0 0 98 -3,-1.5 2,-0.7 -4,-0.1 -1,-0.2 0.356 78.4 115.5-113.0 1.1 -11.8 51.6 0.2 151 151 A V + 0 0 7 -4,-0.3 62,-0.1 -3,-0.2 3,-0.0 -0.635 28.9 158.4 -75.2 110.5 -9.4 48.8 -0.6 152 152 A E + 0 0 67 -2,-0.7 2,-0.3 60,-0.0 -1,-0.2 0.407 52.4 47.3-115.5 -0.5 -11.7 46.0 -2.0 153 153 A T S > S- 0 0 50 1,-0.1 4,-2.7 64,-0.0 5,-0.2 -0.940 79.1-113.3-140.9 163.4 -9.3 43.8 -4.0 154 154 A M H > S+ 0 0 7 -2,-0.3 4,-2.6 1,-0.2 5,-0.1 0.840 119.8 53.8 -61.0 -36.4 -5.9 42.1 -3.8 155 155 A E H > S+ 0 0 115 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.893 109.1 47.8 -66.4 -38.4 -4.7 44.4 -6.5 156 156 A D H > S+ 0 0 63 2,-0.2 4,-3.4 1,-0.2 -2,-0.2 0.919 110.9 51.6 -65.9 -44.5 -5.8 47.4 -4.4 157 157 A L H X S+ 0 0 0 -4,-2.7 4,-2.9 2,-0.2 5,-0.3 0.917 108.1 52.1 -58.1 -44.8 -4.1 45.9 -1.4 158 158 A V H X S+ 0 0 15 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.950 113.6 43.9 -56.6 -50.3 -0.9 45.5 -3.4 159 159 A T H X S+ 0 0 75 -4,-2.2 4,-1.7 2,-0.2 -2,-0.2 0.960 113.4 50.6 -58.4 -55.9 -1.1 49.2 -4.4 160 160 A Y H >X S+ 0 0 2 -4,-3.4 4,-3.3 1,-0.2 3,-0.7 0.926 112.2 45.5 -49.1 -55.6 -1.9 50.4 -0.9 161 161 A T H 3X S+ 0 0 5 -4,-2.9 4,-2.4 1,-0.3 -1,-0.2 0.896 109.4 56.8 -57.4 -41.1 0.9 48.5 0.8 162 162 A K H 3< S+ 0 0 92 -4,-2.2 -1,-0.3 -5,-0.3 -2,-0.2 0.822 116.3 36.5 -59.7 -32.9 3.3 49.7 -1.9 163 163 A N H S+ 0 0 72 0, 0.0 4,-2.6 0, 0.0 3,-0.4 0.950 119.2 40.8 -60.9 -56.1 7.4 54.3 1.8 167 167 A G H X S+ 0 0 24 -4,-1.3 4,-2.6 1,-0.3 5,-0.3 0.906 113.0 55.9 -60.7 -40.9 5.7 57.0 3.8 168 168 A M H X S+ 0 0 2 -4,-3.7 4,-0.6 -5,-0.3 -1,-0.3 0.813 111.3 46.6 -59.3 -29.1 5.5 54.6 6.7 169 169 A T H X S+ 0 0 19 -4,-1.1 4,-2.1 -3,-0.4 -2,-0.2 0.884 110.1 50.7 -79.4 -44.5 9.2 54.4 6.3 170 170 A K H X S+ 0 0 118 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.934 111.9 45.3 -60.8 -50.8 9.9 58.1 6.0 171 171 A M H X S+ 0 0 0 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.778 111.5 55.5 -65.7 -25.5 8.0 59.1 9.1 172 172 A A H X S+ 0 0 8 -4,-0.6 4,-1.1 -5,-0.3 -1,-0.2 0.901 110.8 43.4 -71.9 -41.3 9.7 56.2 10.9 173 173 A K H X S+ 0 0 103 -4,-2.1 4,-1.6 2,-0.2 -2,-0.2 0.822 114.5 50.9 -72.3 -32.9 13.2 57.5 10.0 174 174 A M H X S+ 0 0 28 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.882 109.2 49.1 -72.7 -39.5 12.1 61.1 10.8 175 175 A I H X S+ 0 0 3 -4,-2.0 4,-2.7 2,-0.2 -1,-0.2 0.790 106.5 60.3 -70.1 -26.6 10.8 60.1 14.3 176 176 A D H X S+ 0 0 87 -4,-1.1 4,-0.9 2,-0.2 -2,-0.2 0.966 110.9 36.1 -64.8 -55.2 14.0 58.3 14.9 177 177 A E H >X S+ 0 0 116 -4,-1.6 4,-1.4 2,-0.2 3,-0.6 0.922 116.8 59.6 -62.5 -42.1 16.3 61.3 14.5 178 178 A R H >X S+ 0 0 23 -4,-2.2 3,-1.5 1,-0.2 4,-1.0 0.958 100.9 48.7 -50.0 -69.0 13.6 63.3 16.2 179 179 A Q H 3< S+ 0 0 23 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.742 107.8 59.5 -47.4 -26.3 13.4 61.4 19.5 180 180 A Q H << S+ 0 0 93 -4,-0.9 -1,-0.3 -3,-0.6 -2,-0.2 0.876 104.1 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T T 3< S+ 0 0 22 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.310 120.9 31.2 -86.4 9.4 7.8 70.6 21.7 252 252 A S S < S+ 0 0 13 -3,-0.8 -1,-0.2 -5,-0.2 2,-0.2 -0.625 70.5 110.4-174.6 107.7 7.8 73.2 18.8 253 253 A W - 0 0 142 -3,-0.2 -4,-0.0 -2,-0.2 -1,-0.0 -0.628 39.1-167.8-177.8 103.1 5.3 76.0 18.3 254 254 A D - 0 0 80 -2,-0.2 -129,-0.0 -129,-0.1 -126,-0.0 0.214 27.9-130.2-101.8 19.8 6.9 79.4 18.9 255 255 A E S S+ 0 0 102 1,-0.2 3,-0.1 2,-0.0 -1,-0.0 0.538 85.7 98.0 45.9 22.2 3.8 81.6 19.1 256 256 A D S S+ 0 0 96 1,-0.1 -1,-0.2 2,-0.1 0, 0.0 0.422 72.8 72.5-103.2 3.0 4.9 84.3 16.8 257 257 A A 0 0 51 1,-0.2 -1,-0.1 -184,-0.0 -2,-0.0 0.502 360.0 360.0 -93.9 -8.9 2.9 82.5 14.1 258 258 A W 0 0 214 -3,-0.1 -1,-0.2 0, 0.0 -2,-0.1 0.946 360.0 360.0 -50.9 360.0 -0.6 83.3 15.2 259 !* 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 0.0 260 563 B N 0 0 84 0, 0.0 3,-0.4 0, 0.0 4,-0.4 0.000 360.0 360.0 360.0 -57.9 20.6 74.2 5.7 261 564 B H + 0 0 130 1,-0.2 4,-0.1 2,-0.2 0, 0.0 0.223 360.0 66.9 -84.5 15.6 22.3 71.6 7.7 262 565 B A S >>>S+ 0 0 33 2,-0.2 4,-2.1 3,-0.1 3,-1.5 0.693 75.3 77.3-102.1 -36.4 25.1 74.1 7.4 263 566 B I H 3>5S+ 0 0 0 -3,-0.4 4,-1.6 1,-0.3 -2,-0.2 0.853 97.5 50.7 -41.3 -35.0 23.4 76.7 9.5 264 567 B Y H 3>5S+ 0 0 23 -4,-0.4 4,-1.2 2,-0.2 -1,-0.3 0.812 107.4 54.6 -73.9 -29.8 24.5 74.4 12.2 265 568 B E H X>5S+ 0 0 78 -3,-1.5 4,-1.3 2,-0.2 3,-1.0 0.986 111.9 40.0 -65.6 -60.0 28.0 74.5 10.7 266 569 B K H 3X5S+ 0 0 40 -4,-2.1 4,-2.1 1,-0.3 -212,-0.3 0.813 111.2 60.8 -59.2 -30.8 28.3 78.3 10.8 267 570 B A H 3X S+ 0 0 22 -4,-0.5 4,-2.8 2,-0.2 5,-0.2 0.962 106.2 47.8 -67.7 -53.6 34.5 81.0 22.8 276 579 B K H X S+ 0 0 109 -4,-2.5 4,-0.7 1,-0.2 -2,-0.2 0.922 113.6 49.6 -53.6 -46.1 38.1 82.0 21.9 277 580 B V H >< S+ 0 0 0 -4,-2.5 3,-0.9 1,-0.2 -1,-0.2 0.929 112.0 47.9 -58.7 -47.4 37.3 85.6 22.7 278 581 B L H >< S+ 0 0 2 -4,-2.2 3,-1.2 1,-0.2 -1,-0.2 0.876 111.0 50.0 -62.2 -40.6 35.7 84.7 26.0 279 582 B S H 3< S+ 0 0 57 -4,-2.8 -1,-0.2 1,-0.3 3,-0.2 0.552 96.8 70.1 -77.4 -6.4 38.7 82.5 27.0 280 583 B K T << S+ 0 0 74 -3,-0.9 -1,-0.3 -4,-0.7 -2,-0.2 0.371 102.4 45.8 -88.4 4.2 41.1 85.4 26.1 281 584 B I S < S+ 0 0 15 -3,-1.2 2,-0.4 -244,-0.1 3,-0.2 0.326 97.5 91.8-120.2 -4.2 39.7 87.1 29.2 282 585 B D + 0 0 104 -3,-0.2 -263,-0.0 1,-0.1 -3,-0.0 -0.816 41.9 103.5 -98.0 131.4 39.9 83.9 31.3 283 586 B D 0 0 86 -2,-0.4 -1,-0.1 -3,-0.0 -4,-0.0 0.161 360.0 360.0-167.0 -57.9 43.1 83.4 33.3 284 587 B T 0 0 142 -3,-0.2 -2,-0.0 0, 0.0 -3,-0.0 0.084 360.0 360.0-175.2 360.0 42.8 84.1 37.1 285 !* 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 0.0 286 567 D Y > 0 0 170 0, 0.0 3,-0.8 0, 0.0 4,-0.5 0.000 360.0 360.0 360.0 148.7 -3.1 35.3 -8.3 287 568 D E T 3> + 0 0 122 1,-0.2 4,-4.1 2,-0.2 5,-0.3 0.496 360.0 100.5 -72.2 -1.2 0.4 36.3 -7.2 288 569 D K H 3> S+ 0 0 72 1,-0.2 4,-3.1 2,-0.2 -1,-0.2 0.928 82.7 40.3 -48.6 -56.6 -1.6 39.2 -5.8 289 570 D A H <> S+ 0 0 24 -3,-0.8 4,-1.6 1,-0.2 -1,-0.2 0.852 117.6 50.9 -63.5 -34.0 -1.6 37.8 -2.2 290 571 D K H > S+ 0 0 108 -4,-0.5 4,-2.5 2,-0.2 -2,-0.2 0.886 113.6 43.9 -70.0 -39.9 2.0 36.8 -2.7 291 572 D E H X S+ 0 0 43 -4,-4.1 4,-3.5 2,-0.2 5,-0.3 0.914 108.1 57.1 -71.5 -44.5 3.0 40.2 -3.9 292 573 D V H X S+ 0 0 1 -4,-3.1 4,-1.8 -5,-0.3 -1,-0.2 0.907 113.6 41.8 -52.6 -43.9 1.0 42.1 -1.2 293 574 D S H X S+ 0 0 42 -4,-1.6 4,-2.8 2,-0.2 -2,-0.2 0.974 113.6 50.6 -67.1 -56.2 3.0 40.1 1.3 294 575 D S H X S+ 0 0 59 -4,-2.5 4,-2.2 1,-0.3 -2,-0.2 0.869 112.2 48.9 -49.3 -42.5 6.4 40.4 -0.5 295 576 D A H X S+ 0 0 5 -4,-3.5 4,-1.6 1,-0.2 -1,-0.3 0.889 111.0 48.9 -66.7 -40.8 5.8 44.2 -0.7 296 577 D L H X S+ 0 0 30 -4,-1.8 4,-2.8 -5,-0.3 -2,-0.2 0.861 109.7 54.0 -66.9 -35.6 4.9 44.5 3.0 297 578 D S H X S+ 0 0 64 -4,-2.8 4,-2.4 2,-0.2 5,-0.2 0.963 106.5 49.5 -62.7 -53.2 8.0 42.5 3.8 298 579 D K H X S+ 0 0 154 -4,-2.2 4,-1.1 1,-0.2 -1,-0.2 0.865 114.3 48.0 -54.0 -38.1 10.4 44.8 1.9 299 580 D V H X S+ 0 0 13 -4,-1.6 4,-3.1 2,-0.2 3,-0.5 0.948 109.1 50.0 -69.2 -50.9 8.7 47.7 3.7 300 581 D L H X S+ 0 0 59 -4,-2.8 4,-0.9 1,-0.3 -2,-0.2 0.847 107.6 55.8 -57.1 -35.6 8.9 46.2 7.2 301 582 D S H < S+ 0 0 77 -4,-2.4 -1,-0.3 2,-0.2 -2,-0.2 0.873 110.8 44.9 -64.7 -36.3 12.6 45.5 6.6 302 583 D K H < S+ 0 0 124 -4,-1.1 -2,-0.2 -3,-0.5 -1,-0.2 0.941 107.5 55.3 -71.8 -48.1 13.1 49.2 5.8 303 584 D I H < 0 0 21 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.735 360.0 360.0 -55.7 -19.6 11.0 50.3 8.8 304 585 D D < 0 0 171 -4,-0.9 -1,-0.3 -5,-0.3 -2,-0.2 0.875 360.0 360.0 -74.4 360.0 13.5 48.2 10.6