==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER APOPTOSIS 31-MAY-01 1GJH . COMPND 2 MOLECULE: PROTEIN (APOPTOSIS REGULATOR BCL-2 WITH PUTATIVE . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR A.M.PETROS,A.MEDEK,D.G.NETTESHEIM,D.H.KIM,H.S.YOON,K.SWIFT, . 164 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11796.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 124 75.6 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 . 1 0.6 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 . 14 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 22 13.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 84 51.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.8 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 0 1 0 0 0 0 1 0 1 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 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 3 A H 0 0 214 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-170.0 -6.7 14.3 16.4 2 4 A A - 0 0 82 1,-0.5 3,-0.3 0, 0.0 4,-0.2 -0.197 360.0 -82.4-179.1 74.5 -5.1 12.2 13.6 3 5 A G - 0 0 55 1,-0.2 -1,-0.5 2,-0.1 0, 0.0 0.107 43.1-106.0 48.0-168.6 -5.0 13.6 10.1 4 6 A R S S+ 0 0 163 -3,-0.1 -1,-0.2 0, 0.0 42,-0.1 -0.019 94.8 83.0-144.6 31.1 -8.1 13.2 7.9 5 7 A T S S- 0 0 42 -3,-0.3 42,-0.1 41,-0.1 -2,-0.1 0.833 82.5-131.5-101.7 -51.2 -7.0 10.5 5.4 6 8 A G - 0 0 52 -4,-0.2 -3,-0.1 1,-0.1 0, 0.0 0.767 26.4-163.7 100.4 33.5 -7.7 7.3 7.2 7 9 A Y - 0 0 68 4,-0.1 2,-0.3 1,-0.1 -1,-0.1 -0.105 7.3-173.1 -48.6 144.6 -4.4 5.5 6.6 8 10 A D >> - 0 0 89 1,-0.1 4,-2.9 2,-0.0 3,-0.8 -0.884 28.8-147.6-150.4 113.8 -4.6 1.7 7.3 9 11 A N H 3> S+ 0 0 27 -2,-0.3 4,-2.0 1,-0.3 5,-0.2 0.795 105.3 56.4 -47.5 -30.8 -1.7 -0.7 7.3 10 12 A R H 3> S+ 0 0 168 2,-0.2 4,-1.8 1,-0.2 -1,-0.3 0.917 110.5 41.0 -69.4 -44.4 -4.2 -3.3 6.0 11 13 A E H <> S+ 0 0 113 -3,-0.8 4,-2.7 2,-0.2 5,-0.3 0.895 112.5 55.8 -70.4 -41.2 -5.2 -1.1 3.0 12 14 A I H X S+ 0 0 8 -4,-2.9 4,-2.2 1,-0.2 -2,-0.2 0.943 112.7 40.4 -56.2 -52.1 -1.6 -0.1 2.3 13 15 A V H X S+ 0 0 0 -4,-2.0 4,-3.1 -5,-0.2 5,-0.4 0.874 112.4 57.4 -65.6 -38.1 -0.4 -3.7 2.1 14 16 A M H X S+ 0 0 40 -4,-1.8 4,-2.5 -5,-0.2 -2,-0.2 0.945 110.7 41.7 -57.7 -51.2 -3.5 -4.7 0.2 15 17 A K H X S+ 0 0 66 -4,-2.7 4,-1.9 2,-0.2 5,-0.2 0.919 117.9 47.6 -63.3 -45.2 -2.9 -2.2 -2.6 16 18 A Y H X S+ 0 0 4 -4,-2.2 4,-1.8 -5,-0.3 -2,-0.2 0.985 115.5 42.3 -59.8 -61.7 0.8 -2.9 -2.7 17 19 A I H X S+ 0 0 0 -4,-3.1 4,-1.3 1,-0.2 -1,-0.2 0.899 109.2 62.7 -51.6 -45.5 0.5 -6.7 -2.8 18 20 A H H >X S+ 0 0 92 -4,-2.5 4,-3.0 -5,-0.4 3,-2.3 0.943 104.0 44.1 -44.8 -66.2 -2.4 -6.4 -5.2 19 21 A Y H 3X S+ 0 0 47 -4,-1.9 4,-1.8 1,-0.3 -1,-0.3 0.862 107.6 62.1 -49.1 -38.3 -0.3 -4.7 -8.0 20 22 A K H 3< S+ 0 0 28 -4,-1.8 -1,-0.3 -5,-0.2 4,-0.3 0.808 113.3 35.5 -58.9 -29.2 2.4 -7.4 -7.2 21 23 A L H XX>S+ 0 0 0 -3,-2.3 4,-2.2 -4,-1.3 3,-1.9 0.882 110.1 59.7 -89.9 -47.0 -0.2 -10.0 -8.2 22 24 A S H 3<5S+ 0 0 72 -4,-3.0 -2,-0.2 1,-0.3 -3,-0.2 0.769 91.0 75.0 -52.7 -25.7 -1.8 -8.0 -11.1 23 25 A Q T 3<5S+ 0 0 138 -4,-1.8 -1,-0.3 -5,-0.3 -2,-0.2 0.905 109.4 28.0 -53.9 -42.7 1.7 -7.9 -12.6 24 26 A R T <45S- 0 0 138 -3,-1.9 -2,-0.2 -4,-0.3 -1,-0.2 0.893 116.2-111.0 -85.1 -46.3 1.2 -11.6 -13.5 25 27 A G T <5 + 0 0 48 -4,-2.2 2,-0.7 1,-0.2 -3,-0.2 0.343 62.3 147.2 129.6 -2.9 -2.6 -11.5 -13.8 26 28 A Y < - 0 0 56 -5,-0.9 2,-2.0 1,-0.1 -1,-0.2 -0.522 49.4-133.2 -68.5 109.3 -3.8 -13.6 -10.9 27 29 A E - 0 0 170 -2,-0.7 2,-0.2 -5,-0.1 -1,-0.1 -0.429 23.4-150.2 -66.4 84.0 -7.1 -12.1 -9.8 28 30 A W - 0 0 19 -2,-2.0 2,-1.6 -10,-0.2 3,-0.4 -0.375 6.6-141.3 -59.9 124.5 -6.4 -12.0 -6.1 29 31 A D + 0 0 109 1,-0.2 3,-0.4 -2,-0.2 -1,-0.1 -0.393 53.3 137.3 -86.4 59.3 -9.6 -12.3 -4.2 30 32 A A + 0 0 26 -2,-1.6 2,-1.7 1,-0.2 3,-0.2 0.963 66.0 51.0 -68.9 -54.2 -8.7 -9.7 -1.5 31 33 A G + 0 0 59 -3,-0.4 -1,-0.2 1,-0.2 -2,-0.0 -0.484 64.0 167.6 -86.3 68.9 -12.0 -7.9 -1.3 32 34 A D + 0 0 131 -2,-1.7 2,-2.1 -3,-0.4 -1,-0.2 0.814 64.1 80.0 -49.6 -32.3 -14.2 -11.0 -0.9 33 35 A D + 0 0 100 -3,-0.2 2,-1.3 1,-0.1 -1,-0.2 -0.500 57.2 165.7 -79.6 74.6 -16.9 -8.5 0.0 34 36 A V + 0 0 131 -2,-2.1 -1,-0.1 1,-0.2 -2,-0.1 -0.359 31.9 120.5 -88.3 55.6 -17.8 -7.5 -3.6 35 37 A E S S- 0 0 127 -2,-1.3 -1,-0.2 2,-0.0 -2,-0.1 -0.168 88.6 -98.5-110.4 37.8 -21.1 -5.8 -2.6 36 38 A E - 0 0 139 1,-0.2 2,-0.9 -3,-0.0 -2,-0.1 0.939 44.2-163.6 43.5 85.9 -20.2 -2.4 -4.0 37 39 A N + 0 0 124 -4,-0.2 2,-0.4 1,-0.1 -1,-0.2 -0.778 23.6 159.6-102.2 91.0 -19.0 -0.6 -0.8 38 40 A R + 0 0 171 -2,-0.9 3,-0.1 1,-0.2 -1,-0.1 -0.442 12.0 149.9-108.0 57.1 -19.0 3.1 -1.7 39 41 A T S S- 0 0 116 -2,-0.4 -1,-0.2 1,-0.2 -2,-0.0 0.972 86.6 -4.3 -49.9 -78.0 -19.1 4.5 1.9 40 42 A E S S- 0 0 181 1,-0.3 -1,-0.2 -3,-0.2 -2,-0.1 -0.076 115.9 -95.6-110.4 32.0 -17.3 7.8 1.4 41 43 A A - 0 0 59 1,-0.1 -1,-0.3 -3,-0.1 -2,-0.1 0.366 32.0 -96.1 68.8 151.4 -16.4 7.2 -2.3 42 44 A P S S+ 0 0 121 0, 0.0 -1,-0.1 0, 0.0 -4,-0.0 0.764 87.0 116.8 -71.6 -26.5 -13.1 5.7 -3.5 43 45 A E + 0 0 157 1,-0.1 3,-0.1 2,-0.1 -3,-0.0 -0.218 28.0 150.4 -47.7 115.5 -11.7 9.2 -4.2 44 46 A G > + 0 0 22 2,-0.1 4,-0.9 1,-0.1 3,-0.2 -0.233 8.3 158.1-148.8 52.8 -8.7 9.5 -1.8 45 47 A T H > S+ 0 0 102 1,-0.2 4,-1.6 2,-0.2 3,-0.4 0.800 73.0 69.4 -47.4 -31.6 -6.1 11.8 -3.3 46 48 A E H 4 S+ 0 0 98 1,-0.2 4,-0.5 2,-0.2 3,-0.5 0.977 111.2 24.5 -51.0 -73.2 -4.9 12.3 0.2 47 49 A S H > S+ 0 0 26 -3,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.357 111.2 78.3 -77.9 7.4 -3.4 8.8 0.8 48 50 A E H X S+ 0 0 90 -4,-0.9 4,-2.1 -3,-0.4 5,-0.3 0.935 86.0 55.9 -79.1 -48.7 -3.0 8.4 -3.0 49 92 A V H X S+ 0 0 69 -4,-1.6 4,-0.7 -3,-0.5 -1,-0.2 0.819 110.5 48.6 -50.4 -33.7 0.2 10.5 -3.2 50 93 A V H > S+ 0 0 4 -4,-0.5 4,-3.0 2,-0.2 -1,-0.2 0.901 106.9 54.3 -75.1 -43.6 1.6 8.1 -0.5 51 94 A H H X S+ 0 0 16 -4,-1.4 4,-2.6 1,-0.2 5,-0.5 0.970 105.7 50.9 -54.1 -60.6 0.6 4.9 -2.3 52 95 A L H X S+ 0 0 80 -4,-2.1 4,-1.2 1,-0.2 5,-0.4 0.807 114.6 48.2 -48.0 -32.4 2.3 5.8 -5.6 53 96 A T H X S+ 0 0 4 -4,-0.7 4,-3.2 -5,-0.3 5,-0.4 0.971 115.7 39.3 -74.3 -57.6 5.4 6.5 -3.4 54 97 A L H X S+ 0 0 11 -4,-3.0 4,-3.1 3,-0.2 5,-0.3 0.973 121.0 43.6 -56.4 -60.3 5.4 3.3 -1.3 55 98 A R H X S+ 0 0 97 -4,-2.6 4,-1.9 -5,-0.2 5,-0.2 0.948 123.2 37.5 -50.6 -57.5 4.4 1.0 -4.1 56 99 A Q H X S+ 0 0 125 -4,-1.2 4,-1.8 -5,-0.5 -2,-0.2 0.982 120.3 45.5 -59.7 -61.3 6.8 2.6 -6.6 57 100 A A H >X S+ 0 0 23 -4,-3.2 4,-2.2 -5,-0.4 3,-1.0 0.939 111.2 52.5 -46.9 -61.1 9.6 3.3 -4.2 58 101 A G H 3X S+ 0 0 2 -4,-3.1 4,-1.9 -5,-0.4 5,-0.2 0.888 110.7 46.7 -44.5 -50.7 9.4 -0.2 -2.6 59 102 A D H 3X S+ 0 0 66 -4,-1.9 4,-1.5 -5,-0.3 -1,-0.3 0.804 109.6 57.3 -63.9 -27.9 9.7 -1.9 -6.0 60 103 A D H X S+ 0 0 53 -4,-2.2 3,-1.8 2,-0.2 4,-0.8 0.984 110.7 48.2 -60.3 -61.7 14.6 -0.7 -3.8 62 105 A S H >< S+ 0 0 36 -4,-1.9 3,-1.3 1,-0.3 -1,-0.2 0.857 106.3 60.3 -47.7 -39.5 14.2 -4.4 -4.3 63 106 A R H 3< S+ 0 0 187 -4,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.848 101.9 52.7 -58.5 -34.4 15.2 -3.8 -7.9 64 107 A R H << S+ 0 0 202 -3,-1.8 2,-0.7 -4,-1.1 -1,-0.3 0.652 104.2 64.0 -75.9 -15.9 18.5 -2.4 -6.6 65 108 A Y << + 0 0 87 -3,-1.3 4,-0.3 -4,-0.8 3,-0.3 -0.857 53.4 165.7-114.7 97.6 19.0 -5.6 -4.6 66 109 A R S S+ 0 0 216 -2,-0.7 2,-0.6 1,-0.3 5,-0.3 0.903 78.7 31.8 -74.5 -43.4 19.4 -8.6 -6.9 67 110 A R S S+ 0 0 194 3,-0.1 -1,-0.3 1,-0.1 0, 0.0 -0.878 102.2 65.4-121.6 99.2 20.7 -10.9 -4.2 68 111 A D S S+ 0 0 90 -2,-0.6 -1,-0.1 -3,-0.3 -2,-0.1 0.119 107.2 24.6-172.9 -50.2 19.4 -10.1 -0.7 69 112 A F S > S+ 0 0 30 -4,-0.3 4,-0.7 -7,-0.1 -2,-0.1 0.721 128.8 40.6-102.6 -30.8 15.7 -10.8 -0.4 70 113 A A H >> S+ 0 0 58 -4,-0.2 4,-0.9 -5,-0.2 3,-0.6 0.939 110.9 53.2 -82.5 -54.2 15.3 -13.4 -3.2 71 114 A E H 34 S+ 0 0 140 -5,-0.3 3,-0.3 1,-0.3 -1,-0.1 0.811 112.8 48.6 -50.9 -31.6 18.5 -15.4 -2.6 72 115 A M H >4 S+ 0 0 79 1,-0.2 3,-2.9 2,-0.2 -1,-0.3 0.819 92.9 74.8 -78.7 -32.7 17.3 -15.8 1.0 73 116 A S H << S+ 0 0 16 -4,-0.7 3,-0.3 -3,-0.6 -1,-0.2 0.809 78.0 78.0 -49.0 -31.8 13.8 -16.8 -0.1 74 117 A S T 3< S+ 0 0 113 -4,-0.9 2,-1.2 -3,-0.3 -1,-0.3 0.810 83.7 66.0 -48.6 -32.0 15.3 -20.1 -1.0 75 118 A Q S < S+ 0 0 168 -3,-2.9 -1,-0.3 -4,-0.1 2,-0.2 -0.397 79.1 97.1 -90.6 57.8 15.3 -20.8 2.8 76 119 A L - 0 0 26 -2,-1.2 -1,-0.1 -3,-0.3 -3,-0.0 -0.648 66.2-145.1-148.3 85.4 11.5 -20.9 3.0 77 120 A H - 0 0 158 -2,-0.2 2,-0.9 1,-0.1 9,-0.1 -0.181 16.2-132.1 -51.0 137.5 9.8 -24.3 2.9 78 121 A L + 0 0 51 2,-0.1 -1,-0.1 39,-0.0 5,-0.0 -0.826 55.8 114.8-100.3 101.5 6.5 -24.2 1.1 79 122 A T S S- 0 0 60 -2,-0.9 2,-3.1 2,-0.2 39,-0.0 -0.979 76.3 -95.8-162.9 152.1 3.8 -26.1 3.2 80 123 A P S S+ 0 0 116 0, 0.0 2,-0.3 0, 0.0 -2,-0.1 -0.311 98.6 65.5 -70.2 62.7 0.6 -25.4 5.1 81 124 A F S S+ 0 0 157 -2,-3.1 -2,-0.2 0, 0.0 0, 0.0 -0.904 94.7 15.6-177.7 149.4 2.4 -25.0 8.4 82 125 A T S > S+ 0 0 81 -2,-0.3 4,-0.9 1,-0.1 5,-0.1 0.802 79.1 134.9 48.5 31.0 4.9 -22.8 10.2 83 126 A A H > S+ 0 0 31 2,-0.2 4,-1.1 1,-0.2 3,-0.1 0.921 73.6 35.8 -73.7 -46.0 4.2 -20.3 7.5 84 127 A R H > S+ 0 0 136 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.814 110.8 63.3 -76.8 -31.8 3.8 -17.3 9.9 85 128 A G H > S+ 0 0 54 1,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.821 107.5 42.9 -62.3 -31.3 6.6 -18.6 12.2 86 129 A R H X S+ 0 0 114 -4,-0.9 4,-1.1 2,-0.2 -1,-0.2 0.798 111.1 55.2 -83.7 -31.7 9.1 -18.2 9.3 87 130 A F H >X S+ 0 0 11 -4,-1.1 4,-2.2 1,-0.2 3,-0.5 0.929 104.7 52.5 -66.7 -46.7 7.8 -14.9 8.2 88 131 A A H 3X S+ 0 0 38 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.881 105.3 56.0 -57.0 -40.5 8.2 -13.3 11.6 89 132 A T H 3X S+ 0 0 88 -4,-0.8 4,-1.4 -5,-0.2 -1,-0.2 0.844 108.6 48.6 -61.4 -34.6 11.8 -14.4 11.8 90 133 A V H < S+ 0 0 126 -4,-1.4 3,-1.0 -3,-0.2 -1,-0.2 0.844 105.5 62.6 -68.5 -33.7 15.9 -9.6 11.4 94 137 A L H 3< S+ 0 0 27 -4,-1.5 2,-0.5 1,-0.3 -2,-0.2 0.936 115.7 29.8 -56.3 -49.5 14.9 -6.7 9.2 95 138 A F T 3< S+ 0 0 16 -4,-1.8 -1,-0.3 1,-0.2 4,-0.1 -0.561 78.6 136.1-112.2 66.2 14.3 -4.4 12.2 96 139 A R S < S+ 0 0 181 -3,-1.0 -1,-0.2 -2,-0.5 -2,-0.1 0.979 82.8 12.0 -73.9 -60.8 16.7 -5.8 14.8 97 140 A D S S- 0 0 164 1,-0.3 2,-0.3 -4,-0.2 -2,-0.1 0.965 131.3 -18.9 -80.9 -74.8 18.2 -2.6 16.2 98 141 A G - 0 0 41 2,-0.0 -1,-0.3 0, 0.0 2,-0.2 -0.859 61.6-113.6-134.4 169.1 16.0 0.2 15.0 99 142 A V + 0 0 26 -2,-0.3 2,-0.3 -4,-0.1 3,-0.1 -0.670 33.1 161.7-103.1 159.2 13.4 1.0 12.2 100 143 A N > - 0 0 86 -2,-0.2 4,-3.1 1,-0.2 5,-0.2 -0.970 51.8 -93.4-167.0 160.7 13.7 3.4 9.3 101 144 A W H > S+ 0 0 16 -2,-0.3 4,-3.2 1,-0.2 5,-0.3 0.937 123.1 51.1 -45.4 -61.6 12.0 4.1 5.9 102 145 A G H > S+ 0 0 32 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.889 113.9 45.5 -43.6 -49.0 14.5 2.0 4.0 103 146 A R H >> S+ 0 0 108 2,-0.2 4,-2.0 1,-0.2 3,-1.3 0.971 111.2 51.1 -60.1 -56.3 13.9 -0.9 6.4 104 147 A I H 3X S+ 0 0 1 -4,-3.1 4,-2.1 1,-0.3 -2,-0.2 0.904 109.7 50.9 -47.2 -48.3 10.1 -0.5 6.3 105 148 A V H 3X S+ 0 0 12 -4,-3.2 4,-1.5 -5,-0.2 -1,-0.3 0.785 109.4 54.4 -62.0 -26.9 10.3 -0.5 2.5 106 149 A A H XX S+ 0 0 7 -3,-1.3 4,-2.4 -4,-1.2 3,-0.5 0.992 107.8 43.7 -70.4 -64.2 12.3 -3.7 2.7 107 150 A F H 3X S+ 0 0 0 -4,-2.0 4,-3.0 1,-0.3 5,-0.2 0.867 111.2 59.0 -48.8 -39.7 10.0 -5.8 4.8 108 151 A F H 3X S+ 0 0 2 -4,-2.1 4,-1.4 -5,-0.3 -1,-0.3 0.937 108.0 43.4 -55.7 -49.8 7.2 -4.5 2.6 109 152 A E H X S+ 0 0 27 -4,-2.7 4,-1.2 1,-0.2 3,-0.8 0.825 101.9 70.5 -76.9 -32.6 3.5 -14.7 -4.3 117 160 A E H >X S+ 0 0 38 -4,-1.3 3,-1.3 -5,-0.3 4,-1.0 0.914 95.2 53.9 -49.2 -48.5 5.6 -17.7 -3.3 118 161 A S H 3X>S+ 0 0 5 -4,-1.6 5,-1.9 1,-0.3 4,-0.9 0.852 105.9 53.8 -55.9 -35.2 2.4 -19.4 -2.1 119 162 A V H <<5S+ 0 0 38 -3,-0.8 -1,-0.3 -4,-0.6 -2,-0.2 0.724 94.7 72.8 -72.1 -21.7 1.0 -18.7 -5.6 120 163 A N H <<5S+ 0 0 140 -3,-1.3 -1,-0.2 -4,-1.2 -2,-0.2 0.970 114.9 16.1 -56.3 -58.7 4.0 -20.4 -7.1 121 164 A R H <5S- 0 0 194 -4,-1.0 -2,-0.1 -3,-0.1 -3,-0.1 0.973 132.9 -59.1 -78.9 -75.0 3.0 -23.9 -6.1 122 165 A E T <5S+ 0 0 175 -4,-0.9 -3,-0.2 -5,-0.1 -4,-0.1 -0.126 100.5 98.5-175.7 63.6 -0.7 -23.7 -5.2 123 166 A M > < + 0 0 52 -5,-1.9 3,-1.6 -7,-0.2 4,-0.4 -0.142 28.0 146.3-149.4 43.0 -1.5 -21.3 -2.4 124 167 A S T > S+ 0 0 23 -6,-0.3 3,-2.5 1,-0.3 4,-0.3 0.922 73.4 59.1 -47.7 -53.7 -2.7 -18.1 -4.0 125 168 A P T >> S+ 0 0 95 0, 0.0 3,-2.6 0, 0.0 4,-0.7 0.769 86.6 79.8 -48.6 -28.5 -5.2 -17.4 -1.2 126 169 A L H <> S+ 0 0 36 -3,-1.6 4,-2.2 1,-0.3 3,-0.2 0.826 74.1 75.2 -50.5 -34.1 -2.2 -17.4 1.2 127 170 A V H <> S+ 0 0 0 -3,-2.5 4,-2.6 -4,-0.4 -1,-0.3 0.816 92.6 55.4 -49.2 -31.3 -1.5 -13.9 -0.0 128 171 A D H <> S+ 0 0 62 -3,-2.6 4,-1.9 -4,-0.3 -1,-0.2 0.957 106.4 46.7 -67.3 -51.2 -4.4 -12.9 2.2 129 172 A N H X S+ 0 0 86 -4,-0.7 4,-1.9 -3,-0.2 -2,-0.2 0.804 114.1 52.2 -60.6 -29.0 -2.9 -14.5 5.3 130 173 A I H X S+ 0 0 2 -4,-2.2 4,-3.0 2,-0.2 5,-0.3 0.988 106.5 47.6 -71.0 -61.5 0.3 -12.8 4.4 131 174 A A H X S+ 0 0 2 -4,-2.6 4,-1.4 1,-0.2 -2,-0.2 0.830 110.8 58.8 -48.1 -33.2 -1.0 -9.2 4.0 132 175 A L H >X S+ 0 0 83 -4,-1.9 4,-1.6 -5,-0.2 3,-0.7 0.985 109.9 37.6 -60.6 -61.9 -2.7 -9.9 7.3 133 176 A W H 3X S+ 0 0 18 -4,-1.9 4,-2.5 1,-0.3 5,-0.3 0.922 111.1 60.8 -57.1 -46.6 0.5 -10.6 9.3 134 177 A M H 3X S+ 0 0 0 -4,-3.0 4,-1.9 1,-0.3 -1,-0.3 0.847 106.9 47.9 -49.5 -36.0 2.3 -7.9 7.4 135 178 A T H S+ 0 0 21 -4,-2.5 4,-1.3 2,-0.2 5,-0.6 0.976 115.2 55.4 -65.1 -57.3 3.9 -6.5 12.5 138 181 A L H X>S+ 0 0 1 -4,-1.9 4,-2.1 -5,-0.3 5,-2.0 0.859 118.5 35.7 -43.1 -45.5 4.1 -3.3 10.5 139 182 A N H <5S+ 0 0 64 -4,-1.9 5,-0.3 3,-0.2 -1,-0.3 0.836 113.0 58.7 -79.4 -35.4 1.7 -1.7 12.9 140 183 A R H <5S+ 0 0 185 -4,-2.3 -2,-0.2 -5,-0.3 -1,-0.2 0.540 131.5 6.3 -71.3 -7.4 3.0 -3.5 16.0 141 184 A H H X5S+ 0 0 80 -4,-1.3 4,-0.8 -3,-0.3 -2,-0.2 0.528 134.7 39.9-143.7 -36.0 6.5 -2.0 15.3 142 185 A L H X S+ 0 0 90 -5,-0.3 4,-1.8 2,-0.2 5,-0.3 0.927 114.3 42.9 -75.6 -47.3 4.9 3.6 16.2 145 188 A W H < S+ 0 0 69 -4,-0.8 4,-0.3 3,-0.2 -2,-0.2 0.790 122.1 42.9 -68.1 -29.0 8.1 4.6 14.6 146 189 A I H < S+ 0 0 4 -4,-3.6 5,-0.2 2,-0.1 -2,-0.2 0.944 119.9 37.8 -81.7 -55.7 6.1 6.2 11.7 147 190 A Q H >< S+ 0 0 112 -4,-2.5 3,-1.5 -5,-0.3 -3,-0.2 0.973 115.2 52.4 -61.1 -57.2 3.4 7.9 13.6 148 191 A D T 3< S+ 0 0 140 -4,-1.8 -1,-0.2 -5,-0.4 -3,-0.2 0.806 115.5 45.7 -49.4 -31.2 5.5 9.1 16.5 149 192 A N T 3 S- 0 0 97 -4,-0.3 2,-1.0 -5,-0.3 -1,-0.3 -0.378 138.7 -72.0-110.6 52.4 7.8 10.5 13.9 150 193 A G S < S- 0 0 63 -3,-1.5 2,-0.3 -2,-0.2 -3,-0.1 -0.750 71.1-112.8 102.2 -89.6 5.2 12.2 11.7 151 194 A G > - 0 0 12 -2,-1.0 4,-0.6 -5,-0.2 3,-0.1 -0.994 55.0 -33.1 154.1-155.8 3.3 9.5 9.9 152 195 A W H >> S+ 0 0 16 -2,-0.3 4,-1.1 1,-0.2 3,-0.5 0.831 134.3 52.4 -68.2 -31.8 2.6 8.1 6.4 153 196 A D H 3> S+ 0 0 70 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.767 92.8 73.9 -74.2 -25.9 3.0 11.6 4.9 154 197 A A H 3> S+ 0 0 21 1,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.846 102.4 41.9 -55.5 -34.8 6.3 12.0 6.7 155 198 A F H < S+ 0 0 153 -4,-2.0 3,-0.5 2,-0.2 -1,-0.2 0.812 110.8 46.1 -79.7 -31.7 7.5 14.4 2.0 158 201 A L H 3< S+ 0 0 120 -4,-0.8 -2,-0.2 -3,-0.3 -1,-0.2 0.763 123.1 35.3 -80.4 -27.4 11.0 13.0 2.1 159 202 A Y T 3< S+ 0 0 110 -4,-2.0 -1,-0.2 -5,-0.1 -2,-0.2 -0.022 79.9 162.7-115.3 28.4 10.6 11.1 -1.1 160 203 A G < - 0 0 48 -3,-0.5 3,-0.4 -5,-0.1 -3,-0.1 -0.307 44.2-115.5 -52.6 108.7 8.4 13.7 -2.9 161 204 A P > - 0 0 51 0, 0.0 3,-0.8 0, 0.0 2,-0.6 0.117 55.5 -57.5 -41.9 160.2 8.6 12.6 -6.6 162 205 A S T 3 S- 0 0 121 1,-0.2 -2,-0.0 2,-0.2 -3,-0.0 -0.215 114.2 -36.3 -47.4 95.2 10.2 15.0 -9.0 163 206 A M T 3 0 0 133 -2,-0.6 -1,-0.2 -3,-0.4 -3,-0.0 0.954 360.0 360.0 45.6 79.5 7.9 18.0 -8.4 164 207 A R < 0 0 248 -3,-0.8 -1,-0.3 -115,-0.0 -2,-0.2 0.690 360.0 360.0 61.5 360.0 4.6 16.3 -7.9