==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER APOPTOSIS 04-APR-96 1LXL . COMPND 2 MOLECULE: BCL-XL; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR S.W.MUCHMORE,M.SATTLER,H.LIANG,R.P.MEADOWS,J.E.HARLAN, . 221 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16314.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 124 56.1 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 . 15 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 21 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 82 37.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 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 0 0 1 2 0 0 0 1 1 0 0 1 1 0 0 1 0 0 0 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 M 0 0 210 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 94.6 -3.9 18.9 15.5 2 -2 A S + 0 0 128 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.019 360.0 125.9-147.7 31.9 -5.2 17.2 12.2 3 -1 A M + 0 0 137 1,-0.1 0, 0.0 2,-0.1 0, 0.0 -0.408 8.5 133.7 -88.4 170.2 -2.9 14.2 11.7 4 0 A A - 0 0 81 -2,-0.1 -1,-0.1 0, 0.0 4,-0.1 0.058 38.5-152.6-179.2 -51.7 -4.1 10.6 11.3 5 1 A M + 0 0 51 2,-0.1 4,-0.4 3,-0.1 3,-0.2 0.991 34.7 154.9 56.7 63.1 -2.4 8.8 8.4 6 2 A S S > S+ 0 0 91 1,-0.2 4,-0.7 2,-0.1 5,-0.4 0.887 75.5 31.2 -88.5 -43.7 -5.3 6.4 7.6 7 3 A Q T 4 S+ 0 0 108 1,-0.2 -1,-0.2 3,-0.2 -2,-0.1 -0.056 105.9 78.5-103.3 34.1 -4.5 5.7 4.0 8 4 A S T 4 S+ 0 0 5 -3,-0.2 -1,-0.2 3,-0.1 -2,-0.1 0.704 103.5 26.1-109.7 -30.5 -0.7 6.1 4.4 9 5 A N T > S+ 0 0 2 -4,-0.4 4,-1.8 -3,-0.2 -2,-0.1 0.828 132.8 33.4-100.3 -43.6 0.1 2.7 5.9 10 6 A R H X S+ 0 0 171 -4,-0.7 4,-1.8 2,-0.2 5,-0.3 0.961 118.4 50.3 -77.9 -53.5 -2.7 0.5 4.6 11 7 A E H > S+ 0 0 64 -5,-0.4 4,-1.3 1,-0.2 -1,-0.2 0.834 113.7 50.6 -54.7 -28.3 -3.2 2.1 1.2 12 8 A L H > S+ 0 0 0 2,-0.2 4,-1.9 1,-0.2 5,-0.3 0.960 104.9 52.2 -75.9 -51.4 0.6 1.8 0.8 13 9 A V H X S+ 0 0 1 -4,-1.8 4,-0.9 1,-0.3 -2,-0.2 0.811 116.4 43.7 -55.5 -26.0 0.8 -1.9 1.7 14 10 A V H X S+ 0 0 41 -4,-1.8 4,-1.7 2,-0.2 -1,-0.3 0.772 107.5 57.6 -90.9 -26.9 -1.9 -2.5 -0.9 15 11 A D H X S+ 0 0 31 -4,-1.3 4,-1.6 -5,-0.3 -2,-0.2 0.809 109.6 46.1 -73.3 -26.1 -0.4 -0.2 -3.6 16 12 A F H X S+ 0 0 13 -4,-1.9 4,-1.9 2,-0.2 5,-0.2 0.875 112.1 48.9 -83.3 -37.9 2.8 -2.2 -3.6 17 13 A L H X S+ 0 0 1 -4,-0.9 4,-1.8 -5,-0.3 -2,-0.2 0.867 115.9 44.9 -69.7 -33.0 1.1 -5.6 -3.7 18 14 A S H X S+ 0 0 29 -4,-1.7 4,-1.5 2,-0.2 -2,-0.2 0.931 109.7 53.6 -76.7 -45.1 -1.0 -4.4 -6.6 19 15 A Y H X S+ 0 0 95 -4,-1.6 4,-1.0 -5,-0.2 3,-0.4 0.947 113.3 43.9 -55.4 -47.7 1.8 -2.7 -8.6 20 16 A K H >X S+ 0 0 30 -4,-1.9 3,-1.0 1,-0.2 4,-0.8 0.959 109.5 55.2 -64.0 -48.5 3.9 -5.9 -8.5 21 17 A L H 3X>S+ 0 0 0 -4,-1.8 4,-1.5 1,-0.3 5,-0.5 0.783 100.3 64.3 -56.7 -22.5 0.9 -8.1 -9.3 22 18 A S H 3<5S+ 0 0 67 -4,-1.5 -1,-0.3 -3,-0.4 -2,-0.2 0.916 89.9 63.0 -69.4 -39.9 0.5 -5.9 -12.4 23 19 A Q H <<5S+ 0 0 158 -4,-1.0 -1,-0.2 -3,-1.0 -2,-0.2 0.853 110.8 40.7 -53.7 -30.9 3.8 -7.0 -13.9 24 20 A K H <5S- 0 0 129 -4,-0.8 -1,-0.3 -3,-0.3 -2,-0.2 0.786 118.2-113.7 -88.2 -28.5 2.3 -10.5 -14.1 25 21 A G T <5S+ 0 0 55 -4,-1.5 -3,-0.2 1,-0.4 -2,-0.1 -0.006 74.5 125.5 119.8 -29.9 -1.1 -9.2 -15.3 26 22 A Y < - 0 0 75 -5,-0.5 -1,-0.4 1,-0.1 2,-0.4 -0.094 51.7-137.7 -55.8 162.8 -3.2 -10.2 -12.2 27 23 A S - 0 0 67 1,-0.1 4,-0.4 -3,-0.1 3,-0.1 -0.956 11.8-141.1-127.5 146.6 -5.2 -7.4 -10.6 28 24 A W S >> S+ 0 0 45 -2,-0.4 4,-1.5 1,-0.2 3,-1.3 0.854 103.7 60.0 -74.1 -32.0 -5.8 -6.5 -6.9 29 25 A S T 34 S+ 0 0 106 1,-0.3 -1,-0.2 2,-0.2 4,-0.1 0.830 87.6 75.1 -65.5 -27.8 -9.4 -5.6 -7.5 30 26 A Q T 34 S+ 0 0 151 -3,-0.1 -1,-0.3 1,-0.1 -2,-0.2 0.835 113.4 22.9 -54.4 -28.6 -10.0 -9.2 -8.7 31 27 A F T <4 S+ 0 0 34 -3,-1.3 2,-1.0 -4,-0.4 3,-0.4 0.852 71.3 171.1-101.2 -68.7 -9.8 -10.2 -5.1 32 28 A S < - 0 0 53 -4,-1.5 3,-0.1 1,-0.2 -1,-0.1 -0.198 38.3-135.8 83.9 -45.2 -10.7 -7.2 -2.9 33 29 A D S S+ 0 0 102 -2,-1.0 -1,-0.2 1,-0.2 2,-0.1 0.782 76.8 87.4 65.3 21.9 -10.8 -9.3 0.3 34 30 A V S S- 0 0 80 -3,-0.4 -1,-0.2 6,-0.0 5,-0.1 -0.327 92.3 -95.9-127.3-148.7 -14.0 -7.4 1.2 35 31 A E S S- 0 0 71 3,-0.3 -3,-0.1 -2,-0.1 -2,-0.0 -0.247 73.7 -73.7-134.0 49.2 -17.8 -7.9 0.5 36 32 A E S S- 0 0 123 4,-0.1 4,-0.1 5,-0.0 5,-0.1 0.953 89.7 -68.0 62.7 47.2 -18.4 -5.6 -2.6 37 33 A N S S+ 0 0 124 2,-0.1 4,-0.4 3,-0.1 -3,-0.0 0.112 112.8 54.9 59.0 174.2 -18.2 -2.4 -0.4 38 34 A R S S- 0 0 104 2,-0.2 -3,-0.3 1,-0.1 -1,-0.1 0.056 119.1 -51.8 54.9-176.9 -21.0 -1.7 2.1 39 35 A T S S- 0 0 120 1,-0.1 -1,-0.1 -3,-0.1 -2,-0.1 0.990 115.4 -41.0 -55.1 -65.8 -21.6 -4.4 4.8 40 36 A E S S- 0 0 131 -4,-0.1 -2,-0.2 -6,-0.0 -1,-0.1 0.124 82.0 -96.2-153.5 24.7 -22.1 -7.3 2.3 41 37 A A - 0 0 30 -4,-0.4 -3,-0.1 1,-0.2 -4,-0.1 0.981 47.9-178.7 52.2 69.7 -24.1 -5.8 -0.7 42 38 A P - 0 0 87 0, 0.0 -1,-0.2 0, 0.0 -4,-0.0 0.175 46.1-111.0 -83.8 15.8 -27.5 -7.0 0.5 43 39 A E S S+ 0 0 178 1,-0.1 4,-0.0 3,-0.0 -2,-0.0 0.982 93.9 92.9 52.7 64.5 -29.2 -5.5 -2.6 44 40 A G + 0 0 40 2,-0.1 3,-0.1 6,-0.0 -1,-0.1 -0.002 59.3 70.1-179.5 57.2 -31.1 -2.8 -0.6 45 41 A T S S+ 0 0 76 1,-0.4 2,-0.3 4,-0.0 3,-0.1 0.440 98.9 6.6-145.9 -48.0 -29.2 0.5 -0.5 46 42 A E S S+ 0 0 87 1,-0.1 -1,-0.4 3,-0.1 -2,-0.1 -0.986 111.7 34.1-144.3 154.9 -29.1 2.3 -3.8 47 43 A S S S+ 0 0 128 -2,-0.3 -1,-0.1 -3,-0.1 0, 0.0 0.782 118.6 49.8 73.9 26.3 -30.6 1.8 -7.3 48 44 A E S S- 0 0 71 -3,-0.1 3,-0.4 -4,-0.0 -1,-0.1 0.365 76.1-169.2-159.6 -36.2 -33.8 0.3 -5.9 49 45 A M - 0 0 144 1,-0.2 -3,-0.1 -4,-0.0 -4,-0.0 0.082 37.2-101.1 55.9 179.1 -35.2 2.6 -3.1 50 46 A E S S+ 0 0 180 -5,-0.1 -1,-0.2 -6,-0.0 -6,-0.0 -0.031 83.6 108.1-127.0 31.6 -38.1 1.2 -1.0 51 47 A T - 0 0 75 -3,-0.4 4,-0.0 1,-0.2 0, 0.0 -0.944 61.5-143.1-114.6 129.6 -41.1 2.9 -2.6 52 48 A P - 0 0 110 0, 0.0 -1,-0.2 0, 0.0 0, 0.0 0.976 63.2 -75.8 -50.7 -69.6 -43.6 0.9 -4.7 53 49 A S S S+ 0 0 112 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 0.240 107.6 5.0 171.5 37.8 -44.2 3.7 -7.3 54 50 A A + 0 0 75 2,-0.1 4,-0.1 1,-0.1 -3,-0.0 -0.279 56.2 172.9 173.6 -77.9 -46.5 6.5 -5.9 55 51 A I - 0 0 100 2,-0.1 -1,-0.1 4,-0.0 3,-0.0 0.911 38.7-127.2 40.1 90.8 -47.6 6.3 -2.2 56 52 A N S S+ 0 0 159 1,-0.2 -2,-0.1 3,-0.1 0, 0.0 0.021 85.9 71.3 -54.4 173.2 -49.4 9.7 -1.8 57 53 A G S S+ 0 0 80 2,-0.0 -1,-0.2 0, 0.0 -2,-0.1 0.757 93.9 62.7 86.9 24.6 -48.2 11.9 1.1 58 54 A N + 0 0 106 -4,-0.1 2,-1.0 2,-0.0 -4,-0.0 -0.150 50.1 169.8-179.1 71.2 -44.9 12.8 -0.5 59 55 A P S S- 0 0 114 0, 0.0 -3,-0.1 0, 0.0 -4,-0.0 -0.260 73.8 -82.0 -83.9 46.1 -45.1 14.7 -3.8 60 56 A S S S+ 0 0 98 -2,-1.0 -2,-0.0 1,-0.0 0, 0.0 0.976 89.7 137.1 53.7 57.8 -41.3 15.5 -3.8 61 57 A W + 0 0 159 1,-0.0 -3,-0.0 0, 0.0 -1,-0.0 0.870 6.8 148.1 -97.4 -70.0 -41.7 18.5 -1.5 62 58 A H S S- 0 0 130 1,-0.2 2,-2.0 2,-0.1 3,-0.3 0.785 87.8 -81.2 38.6 33.2 -38.8 18.3 1.1 63 59 A L - 0 0 86 1,-0.2 -1,-0.2 2,-0.1 0, 0.0 -0.497 53.4-160.9 77.6 -77.4 -39.0 22.1 1.1 64 60 A A + 0 0 72 -2,-2.0 -1,-0.2 1,-0.1 -2,-0.1 0.939 68.2 86.8 65.9 43.7 -36.9 22.7 -2.2 65 61 A D + 0 0 97 -3,-0.3 -2,-0.1 3,-0.0 -1,-0.1 0.086 52.1 150.8-161.0 30.5 -36.2 26.3 -1.2 66 62 A S - 0 0 62 1,-0.1 2,-1.3 2,-0.1 5,-0.1 -0.137 62.1 -97.7 -64.7 169.6 -33.1 26.3 1.0 67 63 A P - 0 0 101 0, 0.0 2,-1.4 0, 0.0 -1,-0.1 -0.340 55.1-107.3 -84.3 51.8 -30.7 29.3 1.0 68 64 A A S >>S+ 0 0 67 -2,-1.3 5,-1.4 5,-0.0 4,-1.0 -0.343 104.4 59.9 58.2 -91.2 -28.2 27.7 -1.5 69 65 A V T 45S+ 0 0 85 -2,-1.4 0, 0.0 4,-0.2 0, 0.0 -0.259 101.6 32.2 -62.8 154.8 -25.5 26.9 1.0 70 66 A N T 45S+ 0 0 124 1,-0.2 2,-0.4 2,-0.1 3,-0.2 0.793 120.8 30.6 64.7 111.7 -26.5 24.6 3.9 71 67 A G T 45S+ 0 0 48 1,-0.3 -1,-0.2 3,-0.1 -2,-0.1 -0.371 135.5 15.9 106.8 -55.4 -29.1 22.0 2.8 72 68 A A T <5S+ 0 0 57 -4,-1.0 -1,-0.3 -2,-0.4 -3,-0.2 0.682 135.1 27.7-114.4 -77.3 -28.1 21.7 -0.9 73 69 A T S > XS+ 0 0 59 -5,-1.4 5,-1.6 -3,-0.2 3,-1.4 0.953 114.0 71.8 -54.5 -49.5 -24.6 23.0 -1.8 74 70 A G T 3 5S+ 0 0 8 -6,-0.5 -3,-0.1 1,-0.2 -6,-0.0 -0.317 100.4 26.1 -65.9 151.8 -23.4 22.4 1.8 75 71 A H T 3 5S+ 0 0 153 1,-0.1 -1,-0.2 -5,-0.1 -2,-0.1 0.436 130.2 44.7 75.4 -2.9 -22.9 18.7 2.7 76 72 A S T < 5S+ 0 0 73 -3,-1.4 -2,-0.2 -4,-0.1 -1,-0.1 0.095 133.0 0.7-158.3 31.1 -22.3 17.8 -1.0 77 73 A S T 5S+ 0 0 84 1,-0.1 -3,-0.2 2,-0.0 -4,-0.1 0.066 106.2 83.2 175.0 -44.3 -20.0 20.5 -2.4 78 74 A S < + 0 0 48 -5,-1.6 -1,-0.1 2,-0.1 -4,-0.0 0.204 60.0 75.0 -63.7-162.9 -19.0 23.1 0.2 79 75 A L S S- 0 0 134 1,-0.1 2,-0.8 2,-0.1 -2,-0.0 0.881 71.0-138.8 58.3 103.3 -16.1 22.3 2.6 80 76 A D + 0 0 164 1,-0.2 -1,-0.1 2,-0.1 -2,-0.1 -0.812 55.1 123.0 -96.5 111.3 -12.8 22.7 0.8 81 77 A A > - 0 0 70 -2,-0.8 3,-1.2 3,-0.0 -1,-0.2 0.585 45.8-156.3-132.9 -45.5 -10.3 20.0 1.7 82 78 A R T 3 - 0 0 203 1,-0.2 -2,-0.1 3,-0.0 0, 0.0 0.513 62.5 -84.6 74.7 2.2 -9.2 18.1 -1.4 83 79 A E T 3 - 0 0 153 2,-0.1 -1,-0.2 3,-0.0 -3,-0.0 0.751 63.8-116.7 71.4 21.9 -8.4 15.0 0.8 84 80 A V < - 0 0 103 -3,-1.2 -3,-0.0 1,-0.1 0, 0.0 0.099 59.1 -42.0 40.9-159.0 -5.0 16.6 1.6 85 81 A I + 0 0 122 1,-0.2 -1,-0.1 2,-0.0 -2,-0.1 -0.841 54.5 179.7-103.1 102.9 -2.0 14.5 0.3 86 82 A P - 0 0 50 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.736 68.6 -70.0 -72.0 -24.1 -2.6 10.8 1.1 87 83 A M S > S+ 0 0 15 3,-0.0 2,-1.4 -76,-0.0 3,-1.0 -0.387 72.5 150.2 168.9 -79.6 0.8 9.9 -0.5 88 84 A A T >> S+ 0 0 52 1,-0.3 4,-1.7 2,-0.1 3,-0.5 -0.327 85.2 42.9 57.3 -90.6 1.2 10.2 -4.3 89 85 A A H 3> S+ 0 0 45 -2,-1.4 4,-1.2 1,-0.3 -1,-0.3 0.839 114.2 55.9 -54.4 -28.4 4.9 11.0 -4.3 90 86 A V H <> S+ 0 0 4 -3,-1.0 4,-1.8 2,-0.2 -1,-0.3 0.912 106.7 48.5 -72.0 -40.0 5.2 8.2 -1.7 91 87 A K H X> S+ 0 0 64 -3,-0.5 4,-1.8 2,-0.2 3,-0.8 0.999 116.0 40.0 -63.4 -64.3 3.5 5.6 -4.0 92 88 A Q H 3X S+ 0 0 112 -4,-1.7 4,-2.1 1,-0.3 5,-0.3 0.842 110.4 64.2 -54.9 -29.0 5.6 6.3 -7.1 93 89 A A H 3X S+ 0 0 1 -4,-1.2 4,-1.7 -5,-0.5 -1,-0.3 0.943 103.5 44.6 -61.7 -44.7 8.6 6.6 -4.8 94 90 A L H X S+ 0 0 137 -4,-1.8 4,-1.0 1,-0.2 3,-0.8 0.987 110.6 36.4 -59.7 -58.6 7.7 2.0 -7.4 96 92 A E H 3X S+ 0 0 79 -4,-2.1 4,-1.4 1,-0.2 3,-0.3 0.842 112.1 62.5 -64.7 -29.2 11.1 3.2 -8.6 97 93 A A H 3< S+ 0 0 4 -4,-1.7 -1,-0.2 -5,-0.3 -2,-0.2 0.832 96.7 58.8 -66.2 -27.9 12.6 2.0 -5.3 98 94 A G H XX S+ 0 0 7 -4,-1.5 4,-1.1 -3,-0.8 3,-1.0 0.880 103.2 51.7 -69.4 -34.1 11.6 -1.5 -6.2 99 95 A D H 3< S+ 0 0 100 -4,-1.0 -1,-0.2 -3,-0.3 -2,-0.2 0.857 105.7 54.9 -71.0 -31.4 13.8 -1.3 -9.4 100 96 A E T 3< S+ 0 0 104 -4,-1.4 -1,-0.2 1,-0.2 4,-0.2 0.485 110.5 47.5 -80.3 1.7 16.8 -0.1 -7.3 101 97 A F T <4 S+ 0 0 34 -3,-1.0 5,-0.3 -4,-0.2 -1,-0.2 0.598 101.8 61.1-113.5 -18.3 16.4 -3.3 -5.1 102 98 A E S < S+ 0 0 127 -4,-1.1 -1,-0.1 -3,-0.2 -2,-0.1 -0.110 96.4 62.0-100.5 39.4 16.1 -5.9 -7.9 103 99 A L S S+ 0 0 98 1,-0.3 2,-0.2 -3,-0.2 -1,-0.1 0.625 108.9 12.7-126.9 -44.1 19.5 -5.3 -9.4 104 100 A R S S+ 0 0 175 -4,-0.2 2,-2.0 2,-0.0 -1,-0.3 -0.528 100.6 53.9-122.0-168.6 22.1 -6.1 -6.7 105 101 A Y - 0 0 104 -2,-0.2 2,-2.0 -3,-0.1 3,-0.1 -0.483 58.6-174.9 79.7 -72.4 22.1 -7.9 -3.3 106 102 A R + 0 0 203 -2,-2.0 4,-0.5 -5,-0.3 3,-0.3 -0.496 64.3 57.3 79.0 -75.5 20.5 -11.1 -4.6 107 103 A R S S+ 0 0 187 -2,-2.0 2,-1.9 1,-0.2 -1,-0.1 0.283 76.6 72.2 -65.5-153.9 20.1 -12.8 -1.1 108 104 A A S > S+ 0 0 49 1,-0.2 4,-2.0 -3,-0.1 3,-0.2 -0.487 103.2 45.4 79.9 -73.6 18.2 -11.0 1.7 109 105 A F H > S+ 0 0 42 -2,-1.9 4,-1.9 -3,-0.3 -1,-0.2 0.815 109.6 57.2 -72.5 -25.4 14.7 -11.6 0.2 110 106 A S H > S+ 0 0 81 -4,-0.5 4,-0.7 2,-0.2 -1,-0.2 0.818 109.4 45.5 -73.7 -27.1 15.6 -15.2 -0.5 111 107 A D H > S+ 0 0 82 -3,-0.2 4,-1.5 2,-0.2 -2,-0.2 0.900 112.1 49.2 -82.1 -41.9 16.4 -15.7 3.2 112 108 A L H >< S+ 0 0 10 -4,-2.0 3,-0.7 1,-0.2 -2,-0.2 0.969 114.5 45.0 -62.0 -50.2 13.3 -14.0 4.6 113 109 A T H >X S+ 0 0 35 -4,-1.9 4,-1.7 1,-0.2 3,-1.1 0.833 108.8 59.3 -63.4 -28.2 11.0 -16.0 2.3 114 110 A S H 3< S+ 0 0 89 -4,-0.7 -1,-0.2 1,-0.3 -2,-0.2 0.842 103.7 51.1 -70.0 -29.8 13.0 -19.1 3.2 115 111 A Q T << S+ 0 0 78 -4,-1.5 -1,-0.3 -3,-0.7 15,-0.3 -0.126 122.4 29.5 -97.6 38.9 12.0 -18.5 6.9 116 112 A L T <4 S- 0 0 16 -3,-1.1 -2,-0.2 14,-0.1 -3,-0.1 0.255 70.2-161.3-155.2 -64.1 8.3 -18.2 6.1 117 113 A H < - 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0 0 33 -3,-1.1 -2,-0.2 -4,-0.1 -3,-0.1 0.574 66.5 -75.4 132.4 29.9 16.1 0.3 14.2 139 135 A V < - 0 0 11 -4,-0.7 2,-0.1 -5,-0.1 -4,-0.1 0.979 65.4-166.4 51.4 70.6 13.7 0.8 11.2 140 136 A N > - 0 0 86 1,-0.1 4,-1.6 4,-0.0 3,-0.2 -0.469 30.9-113.8 -84.6 161.0 16.2 2.3 8.8 141 137 A W H >> S+ 0 0 36 1,-0.2 4,-2.1 2,-0.2 3,-0.7 0.963 120.9 48.1 -60.0 -48.5 15.0 4.0 5.6 142 138 A G H 3> S+ 0 0 35 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.793 108.1 57.9 -63.2 -23.0 16.6 1.3 3.4 143 139 A R H 3> S+ 0 0 106 -3,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.834 105.6 48.9 -76.6 -29.7 14.9 -1.3 5.7 144 140 A I H X S+ 0 0 0 -4,-1.5 4,-2.0 -3,-0.4 3,-1.4 0.972 108.5 45.0 -61.7 -51.7 2.4 -11.5 -2.3 156 152 A V H 3X S+ 0 0 17 -4,-1.9 4,-1.2 1,-0.3 -1,-0.2 0.697 98.2 76.5 -66.7 -13.8 2.8 -12.2 -6.0 157 153 A E H 3< S+ 0 0 84 -4,-1.4 -1,-0.3 -5,-0.3 -2,-0.2 0.846 110.0 25.7 -66.5 -28.6 4.3 -15.6 -5.0 158 154 A S H X<>S+ 0 0 1 -3,-1.4 3,-1.6 -4,-0.7 5,-1.2 0.843 123.0 49.4-100.1 -47.0 0.8 -16.9 -4.2 159 155 A V H ><5S+ 0 0 0 -4,-2.0 3,-1.6 1,-0.3 5,-0.2 0.678 92.1 82.0 -67.6 -12.9 -1.4 -14.7 -6.5 160 156 A D T 3<5S+ 0 0 66 -4,-1.2 -1,-0.3 -5,-0.3 -3,-0.1 0.786 104.5 30.9 -63.9 -21.4 1.0 -15.6 -9.3 161 157 A K T < 5S- 0 0 132 -3,-1.6 -1,-0.3 -5,-0.1 -2,-0.2 0.005 131.3 -86.0-123.9 29.3 -1.0 -18.8 -9.7 162 158 A E T < 5S+ 0 0 148 -3,-1.6 -3,-0.2 1,-0.1 3,-0.1 0.937 88.9 131.2 69.7 45.2 -4.4 -17.6 -8.5 163 159 A M >>< + 0 0 39 -5,-1.2 3,-0.9 1,-0.1 4,-0.5 -0.432 7.3 141.3-126.0 59.7 -3.7 -18.2 -4.8 164 160 A Q H 3> + 0 0 44 1,-0.2 4,-1.6 -5,-0.2 5,-0.3 0.512 44.7 100.7 -79.1 -0.9 -4.8 -14.9 -3.2 165 161 A V H 34 S+ 0 0 99 1,-0.2 -1,-0.2 2,-0.2 4,-0.2 0.807 100.7 23.5 -55.1 -23.9 -6.2 -16.8 -0.2 166 162 A L H <> S+ 0 0 9 -3,-0.9 4,-1.6 2,-0.1 -1,-0.2 0.573 107.9 76.2-116.1 -16.2 -3.0 -15.8 1.6 167 163 A V H X S+ 0 0 2 -4,-0.5 4,-1.8 1,-0.2 5,-0.2 0.924 95.8 51.7 -63.8 -39.3 -1.9 -12.7 -0.4 168 164 A S H X S+ 0 0 15 -4,-1.6 4,-1.8 1,-0.2 -1,-0.2 0.936 107.2 52.7 -62.9 -41.9 -4.6 -10.7 1.4 169 165 A R H > S+ 0 0 146 -5,-0.3 4,-1.8 1,-0.2 -1,-0.2 0.863 105.0 57.1 -62.2 -31.7 -3.2 -11.9 4.8 170 166 A I H X S+ 0 0 0 -4,-1.6 4,-2.1 1,-0.2 5,-0.3 0.938 104.7 49.8 -65.8 -43.7 0.2 -10.7 3.7 171 167 A A H X S+ 0 0 9 -4,-1.8 4,-1.5 1,-0.2 -1,-0.2 0.882 108.3 54.3 -63.4 -34.8 -1.0 -7.2 3.1 172 168 A A H X S+ 0 0 54 -4,-1.8 4,-2.0 2,-0.2 5,-0.2 0.900 107.2 50.9 -67.2 -37.4 -2.6 -7.2 6.6 173 169 A W H X S+ 0 0 10 -4,-1.8 4,-1.8 1,-0.2 5,-0.2 0.976 111.5 45.0 -65.0 -53.1 0.7 -8.2 8.2 174 170 A M H X S+ 0 0 1 -4,-2.1 4,-1.2 1,-0.2 -1,-0.2 0.820 110.2 59.3 -61.6 -27.2 2.7 -5.4 6.5 175 171 A A H X S+ 0 0 11 -4,-1.5 4,-1.8 -5,-0.3 3,-0.5 0.974 108.3 40.4 -67.5 -52.9 -0.1 -3.0 7.5 176 172 A T H X S+ 0 0 77 -4,-2.0 4,-1.4 1,-0.2 -1,-0.2 0.817 118.5 49.5 -66.7 -26.7 0.1 -3.6 11.2 177 173 A Y H <>S+ 0 0 1 -4,-1.8 5,-1.6 -5,-0.2 -1,-0.2 0.680 111.9 47.7 -86.0 -16.1 3.9 -3.6 11.0 178 174 A L H <5S+ 0 0 0 -4,-1.2 -2,-0.2 -3,-0.5 -1,-0.2 0.730 121.6 33.5 -94.8 -23.9 4.0 -0.4 9.0 179 175 A N H <5S+ 0 0 55 -4,-1.8 -2,-0.2 -5,-0.2 -3,-0.2 0.780 126.2 38.1-100.1 -33.1 1.6 1.6 11.2 180 176 A D T <5S+ 0 0 117 -4,-1.4 -3,-0.1 -5,-0.4 -2,-0.1 0.317 137.3 13.0-100.1 10.4 2.5 0.2 14.6 181 177 A H T >5S+ 0 0 86 -4,-0.1 4,-0.9 3,-0.0 -3,-0.2 0.433 129.5 40.2-147.0 -53.1 6.3 -0.1 14.0 182 178 A L H > S+ 0 0 35 2,-0.2 4,-1.9 1,-0.2 5,-0.3 0.977 99.8 49.5 -74.7 -53.9 5.3 4.7 11.6 184 180 A P H > S+ 0 0 75 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.868 118.8 40.4 -52.5 -40.7 6.7 5.8 15.0 185 181 A W H X S+ 0 0 34 -4,-0.9 4,-1.5 2,-0.2 -2,-0.2 0.820 108.2 61.2 -80.7 -29.4 10.3 5.7 13.5 186 182 A I H < S+ 0 0 0 -4,-1.3 -1,-0.2 1,-0.2 9,-0.2 0.851 114.7 35.2 -65.9 -30.4 9.2 7.2 10.2 187 183 A Q H >< S+ 0 0 96 -4,-1.9 3,-1.1 4,-0.1 -1,-0.2 0.795 114.1 56.5 -92.1 -31.7 8.1 10.4 12.1 188 184 A E H 3< S+ 0 0 153 -4,-1.6 -2,-0.2 -5,-0.3 -3,-0.2 0.730 113.9 41.7 -72.6 -18.7 10.9 10.2 14.7 189 185 A N T 3< S- 0 0 83 -4,-1.5 2,-0.4 -5,-0.1 -1,-0.2 0.103 138.7 -68.9-114.2 23.5 13.5 10.3 12.0 190 186 A G S < S- 0 0 50 -3,-1.1 2,-0.2 4,-0.1 3,-0.1 -0.689 72.9 -95.3 130.6 -84.1 11.8 12.9 9.7 191 187 A G > - 0 0 4 -2,-0.4 4,-2.1 1,-0.1 5,-0.3 -0.757 44.4 -68.7 147.8 165.3 8.6 11.6 8.1 192 188 A W H > S+ 0 0 9 -2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.792 127.7 62.1 -55.3 -23.7 7.3 10.0 4.9 193 189 A D H > S+ 0 0 127 2,-0.2 4,-1.8 1,-0.2 3,-0.3 0.990 104.2 42.5 -68.0 -58.3 8.1 13.4 3.2 194 190 A T H > S+ 0 0 70 1,-0.2 4,-1.5 2,-0.2 3,-0.3 0.939 113.1 54.4 -54.4 -46.2 11.9 13.3 3.8 195 191 A F H X>S+ 0 0 2 -4,-2.1 4,-2.0 1,-0.3 5,-1.0 0.906 104.3 55.1 -56.6 -38.1 12.0 9.6 2.9 196 192 A V H <5S+ 0 0 19 -4,-1.6 -1,-0.3 -3,-0.3 -2,-0.2 0.911 106.4 51.1 -62.4 -37.8 10.3 10.6 -0.4 197 193 A E H <5S+ 0 0 165 -4,-1.8 -1,-0.2 -3,-0.3 -2,-0.2 0.784 110.4 52.0 -70.1 -24.4 13.1 13.1 -1.0 198 194 A L H <5S- 0 0 102 -4,-1.5 -2,-0.2 -3,-0.3 -3,-0.1 0.985 138.4 -9.5 -76.6 -65.4 15.7 10.3 -0.3 199 195 A Y T <5S+ 0 0 97 -4,-2.0 2,-1.1 1,-0.1 -3,-0.2 0.827 110.0 94.0-102.0 -43.7 14.6 7.5 -2.7 200 196 A G < + 0 0 10 -5,-1.0 2,-0.5 1,-0.0 -107,-0.2 -0.260 58.6 179.8 -52.7 91.6 11.2 8.7 -4.0 201 197 A N - 0 0 74 -2,-1.1 -105,-0.1 -108,-0.2 -4,-0.1 -0.854 24.8-147.4-101.7 127.3 12.5 10.3 -7.1 202 198 A N - 0 0 135 -2,-0.5 -1,-0.2 1,-0.1 -106,-0.1 0.980 57.9 -76.9 -54.5 -77.8 9.9 12.0 -9.4 203 199 A A + 0 0 77 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.136 67.9 152.3 177.3 44.0 11.6 11.4 -12.8 204 200 A A - 0 0 67 1,-0.1 -2,-0.0 2,-0.0 -3,-0.0 0.894 29.5-165.7 -55.0 -37.2 14.5 13.7 -13.4 205 201 A A + 0 0 94 1,-0.1 -1,-0.1 2,-0.0 -3,-0.0 0.837 69.0 78.0 54.9 28.6 16.0 11.0 -15.7 206 202 A E + 0 0 100 5,-0.0 3,-0.4 2,-0.0 -1,-0.1 0.567 55.7 179.7-129.0 -64.7 19.3 13.1 -15.4 207 203 A S S S- 0 0 101 1,-0.2 3,-0.1 3,-0.1 -2,-0.0 0.978 87.3 -50.7 55.7 58.2 21.1 12.6 -12.1 208 204 A R S S+ 0 0 189 1,-0.2 -1,-0.2 2,-0.1 2,-0.2 0.802 134.6 69.6 52.2 25.4 24.0 15.0 -13.0 209 205 A K + 0 0 110 -3,-0.4 -1,-0.2 1,-0.1 4,-0.1 -0.731 40.9 93.8-148.4-161.8 24.2 13.0 -16.3 210 206 A G + 0 0 67 -2,-0.2 -1,-0.1 -3,-0.1 -2,-0.1 0.995 62.2 105.8 68.7 62.5 22.3 12.3 -19.5 211 207 A Q S S- 0 0 67 -3,-0.1 2,-2.0 -5,-0.1 3,-0.3 -0.007 95.3 -91.7-163.6 42.8 24.0 14.9 -21.7 212 208 A E S S- 0 0 186 1,-0.2 -2,-0.1 2,-0.0 -1,-0.0 -0.490 72.6 -74.5 77.3 -76.2 26.4 13.1 -24.1 213 209 A R - 0 0 136 -2,-2.0 2,-1.8 -3,-0.1 -1,-0.2 0.157 47.2-161.4 175.0 -35.0 29.6 13.3 -22.0 214 210 A L - 0 0 132 -3,-0.3 2,-0.1 1,-0.1 3,-0.1 -0.449 68.4 -37.9 68.0 -86.9 30.9 16.8 -22.0 215 211 A E - 0 0 98 -2,-1.8 -1,-0.1 3,-0.1 -2,-0.0 -0.537 41.4-156.9-173.7 100.6 34.5 16.0 -20.8 216 212 A H S S- 0 0 93 1,-0.2 -1,-0.1 -2,-0.1 -2,-0.0 0.858 95.5 -32.3 -51.4 -33.0 35.4 13.4 -18.1 217 213 A H S S- 0 0 116 -3,-0.1 -1,-0.2 0, 0.0 -2,-0.0 0.173 101.5 -76.3-179.1 36.2 38.6 15.5 -17.6 218 214 A H - 0 0 95 1,-0.1 -3,-0.1 2,-0.1 -4,-0.0 0.607 33.8-129.6 65.8 130.0 39.7 17.1 -20.9 219 215 A H S S+ 0 0 117 1,-0.1 -1,-0.1 2,-0.1 -4,-0.0 0.817 109.3 33.4 -82.0 -29.8 41.4 14.8 -23.5 220 216 A H 0 0 131 1,-0.2 -1,-0.1 0, 0.0 -2,-0.1 0.760 360.0 360.0 -95.1 -28.4 44.3 17.2 -24.0 221 217 A H 0 0 150 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 -0.412 360.0 360.0 63.3 360.0 44.5 18.5 -20.4