==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER APOPTOSIS 08-MAY-99 3YGS . COMPND 2 MOLECULE: APOPTOTIC PROTEASE ACTIVATING FACTOR 1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR H.QIN,S.SRINIVASULA,G.WU,T.FERNANDES-ALNEMRI,E.ALNEMRI,Y.SHI . 192 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9871.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 143 74.5 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 . 5 2.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 14.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 104 54.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 2.1 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 2 1 1 1 2 2 0 1 0 0 0 0 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 1 C M 0 0 44 0, 0.0 63,-0.1 0, 0.0 60,-0.0 0.000 360.0 360.0 360.0 176.3 73.6 27.0 57.3 2 2 C D > - 0 0 67 1,-0.1 4,-2.9 88,-0.1 5,-0.3 -0.085 360.0-119.8 -49.9 154.1 73.8 28.2 53.7 3 3 C A H > S+ 0 0 76 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.950 115.7 45.8 -63.8 -51.0 74.5 31.9 53.0 4 4 C K H > S+ 0 0 126 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.835 114.2 50.8 -62.4 -32.5 71.2 32.3 51.2 5 5 C A H >> S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 3,-0.5 0.994 112.3 43.6 -67.2 -59.9 69.4 30.4 54.0 6 6 C R H 3X S+ 0 0 105 -4,-2.9 4,-2.3 1,-0.3 -2,-0.2 0.875 117.8 47.8 -52.8 -41.9 70.8 32.4 56.9 7 7 C N H 3X S+ 0 0 98 -4,-2.7 4,-2.4 -5,-0.3 -1,-0.3 0.803 106.3 55.1 -71.1 -32.7 70.2 35.6 54.9 8 8 C C H X S+ 0 0 0 -4,-2.3 4,-1.7 1,-0.2 3,-1.1 0.974 112.8 45.5 -60.2 -55.8 66.0 34.3 57.7 10 10 C L H 3< S+ 0 0 82 -4,-2.3 4,-0.4 1,-0.3 -1,-0.2 0.840 108.4 57.8 -55.6 -39.3 67.6 37.7 58.5 11 11 C Q H 3< S+ 0 0 145 -4,-2.4 -1,-0.3 1,-0.2 -2,-0.2 0.783 123.5 22.7 -64.2 -29.0 65.7 39.3 55.7 12 12 C H H S+ 0 0 125 -4,-0.4 4,-1.7 2,-0.2 -1,-0.2 0.923 108.2 44.9 -74.6 -45.5 61.2 40.8 61.7 15 15 C A H 4 S+ 0 0 28 -3,-0.4 -2,-0.2 2,-0.2 -1,-0.2 0.851 115.0 52.1 -63.9 -35.1 58.0 39.9 60.0 16 16 C L H >X S+ 0 0 0 -4,-2.2 4,-2.9 1,-0.2 3,-2.5 0.980 108.0 48.3 -63.4 -57.1 58.3 36.4 61.5 17 17 C E H 3< S+ 0 0 32 -4,-2.2 36,-0.2 1,-0.3 -2,-0.2 0.798 107.2 58.5 -54.3 -33.3 58.8 37.7 65.1 18 18 C K T 3< S+ 0 0 111 -4,-1.7 -1,-0.3 -5,-0.1 -2,-0.2 0.495 123.7 16.7 -78.1 -2.6 55.8 40.0 64.7 19 19 C D T <4 S+ 0 0 104 -3,-2.5 -2,-0.2 -4,-0.2 -3,-0.1 0.653 94.8 96.1-136.2 -40.7 53.5 37.0 63.9 20 20 C I < - 0 0 2 -4,-2.9 2,-0.6 -5,-0.2 33,-0.2 -0.287 53.8-144.9 -68.5 144.8 54.7 33.5 64.8 21 21 C K > - 0 0 129 1,-0.1 4,-0.7 31,-0.1 3,-0.2 -0.950 11.8-153.5-108.6 118.8 53.8 31.6 68.0 22 22 C T H > S+ 0 0 0 -2,-0.6 4,-2.9 1,-0.2 5,-0.3 0.745 75.6 72.3 -63.6 -37.0 56.8 29.5 69.1 23 23 C S H > S+ 0 0 16 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.922 102.3 41.1 -52.1 -53.1 55.2 26.6 71.1 24 24 C Y H > S+ 0 0 86 1,-0.2 4,-1.6 -3,-0.2 -1,-0.2 0.872 117.0 50.4 -63.0 -38.9 53.7 24.6 68.1 25 25 C I H X S+ 0 0 0 -4,-0.7 4,-2.5 1,-0.2 -1,-0.2 0.880 109.9 49.7 -67.3 -38.1 56.8 25.3 66.0 26 26 C M H X S+ 0 0 0 -4,-2.9 4,-2.3 2,-0.2 5,-0.2 0.843 104.4 59.1 -72.0 -29.7 59.1 24.1 68.8 27 27 C D H X S+ 0 0 0 -4,-2.0 4,-2.3 -5,-0.3 84,-0.3 0.934 110.6 43.3 -61.0 -44.2 57.0 20.9 69.1 28 28 C H H X S+ 0 0 20 -4,-1.6 4,-3.1 2,-0.2 5,-0.2 0.951 115.2 46.7 -64.6 -52.9 57.8 20.2 65.5 29 29 C M H X>S+ 0 0 0 -4,-2.5 5,-3.1 2,-0.2 6,-0.8 0.784 112.2 51.2 -63.2 -28.7 61.5 21.1 65.7 30 30 C I H ><5S+ 0 0 0 -4,-2.3 3,-0.8 4,-0.2 -1,-0.2 0.942 112.2 46.4 -72.2 -47.7 61.8 19.0 68.9 31 31 C S H 3<5S+ 0 0 9 -4,-2.3 -2,-0.2 1,-0.3 -3,-0.2 0.919 111.4 51.4 -60.1 -42.4 60.2 16.1 67.2 32 32 C D H 3<5S- 0 0 60 -4,-3.1 -1,-0.3 -5,-0.1 -2,-0.2 0.713 115.1-120.6 -67.8 -17.8 62.4 16.6 64.1 33 33 C G T <<5S+ 0 0 44 -3,-0.8 -3,-0.2 -4,-0.6 -2,-0.1 0.745 83.8 113.3 83.9 24.6 65.4 16.6 66.5 34 34 C F S - 0 0 57 -2,-0.3 4,-2.5 1,-0.1 5,-0.1 -0.578 24.8-114.0 -99.5 167.0 66.7 20.8 72.3 37 37 C I H > S+ 0 0 24 2,-0.2 4,-2.3 -2,-0.2 5,-0.2 0.925 117.5 49.2 -65.4 -44.3 64.7 21.0 75.6 38 38 C S H > S+ 0 0 56 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.953 111.7 48.2 -59.6 -51.7 67.1 23.5 77.1 39 39 C E H > S+ 0 0 40 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.939 110.8 53.9 -54.1 -44.8 67.0 25.7 74.0 40 40 C E H X S+ 0 0 8 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.872 108.2 47.6 -59.1 -41.1 63.2 25.3 74.1 41 41 C E H X S+ 0 0 91 -4,-2.3 4,-2.9 2,-0.2 -1,-0.2 0.891 107.4 55.7 -69.9 -34.5 63.0 26.6 77.7 42 42 C K H < S+ 0 0 85 -4,-2.4 4,-0.5 2,-0.2 -2,-0.2 0.925 113.1 43.0 -61.2 -43.9 65.3 29.6 77.0 43 43 C V H >< S+ 0 0 0 -4,-2.1 3,-1.2 -5,-0.2 -2,-0.2 0.930 115.4 47.7 -66.0 -48.2 62.8 30.6 74.2 44 44 C R H 3< S+ 0 0 70 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.847 103.5 63.3 -62.2 -35.4 59.7 29.9 76.3 45 45 C N T 3< S+ 0 0 116 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 0.681 77.4 112.9 -65.9 -17.1 61.2 31.8 79.3 46 46 C E S < S- 0 0 40 -3,-1.2 6,-0.1 -4,-0.5 -3,-0.0 -0.300 73.3-127.5 -59.6 139.4 61.2 35.0 77.2 47 47 C P S S+ 0 0 91 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.728 87.6 29.8 -58.7 -33.3 58.7 37.7 78.5 48 48 C T S >> S- 0 0 56 1,-0.1 4,-1.7 0, 0.0 3,-1.2 -0.973 78.2-119.7-133.7 152.4 57.0 38.3 75.2 49 49 C Q H 3> S+ 0 0 50 -2,-0.3 4,-2.9 1,-0.3 5,-0.2 0.763 113.3 60.8 -60.6 -26.6 56.2 36.2 72.1 50 50 C Q H 3> S+ 0 0 121 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.849 108.8 43.5 -68.9 -33.9 58.2 38.6 70.0 51 51 C Q H <> S+ 0 0 87 -3,-1.2 4,-2.3 2,-0.2 -2,-0.2 0.786 112.6 51.9 -79.7 -31.6 61.3 37.8 72.1 52 52 C R H X S+ 0 0 58 -4,-1.7 4,-2.9 2,-0.2 -2,-0.2 0.945 113.6 43.8 -66.6 -50.4 60.5 34.1 72.1 53 53 C A H X S+ 0 0 0 -4,-2.9 4,-2.9 1,-0.2 5,-0.3 0.953 114.7 51.5 -57.0 -48.3 60.3 34.2 68.3 54 54 C A H X S+ 0 0 25 -4,-2.1 4,-2.0 -5,-0.2 -2,-0.2 0.872 111.4 46.2 -57.5 -39.7 63.4 36.4 68.3 55 55 C M H X S+ 0 0 44 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.923 112.2 50.0 -70.7 -42.3 65.2 33.8 70.5 56 56 C L H X S+ 0 0 0 -4,-2.9 4,-3.0 1,-0.2 3,-0.3 0.973 114.7 44.1 -57.9 -56.3 64.1 30.8 68.4 57 57 C I H X S+ 0 0 0 -4,-2.9 4,-2.1 1,-0.3 -1,-0.2 0.850 109.6 57.1 -57.4 -38.9 65.2 32.6 65.2 58 58 C K H X S+ 0 0 102 -4,-2.0 4,-0.5 -5,-0.3 -1,-0.3 0.927 112.6 42.2 -59.5 -42.6 68.4 33.6 66.9 59 59 C M H >< S+ 0 0 20 -4,-2.4 3,-1.3 -3,-0.3 -2,-0.2 0.924 110.3 53.6 -70.4 -48.5 69.1 30.0 67.6 60 60 C I H >< S+ 0 0 0 -4,-3.0 3,-2.0 1,-0.3 -1,-0.2 0.845 98.5 66.7 -56.3 -35.7 68.1 28.6 64.2 61 61 C L H 3< S+ 0 0 18 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.795 102.1 46.5 -57.2 -30.3 70.5 31.0 62.5 62 62 C K T << S+ 0 0 130 -3,-1.3 -1,-0.3 -4,-0.5 -2,-0.2 0.342 102.6 94.6 -93.6 5.1 73.5 29.2 64.1 63 63 C K S < S- 0 0 36 -3,-2.0 -3,-0.0 -4,-0.2 -29,-0.0 -0.356 79.8 -89.1 -94.2 173.3 72.0 25.8 63.0 64 64 C D >> - 0 0 80 -2,-0.1 4,-0.9 -63,-0.1 3,-0.8 -0.130 43.7 -95.7 -75.1 175.4 72.4 23.5 60.1 65 65 C N H >> S+ 0 0 43 1,-0.2 4,-1.6 2,-0.2 3,-0.7 0.870 120.6 61.6 -59.6 -39.6 70.5 23.5 56.8 66 66 C D H 3> S+ 0 0 92 1,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.799 99.1 56.0 -60.1 -28.4 68.1 20.9 58.0 67 67 C S H <> S+ 0 0 3 -3,-0.8 4,-2.5 2,-0.2 -1,-0.3 0.844 102.1 56.2 -73.3 -31.3 66.9 23.1 60.8 68 68 C Y H S+ 0 0 0 -4,-2.1 5,-3.1 2,-0.2 -1,-0.2 0.863 114.1 44.0 -58.2 -45.7 55.5 27.3 59.6 76 76 C L H ><5S+ 0 0 51 -4,-1.7 3,-2.0 3,-0.2 -2,-0.2 0.957 113.7 49.3 -63.6 -54.3 53.5 25.7 56.8 77 77 C H H 3<5S+ 0 0 113 -4,-3.2 -2,-0.2 1,-0.3 -1,-0.2 0.760 112.9 50.2 -57.4 -26.6 52.1 22.9 58.9 78 78 C E T 3<5S- 0 0 59 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.298 121.7-101.4 -96.8 6.9 51.1 25.6 61.4 79 79 C G T < 5S+ 0 0 62 -3,-2.0 2,-1.5 1,-0.1 3,-0.3 0.476 82.0 128.1 90.4 1.4 49.3 27.9 59.0 80 80 C Y >< + 0 0 46 -5,-3.1 4,-1.8 1,-0.2 3,-0.2 -0.322 26.6 152.0 -87.2 56.3 52.0 30.6 58.6 81 81 C K H > + 0 0 137 -2,-1.5 4,-2.5 1,-0.2 3,-0.5 0.917 64.5 48.8 -53.0 -55.6 51.7 30.2 54.8 82 82 C D H > S+ 0 0 125 -3,-0.3 4,-1.9 1,-0.3 -1,-0.2 0.847 113.6 47.3 -57.3 -36.6 52.7 33.7 53.8 83 83 C L H > S+ 0 0 18 -3,-0.2 4,-0.9 2,-0.2 -1,-0.3 0.771 111.1 50.7 -75.9 -29.6 55.8 33.6 56.0 84 84 C A H X S+ 0 0 1 -4,-1.8 4,-0.7 -3,-0.5 -2,-0.2 0.852 107.8 55.7 -72.6 -35.7 56.8 30.2 54.7 85 85 C A H >< S+ 0 0 52 -4,-2.5 3,-1.4 1,-0.2 4,-0.5 0.948 104.7 51.5 -60.0 -47.6 56.4 31.6 51.2 86 86 C L H 3< S+ 0 0 75 -4,-1.9 3,-0.4 1,-0.3 -1,-0.2 0.784 111.4 48.1 -61.2 -30.2 58.9 34.4 52.0 87 87 C L H >< S+ 0 0 0 -4,-0.9 3,-0.8 1,-0.2 4,-0.3 0.531 84.8 89.7 -88.2 -8.1 61.3 31.8 53.2 88 88 C H G X< S+ 0 0 106 -3,-1.4 3,-1.0 -4,-0.7 -1,-0.2 0.836 81.0 63.1 -56.4 -32.6 60.9 29.6 50.1 89 89 C D G 3 S+ 0 0 129 -4,-0.5 -1,-0.2 -3,-0.4 -2,-0.1 0.894 92.1 65.3 -56.5 -43.6 63.7 31.6 48.6 90 90 C G G < S- 0 0 0 -3,-0.8 -1,-0.2 -4,-0.2 -2,-0.2 0.446 129.2 -64.2 -63.2 -13.3 66.2 30.5 51.2 91 91 C I < - 0 0 50 -3,-1.0 -3,-0.1 -4,-0.3 -2,-0.1 0.269 61.1-174.9 154.2 -8.3 66.4 26.7 50.4 92 92 C P + 0 0 20 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.256 11.5 163.9 -45.2 127.3 63.0 25.0 51.1 93 93 C V + 0 0 85 -27,-0.1 -20,-0.1 2,-0.0 -21,-0.1 -0.785 55.8 19.6-126.4 163.2 63.1 21.2 50.6 94 94 C V 0 0 96 -2,-0.3 -24,-0.0 -22,-0.0 0, 0.0 -0.005 360.0 360.0 57.1-179.5 60.3 19.0 52.0 95 95 C S 0 0 99 -3,-0.0 -18,-0.1 -25,-0.0 -2,-0.0 -0.805 360.0 360.0-170.6 360.0 57.0 20.7 52.8 96 !* 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 97 1 P S 0 0 135 0, 0.0 2,-0.5 0, 0.0 64,-0.1 0.000 360.0 360.0 360.0 -62.1 68.6 9.0 86.0 98 2 P M - 0 0 6 62,-0.5 66,-0.2 65,-0.1 65,-0.1 -0.642 360.0-124.7 -72.4 124.5 66.3 8.8 82.9 99 3 P D > - 0 0 86 -2,-0.5 4,-1.9 65,-0.2 3,-0.4 -0.181 16.4-107.4 -69.0 165.7 68.5 7.3 80.2 100 4 P E H > S+ 0 0 93 1,-0.2 4,-3.3 2,-0.2 5,-0.3 0.817 115.0 61.1 -61.1 -35.0 69.1 8.9 76.8 101 5 P A H > S+ 0 0 65 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.932 110.2 40.7 -59.9 -44.5 67.0 6.4 74.9 102 6 P D H > S+ 0 0 7 -3,-0.4 4,-1.8 2,-0.2 -1,-0.2 0.827 116.1 49.6 -73.4 -33.8 63.9 7.4 76.9 103 7 P R H X S+ 0 0 69 -4,-1.9 4,-1.4 2,-0.2 -2,-0.2 0.942 113.6 46.1 -69.7 -43.8 64.8 11.1 76.7 104 8 P R H X S+ 0 0 128 -4,-3.3 4,-3.1 1,-0.2 5,-0.3 0.900 111.0 53.9 -62.7 -41.9 65.3 10.8 73.0 105 9 P L H X S+ 0 0 22 -4,-2.2 4,-1.6 -5,-0.3 -1,-0.2 0.882 107.5 49.7 -61.3 -40.8 62.1 8.8 72.6 106 10 P L H < S+ 0 0 2 -4,-1.8 -1,-0.2 2,-0.2 -2,-0.2 0.779 113.9 47.7 -70.4 -26.2 60.1 11.6 74.4 107 11 P R H >< S+ 0 0 43 -4,-1.4 3,-2.5 -3,-0.2 4,-0.2 0.970 111.8 45.4 -77.7 -56.7 61.7 14.1 72.1 108 12 P R H 3< S+ 0 0 143 -4,-3.1 3,-0.3 1,-0.3 4,-0.2 0.790 116.7 49.1 -57.1 -28.4 61.1 12.3 68.7 109 13 P C T 3X S+ 0 0 12 -4,-1.6 4,-2.3 -5,-0.3 -1,-0.3 0.286 77.0 115.8 -93.6 9.5 57.5 11.6 69.9 110 14 P R H <> S+ 0 0 3 -3,-2.5 4,-2.9 1,-0.2 5,-0.2 0.875 76.3 43.2 -44.9 -54.1 56.8 15.2 71.0 111 15 P L H > S+ 0 0 26 -84,-0.3 4,-1.6 -3,-0.3 5,-0.2 0.923 112.6 49.6 -63.1 -48.7 54.0 15.9 68.5 112 16 P R H > S+ 0 0 98 -4,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.924 116.2 46.3 -55.5 -44.2 52.1 12.6 68.8 113 17 P L H X S+ 0 0 0 -4,-2.3 4,-3.0 1,-0.2 -2,-0.2 0.956 113.1 44.1 -64.4 -57.1 52.2 13.1 72.6 114 18 P V H < S+ 0 0 0 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.684 117.6 49.4 -66.1 -16.0 51.2 16.8 72.8 115 19 P E H < S+ 0 0 107 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.800 123.1 28.1 -88.2 -33.6 48.5 16.0 70.2 116 20 P E H < S+ 0 0 73 -4,-1.9 -2,-0.2 -5,-0.2 -3,-0.2 0.740 84.6 114.8-101.7 -27.9 47.1 12.9 71.9 117 21 P L < - 0 0 0 -4,-3.0 2,-0.6 -5,-0.2 35,-0.2 -0.221 44.5-160.1 -54.4 129.3 47.6 13.2 75.7 118 22 P Q + 0 0 100 1,-0.1 3,-0.1 34,-0.1 61,-0.1 -0.944 15.2 173.2-109.9 108.4 44.5 13.5 77.9 119 23 P V >> + 0 0 0 -2,-0.6 3,-1.6 1,-0.1 4,-1.3 0.710 54.2 87.3 -91.8 -22.7 45.6 14.9 81.2 120 24 P D T 34 S+ 0 0 111 1,-0.3 4,-0.2 2,-0.2 -1,-0.1 0.838 102.3 31.4 -45.4 -47.8 42.2 15.5 83.0 121 25 P Q T 34 S+ 0 0 143 1,-0.2 -1,-0.3 -3,-0.1 4,-0.3 0.402 108.9 71.2 -96.1 4.1 42.1 12.0 84.5 122 26 P L T X> S+ 0 0 0 -3,-1.6 4,-2.6 2,-0.1 3,-1.4 0.793 74.6 81.4 -84.9 -37.3 45.9 11.5 84.8 123 27 P W H 3X S+ 0 0 32 -4,-1.3 4,-1.7 1,-0.3 5,-0.2 0.865 95.3 44.0 -34.8 -58.6 46.5 13.9 87.7 124 28 P D H 3> S+ 0 0 125 -4,-0.2 4,-2.3 1,-0.2 -1,-0.3 0.711 113.8 50.5 -64.5 -27.7 45.5 11.5 90.4 125 29 P V H <> S+ 0 0 24 -3,-1.4 4,-1.8 -4,-0.3 6,-0.2 0.844 107.7 51.9 -80.6 -34.2 47.4 8.6 88.8 126 30 P L H <>S+ 0 0 0 -4,-2.6 5,-2.6 2,-0.2 6,-1.3 0.860 117.9 40.5 -66.7 -35.2 50.6 10.6 88.5 127 31 P L H ><5S+ 0 0 61 -4,-1.7 3,-1.2 -5,-0.3 -2,-0.2 0.914 113.8 52.1 -75.3 -49.3 50.2 11.4 92.2 128 32 P S H 3<5S+ 0 0 96 -4,-2.3 -2,-0.2 1,-0.3 -3,-0.2 0.733 116.2 40.8 -60.5 -29.2 49.0 7.9 93.2 129 33 P R T 3<5S- 0 0 101 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.344 108.7-125.3-100.4 1.9 52.0 6.3 91.5 130 34 P E T < 5 + 0 0 162 -3,-1.2 -3,-0.2 2,-0.1 -4,-0.1 0.878 65.8 138.3 59.0 37.1 54.3 9.0 92.8 131 35 P L S > - 0 0 171 -2,-0.3 4,-2.0 -3,-0.1 3,-1.3 -0.674 36.6-104.5 -91.5 149.2 55.2 15.4 93.4 134 38 P P H 3> S+ 0 0 90 0, 0.0 4,-1.4 0, 0.0 5,-0.1 0.741 118.8 51.6 -41.3 -36.0 52.0 17.4 94.3 135 39 P H H 3> S+ 0 0 108 2,-0.2 4,-1.4 1,-0.2 5,-0.1 0.857 109.4 48.3 -74.4 -35.4 53.7 20.8 93.6 136 40 P M H <> S+ 0 0 45 -3,-1.3 4,-2.5 2,-0.2 5,-0.2 0.892 106.0 59.3 -68.9 -39.4 55.0 19.8 90.2 137 41 P I H X S+ 0 0 5 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.914 107.7 45.1 -55.4 -42.6 51.5 18.5 89.3 138 42 P E H X S+ 0 0 65 -4,-1.4 4,-1.3 2,-0.2 -1,-0.2 0.846 109.0 56.2 -71.9 -31.0 50.1 21.9 89.9 139 43 P D H < S+ 0 0 63 -4,-1.4 -2,-0.2 2,-0.2 -1,-0.2 0.918 109.8 46.9 -62.9 -42.6 52.9 23.5 87.9 140 44 P I H >< S+ 0 0 0 -4,-2.5 3,-1.5 1,-0.2 -2,-0.2 0.929 110.1 51.2 -63.4 -49.0 52.0 21.3 85.0 141 45 P Q H 3< S+ 0 0 69 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.752 113.7 46.1 -61.8 -24.8 48.3 22.1 85.2 142 46 P R T 3< S+ 0 0 147 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.364 84.3 133.3 -99.3 3.1 49.1 25.8 85.3 143 47 P A S X S- 0 0 11 -3,-1.5 3,-2.6 -4,-0.2 4,-0.3 -0.292 76.6 -38.6 -59.9 130.5 51.5 25.6 82.4 144 48 P G T 3 S- 0 0 72 1,-0.3 -3,-0.0 2,-0.2 7,-0.0 -0.274 130.6 -13.4 56.5-126.6 51.1 28.2 79.7 145 49 P S T 3 S- 0 0 94 2,-0.1 -1,-0.3 -2,-0.0 -2,-0.1 0.385 95.0-112.6 -84.7 -1.8 47.4 29.0 79.1 146 50 P G < + 0 0 29 -3,-2.6 -2,-0.2 1,-0.2 2,-0.1 0.679 66.5 154.4 77.0 15.5 46.5 25.9 81.0 147 51 P S > - 0 0 43 -4,-0.3 4,-2.8 1,-0.1 3,-0.3 -0.448 61.6-107.4 -74.0 153.6 45.3 24.3 77.8 148 52 P R H > S+ 0 0 82 1,-0.2 4,-2.7 2,-0.2 5,-0.1 0.863 121.7 49.0 -46.9 -41.4 45.3 20.6 77.5 149 53 P R H > S+ 0 0 31 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.890 110.6 47.4 -67.8 -45.1 48.2 20.9 75.0 150 54 P D H > S+ 0 0 23 -3,-0.3 4,-2.3 2,-0.2 -2,-0.2 0.872 114.9 47.4 -65.5 -38.5 50.3 23.2 77.2 151 55 P Q H X S+ 0 0 21 -4,-2.8 4,-2.4 2,-0.2 -2,-0.2 0.950 112.9 48.8 -66.7 -46.8 49.7 20.9 80.2 152 56 P A H X S+ 0 0 0 -4,-2.7 4,-2.1 -5,-0.3 -2,-0.2 0.873 111.8 49.8 -60.7 -38.1 50.6 17.9 78.1 153 57 P R H X S+ 0 0 17 -4,-2.5 4,-1.5 2,-0.2 -1,-0.2 0.922 111.8 46.4 -68.6 -44.6 53.7 19.6 76.8 154 58 P Q H X S+ 0 0 63 -4,-2.3 4,-2.4 -14,-0.2 -2,-0.2 0.869 110.3 56.0 -65.8 -36.0 54.9 20.6 80.3 155 59 P L H X S+ 0 0 0 -4,-2.4 4,-1.6 1,-0.2 -2,-0.2 0.962 109.4 43.7 -60.2 -53.6 54.1 17.1 81.6 156 60 P I H X S+ 0 0 1 -4,-2.1 4,-0.5 1,-0.2 -1,-0.2 0.769 113.4 51.8 -67.8 -24.5 56.3 15.3 79.0 157 61 P I H >< S+ 0 0 28 -4,-1.5 3,-1.1 2,-0.2 4,-0.3 0.941 111.0 46.7 -74.0 -46.0 59.2 17.8 79.5 158 62 P D H >< S+ 0 0 25 -4,-2.4 3,-1.6 1,-0.3 -2,-0.2 0.778 98.1 74.7 -64.2 -26.4 59.2 17.4 83.3 159 63 P L H >< S+ 0 0 0 -4,-1.6 3,-1.8 1,-0.3 -1,-0.3 0.838 83.0 65.9 -56.9 -34.8 59.1 13.6 82.8 160 64 P E T << S+ 0 0 19 -3,-1.1 -62,-0.5 -4,-0.5 3,-0.4 0.788 99.4 53.3 -59.0 -26.8 62.8 13.7 81.7 161 65 P T T < S+ 0 0 89 -3,-1.6 -1,-0.3 -4,-0.3 -2,-0.2 0.399 87.1 84.6 -91.5 5.7 63.6 14.7 85.3 162 66 P R S < S- 0 0 55 -3,-1.8 3,-0.3 1,-0.3 -1,-0.2 0.161 93.0-108.6 -97.6 18.5 61.8 11.8 87.1 163 67 P G > - 0 0 14 -3,-0.4 3,-1.8 1,-0.2 4,-0.3 -0.096 49.4 -47.2 88.1 175.4 64.4 9.1 87.0 164 68 P S T 3 S+ 0 0 59 1,-0.3 3,-0.3 -66,-0.2 -1,-0.2 0.736 133.4 48.5 -58.7 -31.2 64.9 5.8 85.2 165 69 P Q T 3> S+ 0 0 118 -3,-0.3 4,-2.2 1,-0.2 5,-0.3 0.328 80.4 103.5 -94.8 8.6 61.4 4.5 85.8 166 70 P A H <> S+ 0 0 0 -3,-1.8 4,-2.6 2,-0.2 -1,-0.2 0.953 83.4 42.5 -55.2 -51.0 59.8 7.7 84.7 167 71 P L H > S+ 0 0 0 -4,-0.3 4,-2.8 -3,-0.3 5,-0.2 0.952 116.8 42.6 -65.3 -55.8 58.7 6.3 81.2 168 72 P P H > S+ 0 0 33 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.849 117.3 49.9 -61.6 -27.5 57.4 2.9 82.3 169 73 P L H X S+ 0 0 46 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.899 110.4 49.9 -72.3 -40.2 55.7 4.6 85.2 170 74 P F H X S+ 0 0 0 -4,-2.6 4,-2.0 -5,-0.3 -1,-0.2 0.901 108.9 53.1 -62.6 -41.3 54.2 7.1 82.8 171 75 P I H X S+ 0 0 2 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.877 105.7 53.3 -64.5 -38.3 53.0 4.2 80.6 172 76 P S H X S+ 0 0 31 -4,-1.7 4,-2.3 1,-0.2 -1,-0.2 0.884 108.7 49.1 -65.1 -37.3 51.3 2.6 83.6 173 77 P C H < S+ 0 0 0 -4,-1.8 4,-0.5 2,-0.2 -1,-0.2 0.870 109.3 53.0 -69.0 -36.8 49.4 5.9 84.3 174 78 P L H ><>S+ 0 0 0 -4,-2.0 5,-2.5 1,-0.2 3,-1.0 0.949 110.4 48.1 -61.9 -48.7 48.4 6.1 80.7 175 79 P E H ><5S+ 0 0 62 -4,-2.4 3,-1.9 1,-0.3 -2,-0.2 0.923 108.2 51.2 -60.4 -47.0 47.0 2.6 80.8 176 80 P D T 3<5S+ 0 0 79 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.590 109.5 54.0 -70.0 -3.7 45.0 3.0 84.0 177 81 P T T < 5S- 0 0 37 -3,-1.0 -1,-0.3 -4,-0.5 -2,-0.2 0.456 119.8-114.1-100.5 -8.5 43.6 6.1 82.3 178 82 P G T < 5S+ 0 0 47 -3,-1.9 2,-1.8 -4,-0.4 3,-0.2 0.604 72.0 138.6 85.0 12.3 42.5 4.0 79.3 179 83 P Q >< + 0 0 25 -5,-2.5 4,-2.2 1,-0.2 5,-0.2 -0.471 19.9 156.4 -89.0 67.9 44.9 5.6 76.9 180 84 P D H > + 0 0 107 -2,-1.8 4,-2.5 2,-0.2 -1,-0.2 0.814 63.3 50.8 -64.8 -39.6 45.8 2.3 75.3 181 85 P M H > S+ 0 0 169 -3,-0.2 4,-2.6 2,-0.2 5,-0.2 0.955 114.3 45.1 -67.4 -44.6 47.0 3.4 71.8 182 86 P L H > S+ 0 0 6 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.909 115.9 46.5 -64.3 -44.4 49.3 6.0 73.3 183 87 P A H X S+ 0 0 1 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.897 113.0 51.8 -63.8 -38.8 50.6 3.5 75.9 184 88 P S H X S+ 0 0 64 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.890 107.9 49.8 -63.6 -46.2 51.0 0.8 73.1 185 89 P F H X S+ 0 0 64 -4,-2.6 4,-1.8 2,-0.2 -1,-0.2 0.942 113.1 46.5 -60.9 -47.1 53.0 3.1 70.9 186 90 P L H X S+ 0 0 0 -4,-2.0 4,-2.4 1,-0.2 5,-0.2 0.900 113.5 49.2 -63.1 -41.9 55.4 4.0 73.7 187 91 P R H X S+ 0 0 92 -4,-2.4 4,-2.6 2,-0.2 -1,-0.2 0.908 108.6 51.5 -63.4 -49.0 55.8 0.4 74.8 188 92 P T H X S+ 0 0 86 -4,-2.6 4,-0.8 1,-0.2 -1,-0.2 0.887 111.3 50.1 -58.1 -37.0 56.5 -0.9 71.3 189 93 P N H >< S+ 0 0 67 -4,-1.8 3,-0.6 -5,-0.2 -2,-0.2 0.945 114.4 40.7 -67.8 -49.8 59.1 1.7 70.9 190 94 P R H 3< S+ 0 0 93 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.807 115.7 52.8 -67.5 -33.1 61.0 1.0 74.3 191 95 P Q H 3< S+ 0 0 124 -4,-2.6 2,-2.9 -5,-0.2 -1,-0.2 0.647 82.0 93.7 -76.4 -15.3 60.5 -2.7 73.7 192 96 P A << 0 0 81 -4,-0.8 -1,-0.2 -3,-0.6 -4,-0.1 -0.439 360.0 360.0 -75.9 67.3 62.1 -2.4 70.2 193 97 P G 0 0 137 -2,-2.9 -3,-0.0 0, 0.0 -4,-0.0 -0.891 360.0 360.0-155.4 360.0 65.4 -3.3 71.8