==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-AUG-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PROTEIN BINDING 28-APR-11 3RQE . COMPND 2 MOLECULE: PROGRAMMED CELL DEATH PROTEIN 10; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR X.LI,R.ZHANG,T.J.BOGGON . 782 10 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 41964.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 668 85.4 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 . 16 2.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 123 15.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 520 66.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.0 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 5 4 0 0 2 3 1 4 0 1 2 2 1 5 1 2 0 1 2 3 0 2 1 1 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 15 A T 0 0 156 0, 0.0 2,-0.3 0, 0.0 648,-0.0 0.000 360.0 360.0 360.0 30.9 3.9 -13.9 47.0 2 16 A S - 0 0 67 653,-0.0 3,-0.2 0, 0.0 650,-0.1 -0.955 360.0-117.3-164.9 177.6 0.5 -15.1 45.6 3 17 A M > + 0 0 23 -2,-0.3 3,-2.4 1,-0.2 40,-0.0 0.008 61.1 126.1-125.6 26.4 -2.2 -14.4 43.1 4 18 A V T 3 S+ 0 0 70 1,-0.3 42,-0.3 2,-0.1 39,-0.2 0.776 86.4 50.8 -42.7 -30.6 -5.4 -13.6 45.0 5 19 A S T >> S+ 0 0 31 -3,-0.2 3,-1.4 1,-0.2 4,-0.9 0.396 76.2 104.9 -95.3 2.8 -5.1 -10.4 42.8 6 20 A M H X> S+ 0 0 12 -3,-2.4 4,-3.4 1,-0.3 3,-1.2 0.887 75.4 56.5 -53.2 -45.9 -4.7 -12.0 39.4 7 21 A P H 3>>S+ 0 0 3 0, 0.0 4,-2.2 0, 0.0 5,-1.9 0.756 97.0 66.2 -64.3 -18.6 -8.3 -11.4 38.2 8 22 A L H <4>S+ 0 0 4 -3,-1.4 5,-2.2 3,-0.2 -2,-0.2 0.919 116.7 25.2 -62.8 -40.8 -7.7 -7.7 38.8 9 23 A Y H <<5S+ 0 0 38 -3,-1.2 -1,-0.2 -4,-0.9 -3,-0.1 0.844 127.3 47.1 -91.3 -35.0 -5.2 -7.6 36.1 10 24 A A H <5S+ 0 0 3 -4,-3.4 -2,-0.2 -5,-0.2 -1,-0.1 0.777 131.3 11.8 -80.9 -27.8 -6.4 -10.6 34.0 11 25 A V T X5S+ 0 0 1 -4,-2.2 4,-2.0 -5,-0.3 -3,-0.2 0.764 129.1 39.2-113.0 -64.6 -10.1 -9.6 34.0 12 26 A M H > S+ 0 0 2 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.852 112.2 58.2 -61.3 -28.5 -8.7 -5.6 30.2 15 29 A V H X S+ 0 0 0 -4,-2.0 4,-0.7 2,-0.2 -2,-0.2 0.974 113.1 36.6 -62.3 -55.4 -12.4 -4.8 30.8 16 30 A F H >X S+ 0 0 2 -4,-2.8 4,-2.2 1,-0.2 3,-1.1 0.917 115.7 55.7 -61.5 -46.3 -11.7 -1.1 31.5 17 31 A N H 3< S+ 0 0 2 -4,-3.2 4,-0.3 -5,-0.3 -1,-0.2 0.876 108.8 49.2 -47.6 -41.8 -9.0 -1.1 28.8 18 32 A E H 3< S+ 0 0 11 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.576 109.7 48.1 -85.5 -10.8 -11.6 -2.4 26.4 19 33 A L H X< S+ 0 0 4 -3,-1.1 3,-4.3 -4,-0.7 -1,-0.2 0.891 80.1 103.0 -84.4 -46.0 -14.4 0.1 27.2 20 34 A E T 3< S+ 0 0 12 -4,-2.2 -2,-0.1 1,-0.3 -1,-0.1 0.422 75.7 57.3 -8.7 -48.9 -12.1 3.1 27.0 21 35 A R T 3 S+ 0 0 183 -4,-0.3 -1,-0.3 1,-0.2 3,-0.2 0.854 103.8 55.7 -59.2 -35.2 -13.3 4.1 23.5 22 36 A V S < S- 0 0 88 -3,-4.3 2,-0.3 1,-0.3 -1,-0.2 0.981 137.3 -21.6 -57.5 -65.0 -16.9 4.3 25.1 23 37 A N > - 0 0 40 1,-0.1 4,-1.3 215,-0.0 -1,-0.3 -0.874 59.4-162.8-153.3 122.8 -15.9 6.8 27.8 24 38 A L H > S+ 0 0 54 -2,-0.3 4,-2.2 -3,-0.2 -4,-0.1 0.855 83.3 53.8 -73.3 -42.4 -12.3 7.3 28.9 25 39 A S H > S+ 0 0 59 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.822 109.7 46.0 -73.6 -33.0 -12.6 9.0 32.3 26 40 A A H > S+ 0 0 1 2,-0.2 4,-3.0 1,-0.2 5,-0.3 0.949 110.1 54.4 -71.9 -52.4 -15.0 6.5 33.9 27 41 A A H X S+ 0 0 0 -4,-1.3 4,-2.2 1,-0.2 -2,-0.2 0.922 113.3 45.4 -36.9 -52.7 -12.9 3.7 32.7 28 42 A Q H X S+ 0 0 42 -4,-2.2 4,-2.5 1,-0.2 5,-0.2 0.958 111.5 49.0 -62.8 -51.8 -10.0 5.5 34.5 29 43 A T H X S+ 0 0 87 -4,-2.6 4,-1.7 1,-0.2 -1,-0.2 0.849 115.1 45.2 -62.5 -33.7 -11.9 6.3 37.8 30 44 A L H X S+ 0 0 1 -4,-3.0 4,-3.1 2,-0.2 5,-0.3 0.916 109.2 53.3 -75.7 -45.3 -13.1 2.8 38.2 31 45 A R H X S+ 0 0 17 -4,-2.2 4,-2.9 -5,-0.3 -2,-0.2 0.978 113.4 46.4 -46.3 -59.5 -9.7 1.1 37.4 32 46 A A H X S+ 0 0 55 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.853 111.5 52.9 -49.2 -44.7 -8.4 3.4 40.1 33 47 A A H X S+ 0 0 17 -4,-1.7 4,-2.5 -5,-0.2 5,-0.2 0.975 112.8 40.6 -57.0 -59.1 -11.3 2.4 42.3 34 48 A F H X S+ 0 0 3 -4,-3.1 4,-2.4 1,-0.2 5,-0.2 0.869 113.4 57.6 -60.9 -37.1 -10.8 -1.4 42.0 35 49 A I H X S+ 0 0 37 -4,-2.9 4,-2.0 -5,-0.3 -1,-0.2 0.924 110.4 40.8 -60.2 -47.3 -7.1 -0.9 42.2 36 50 A K H X S+ 0 0 131 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.907 116.0 50.1 -69.1 -41.3 -7.3 0.9 45.6 37 51 A A H X S+ 0 0 12 -4,-2.5 4,-1.4 1,-0.2 -1,-0.2 0.800 111.6 48.4 -68.5 -31.9 -9.9 -1.5 47.0 38 52 A E H < S+ 0 0 3 -4,-2.4 -1,-0.2 -5,-0.2 6,-0.2 0.903 105.6 58.1 -73.7 -40.4 -7.9 -4.5 45.9 39 53 A K H < S+ 0 0 170 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.911 116.6 34.5 -55.3 -44.4 -4.7 -3.1 47.5 40 54 A E H < S+ 0 0 116 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.729 129.5 35.7 -80.5 -26.1 -6.5 -2.9 50.9 41 55 A N S >< S- 0 0 37 -4,-1.4 3,-3.0 -5,-0.2 4,-0.3 -0.511 76.3-161.5-132.7 65.4 -8.6 -6.0 50.4 42 56 A P T 3 S+ 0 0 81 0, 0.0 -37,-0.1 0, 0.0 -3,-0.1 -0.219 84.2 28.5 -46.4 130.5 -6.7 -8.7 48.5 43 57 A G T 3> S+ 0 0 12 -39,-0.2 4,-2.1 -40,-0.0 3,-0.3 0.039 90.7 107.2 101.8 -23.3 -9.3 -11.2 47.1 44 58 A L H <> S+ 0 0 16 -3,-3.0 4,-2.5 1,-0.2 5,-0.2 0.899 75.2 51.0 -55.4 -48.5 -12.0 -8.5 46.9 45 59 A T H > S+ 0 0 2 -4,-0.3 4,-2.4 1,-0.2 -1,-0.2 0.874 110.4 50.3 -57.9 -39.0 -12.0 -8.2 43.1 46 60 A Q H > S+ 0 0 22 -42,-0.3 4,-3.1 -3,-0.3 -1,-0.2 0.917 109.6 48.1 -70.4 -46.6 -12.3 -11.9 42.7 47 61 A D H X S+ 0 0 76 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.893 112.7 52.2 -56.1 -43.5 -15.3 -12.3 45.1 48 62 A I H X S+ 0 0 5 -4,-2.5 4,-2.0 -5,-0.2 -2,-0.2 0.906 111.0 45.1 -61.5 -43.7 -16.8 -9.3 43.2 49 63 A I H X S+ 0 0 2 -4,-2.4 4,-2.8 2,-0.2 -2,-0.2 0.920 111.9 53.2 -65.9 -42.8 -16.3 -11.0 39.8 50 64 A M H X S+ 0 0 8 -4,-3.1 4,-1.8 1,-0.2 -2,-0.2 0.885 108.2 49.6 -61.5 -38.9 -17.7 -14.3 41.2 51 65 A K H X S+ 0 0 49 -4,-2.2 4,-0.5 2,-0.2 -1,-0.2 0.930 110.2 50.4 -68.0 -42.7 -20.8 -12.6 42.4 52 66 A I H >< S+ 0 0 4 -4,-2.0 3,-2.0 1,-0.2 -2,-0.2 0.957 109.1 51.7 -55.3 -48.5 -21.4 -10.9 39.1 53 67 A L H >< S+ 0 0 18 -4,-2.8 3,-1.8 1,-0.3 -1,-0.2 0.886 101.7 62.2 -58.7 -33.8 -21.0 -14.3 37.4 54 68 A E H 3< S+ 0 0 110 -4,-1.8 3,-0.3 1,-0.3 -1,-0.3 0.644 97.7 59.5 -64.8 -14.7 -23.6 -15.8 39.8 55 69 A K T XX + 0 0 60 -3,-2.0 4,-2.1 -4,-0.5 3,-0.5 0.298 62.6 124.0-102.8 8.6 -26.1 -13.4 38.4 56 70 A K H <> S+ 0 0 40 -3,-1.8 4,-2.5 1,-0.2 -1,-0.2 0.729 70.5 59.7 -33.6 -34.5 -25.9 -14.6 34.8 57 71 A S H 3> S+ 0 0 98 -3,-0.3 4,-3.4 2,-0.2 -1,-0.2 0.981 107.0 40.9 -66.7 -62.0 -29.7 -15.2 34.8 58 72 A V H <> S+ 0 0 57 -3,-0.5 4,-3.6 1,-0.2 -2,-0.2 0.909 116.9 52.5 -43.4 -52.6 -30.8 -11.7 35.6 59 73 A E H X S+ 0 0 3 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.863 110.6 45.2 -60.1 -41.7 -28.2 -10.6 33.2 60 74 A V H X S+ 0 0 31 -4,-2.5 4,-2.4 -5,-0.2 -2,-0.2 0.949 112.3 51.8 -66.4 -50.9 -29.4 -12.8 30.4 61 75 A N H X S+ 0 0 101 -4,-3.4 4,-1.8 1,-0.2 -2,-0.2 0.945 111.8 49.1 -47.8 -52.0 -33.0 -11.9 31.1 62 76 A F H X S+ 0 0 10 -4,-3.6 4,-2.0 1,-0.2 3,-0.3 0.940 108.1 50.9 -58.6 -50.0 -31.9 -8.2 30.8 63 77 A T H X S+ 0 0 4 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.901 107.9 54.1 -55.2 -38.8 -30.0 -8.6 27.5 64 78 A E H X S+ 0 0 32 -4,-2.4 4,-2.8 1,-0.2 -1,-0.2 0.908 107.7 51.8 -57.5 -43.5 -33.1 -10.3 26.0 65 79 A S H X S+ 0 0 34 -4,-1.8 4,-2.8 -3,-0.3 -2,-0.2 0.896 107.7 49.1 -62.3 -48.4 -35.1 -7.3 27.0 66 80 A L H X S+ 0 0 22 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.954 112.2 51.4 -52.0 -51.6 -32.8 -4.7 25.4 67 81 A L H X S+ 0 0 0 -4,-2.3 4,-0.7 1,-0.2 3,-0.3 0.960 111.5 44.8 -53.3 -53.6 -32.9 -6.8 22.3 68 82 A R H >< S+ 0 0 84 -4,-2.8 3,-0.7 1,-0.3 4,-0.4 0.907 116.8 48.1 -57.4 -36.3 -36.7 -6.9 22.3 69 83 A M H 3< S+ 0 0 72 -4,-2.8 -1,-0.3 1,-0.2 -2,-0.2 0.827 95.5 74.6 -70.2 -30.6 -36.6 -3.2 23.0 70 84 A A H 3< S+ 0 0 14 -4,-2.6 4,-0.3 -3,-0.3 -1,-0.2 0.701 93.2 54.6 -64.6 -23.0 -34.1 -2.6 20.3 71 85 A A S << S+ 0 0 5 -3,-0.7 3,-0.5 -4,-0.7 -2,-0.1 0.931 72.0 92.3 -68.7 -95.0 -36.7 -3.0 17.5 72 86 A D S S- 0 0 98 -4,-0.4 17,-0.0 1,-0.2 -4,-0.0 0.402 102.3 -83.9 -21.5 111.5 -39.7 -0.7 18.0 73 87 A D - 0 0 96 1,-0.1 2,-0.5 16,-0.0 -1,-0.2 0.119 44.4-155.8 -30.8 101.0 -38.7 2.4 16.0 74 88 A V - 0 0 91 -3,-0.5 -1,-0.1 -4,-0.3 -4,-0.0 -0.748 28.1-111.6 -83.0 129.8 -36.5 4.6 18.0 75 89 A E 0 0 178 -2,-0.5 -1,-0.1 1,-0.1 0, 0.0 0.011 360.0 360.0 -60.0 168.8 -36.7 8.2 16.6 76 90 A E 0 0 204 111,-0.0 -1,-0.1 0, 0.0 -2,-0.0 -0.737 360.0 360.0 78.8 360.0 -33.7 9.9 14.9 77 ! 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 78 97 A E >> 0 0 127 0, 0.0 3,-1.7 0, 0.0 4,-1.3 0.000 360.0 360.0 360.0 153.7 -38.7 10.1 -2.4 79 98 A P H 3> + 0 0 96 0, 0.0 4,-1.7 0, 0.0 0, 0.0 0.753 360.0 36.2 -56.2 -28.2 -40.1 6.5 -2.9 80 99 A E H 34 S+ 0 0 93 2,-0.2 0, 0.0 3,-0.2 0, 0.0 0.195 103.4 69.7-113.3 12.7 -36.7 5.0 -1.8 81 100 A F H <4 S+ 0 0 107 -3,-1.7 4,-0.2 3,-0.1 -1,-0.1 0.640 120.9 22.3 -79.5 -28.6 -36.0 7.6 0.8 82 101 A Q H >< S+ 0 0 142 -4,-1.3 3,-1.0 2,-0.1 4,-0.4 0.808 119.0 58.2-104.1 -49.1 -39.0 5.9 2.6 83 102 A D T 3< S+ 0 0 81 -4,-1.7 4,-0.3 -5,-0.3 -3,-0.2 0.331 99.5 63.3 -76.7 7.9 -39.1 2.4 1.0 84 103 A L T >> S+ 0 0 13 2,-0.1 4,-1.0 1,-0.1 3,-0.9 0.802 92.7 63.5 -81.8 -43.3 -35.5 1.8 2.2 85 104 A N H <> S+ 0 0 57 -3,-1.0 4,-2.8 1,-0.2 -2,-0.2 0.610 90.9 65.6 -61.0 -18.4 -36.7 2.1 5.8 86 105 A E H 3> S+ 0 0 105 -4,-0.4 4,-3.9 2,-0.2 -1,-0.2 0.929 100.7 48.2 -68.7 -48.5 -38.9 -1.0 5.6 87 106 A K H <> S+ 0 0 58 -3,-0.9 4,-1.3 -4,-0.3 -2,-0.2 0.747 115.9 46.2 -63.8 -28.6 -35.8 -3.3 5.1 88 107 A A H X S+ 0 0 3 -4,-1.0 4,-2.7 2,-0.2 3,-0.4 0.969 114.9 45.7 -68.8 -69.0 -34.2 -1.6 8.1 89 108 A R H X S+ 0 0 111 -4,-2.8 4,-2.0 1,-0.2 -2,-0.2 0.846 115.2 48.6 -34.2 -53.5 -37.4 -1.8 10.1 90 109 A A H X S+ 0 0 42 -4,-3.9 4,-2.1 2,-0.2 -1,-0.2 0.887 111.6 47.5 -64.6 -42.6 -37.9 -5.5 9.1 91 110 A L H X S+ 0 0 0 -4,-1.3 4,-2.6 -3,-0.4 5,-0.2 0.968 112.2 49.6 -60.9 -53.5 -34.3 -6.5 9.9 92 111 A K H X S+ 0 0 13 -4,-2.7 4,-1.6 1,-0.2 -2,-0.2 0.871 110.7 53.5 -49.2 -40.4 -34.4 -4.8 13.3 93 112 A Q H X S+ 0 0 66 -4,-2.0 4,-1.0 -5,-0.3 -1,-0.2 0.879 108.4 45.2 -69.4 -41.9 -37.7 -6.6 13.9 94 113 A I H >X S+ 0 0 43 -4,-2.1 4,-0.7 1,-0.2 3,-0.7 0.938 113.6 51.6 -67.1 -41.6 -36.5 -10.2 13.2 95 114 A L H >< S+ 0 0 0 -4,-2.6 3,-0.7 1,-0.3 -2,-0.2 0.853 107.1 52.9 -61.3 -35.6 -33.4 -9.5 15.3 96 115 A S H 3< S+ 0 0 6 -4,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.731 104.7 56.2 -78.1 -21.6 -35.5 -8.3 18.2 97 116 A K H X< S+ 0 0 101 -4,-1.0 3,-2.2 -3,-0.7 4,-0.4 0.666 78.7 97.0 -77.7 -18.7 -37.6 -11.4 18.1 98 117 A I G XX S+ 0 0 0 -4,-0.7 3,-2.9 -3,-0.7 4,-2.3 0.814 71.8 63.5 -45.4 -47.0 -34.6 -13.8 18.5 99 118 A P G 34 S+ 0 0 4 0, 0.0 4,-0.4 0, 0.0 -1,-0.3 0.784 107.1 43.4 -53.4 -29.0 -34.9 -14.2 22.3 100 119 A D G <4 S+ 0 0 103 -3,-2.2 -2,-0.2 1,-0.1 -3,-0.1 0.352 117.8 44.6-102.6 7.2 -38.3 -15.9 22.0 101 120 A E T X4 S+ 0 0 57 -3,-2.9 3,-1.0 -4,-0.4 7,-0.3 0.649 93.3 77.2-110.7 -27.3 -37.3 -18.1 19.0 102 121 A I T 3< S+ 0 0 3 -4,-2.3 2,-0.2 1,-0.3 6,-0.1 0.806 81.1 65.5 -59.5 -39.1 -33.9 -19.4 20.1 103 122 A N T 3 S+ 0 0 142 -4,-0.4 2,-0.3 1,-0.1 -1,-0.3 0.137 96.7 63.5 -76.9 22.7 -35.0 -22.1 22.6 104 123 A D S <> S- 0 0 80 -3,-1.0 4,-2.5 -2,-0.2 5,-0.3 -0.832 73.0-151.7-151.9 103.9 -36.7 -24.1 19.8 105 124 A R H > S+ 0 0 142 -2,-0.3 4,-1.7 1,-0.2 -1,-0.1 0.763 91.8 44.3 -53.1 -41.1 -34.4 -25.6 17.1 106 125 A V H > S+ 0 0 99 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.943 115.6 44.3 -71.8 -50.1 -37.0 -25.7 14.2 107 126 A R H > S+ 0 0 163 1,-0.2 4,-1.4 2,-0.2 -2,-0.2 0.833 118.2 47.3 -68.2 -28.3 -38.5 -22.2 14.7 108 127 A F H X S+ 0 0 2 -4,-2.5 4,-2.2 -7,-0.3 -1,-0.2 0.788 104.8 59.4 -77.2 -33.3 -35.0 -20.9 15.2 109 128 A L H X S+ 0 0 86 -4,-1.7 4,-1.4 -5,-0.3 -2,-0.2 0.937 111.2 43.0 -51.0 -46.9 -33.9 -22.9 12.1 110 129 A Q H X S+ 0 0 101 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.842 107.8 60.1 -71.9 -35.5 -36.6 -20.7 10.4 111 130 A T H X S+ 0 0 3 -4,-1.4 4,-1.9 2,-0.2 -1,-0.2 0.931 103.9 48.5 -57.2 -51.2 -35.5 -17.6 12.2 112 131 A I H X S+ 0 0 46 -4,-2.2 4,-3.7 1,-0.2 3,-0.3 0.923 108.8 53.8 -59.1 -48.4 -32.0 -17.6 10.8 113 132 A K H X S+ 0 0 109 -4,-1.4 4,-3.2 1,-0.2 -1,-0.2 0.908 110.3 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52 D E H < S+ 0 0 3 -4,-3.2 -1,-0.2 1,-0.2 6,-0.2 0.923 109.0 53.6 -64.1 -47.5 16.4 2.9 27.6 633 53 D K H < S+ 0 0 181 -4,-3.1 -1,-0.2 -5,-0.3 -2,-0.2 0.882 114.6 42.8 -45.0 -45.8 18.0 5.6 25.4 634 54 D E H < S+ 0 0 112 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.773 133.8 14.1 -81.8 -30.5 15.4 8.1 26.7 635 55 D N S >< S- 0 0 81 -4,-2.3 3,-1.1 -5,-0.2 -1,-0.3 -0.609 82.5-153.4-143.7 82.5 15.4 7.2 30.4 636 56 D P T 3 S+ 0 0 70 0, 0.0 -37,-0.1 0, 0.0 -3,-0.1 -0.240 79.8 43.5 -66.4 146.3 18.4 5.1 31.3 637 57 D G T 3> S+ 0 0 9 -39,-0.1 4,-1.8 -41,-0.1 5,-0.1 0.238 84.3 110.7 100.1 -7.7 18.1 2.7 34.2 638 58 D L H <> S+ 0 0 8 -3,-1.1 4,-2.2 2,-0.2 5,-0.2 0.921 73.6 47.6 -67.3 -46.7 14.7 1.8 32.9 639 59 D T H > S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.940 109.7 54.1 -61.2 -44.5 15.6 -1.7 31.8 640 60 D Q H > S+ 0 0 20 -42,-0.4 4,-2.0 1,-0.2 -1,-0.2 0.887 107.9 51.7 -57.5 -35.8 17.2 -2.3 35.2 641 61 D D H X S+ 0 0 88 -4,-1.8 4,-1.9 1,-0.2 -1,-0.2 0.915 108.9 48.8 -70.6 -38.4 13.9 -1.2 36.8 642 62 D I H X S+ 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4,-2.0 1,-0.2 -2,-0.3 0.833 108.6 51.7 -62.3 -37.5 6.0 -16.7 38.6 654 74 D V H X S+ 0 0 37 -4,-3.0 4,-1.9 -5,-0.2 -1,-0.2 0.929 109.9 48.9 -68.2 -44.5 6.9 -20.0 40.0 655 75 D N H X S+ 0 0 65 -4,-3.0 4,-2.6 1,-0.2 5,-0.3 0.962 110.8 51.7 -53.6 -50.3 3.4 -20.8 41.2 656 76 D F H X S+ 0 0 7 -4,-2.6 4,-2.8 -5,-0.3 -1,-0.2 0.876 106.4 52.1 -58.9 -39.8 2.1 -19.9 37.8 657 77 D T H X S+ 0 0 0 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.940 112.2 45.5 -64.9 -45.7 4.5 -22.1 35.9 658 78 D E H X S+ 0 0 22 -4,-1.9 4,-2.8 1,-0.2 -1,-0.2 0.922 112.7 50.9 -59.1 -50.7 3.6 -25.2 38.0 659 79 D S H X S+ 0 0 2 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.887 107.9 52.6 -52.7 -45.3 -0.1 -24.4 37.7 660 80 D L H X S+ 0 0 26 -4,-2.8 4,-0.9 -5,-0.3 -1,-0.2 0.899 109.9 50.2 -62.5 -35.8 0.3 -24.1 34.0 661 81 D L H >< S+ 0 0 0 -4,-2.0 3,-0.6 1,-0.2 4,-0.2 0.915 108.9 49.8 -68.1 -43.1 1.9 -27.5 34.0 662 82 D R H >< S+ 0 0 7 -4,-2.8 3,-1.0 1,-0.2 -1,-0.2 0.874 109.0 53.8 -60.1 -35.5 -0.9 -29.0 36.1 663 83 D M H >X S+ 0 0 10 -4,-2.2 3,-2.1 1,-0.3 4,-0.6 0.685 80.6 88.4 -76.0 -22.4 -3.5 -27.6 33.6 664 84 D A G X< S+ 0 0 7 -4,-0.9 3,-0.6 -3,-0.6 -1,-0.3 0.718 74.5 78.1 -45.7 -22.3 -1.8 -29.2 30.6 665 85 D A G <4 S+ 0 0 12 -3,-1.0 -1,-0.3 -4,-0.2 -2,-0.1 0.826 87.9 50.8 -57.5 -41.0 -4.1 -32.1 31.5 666 86 D D G X4 S+ 0 0 50 -3,-2.1 2,-1.2 1,-0.2 3,-0.5 0.706 97.5 72.0 -75.6 -21.5 -7.2 -30.5 29.9 667 87 D D T << + 0 0 69 -3,-0.6 -1,-0.2 -4,-0.6 20,-0.0 -0.753 58.5 112.3 -99.7 85.1 -5.4 -29.8 26.7 668 88 D V T 3 S+ 0 0 41 -2,-1.2 -1,-0.2 19,-0.0 16,-0.1 0.400 77.1 49.6-136.8 -20.5 -5.2 -33.3 25.4 669 89 D E S < S+ 0 0 174 -3,-0.5 -2,-0.1 15,-0.1 -3,-0.0 0.655 80.7 134.9 -81.9 -26.4 -7.6 -32.9 22.5 670 90 D E 0 0 73 -4,-0.1 107,-0.1 1,-0.1 -3,-0.1 0.052 360.0 360.0 -38.8 107.0 -5.6 -29.8 21.6 671 91 D Y 0 0 128 107,-0.0 -1,-0.1 0, 0.0 -4,-0.0 0.977 360.0 360.0 67.5 360.0 -5.1 -30.0 17.8 672 ! 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 0.0 673 97 D E > 0 0 137 0, 0.0 4,-2.5 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 143.5 -7.0 -43.4 10.1 674 98 D P H > + 0 0 95 0, 0.0 4,-1.7 0, 0.0 5,-0.2 0.969 360.0 43.6 -59.7 -65.0 -5.0 -46.0 12.2 675 99 D E H > S+ 0 0 43 1,-0.2 4,-1.2 2,-0.2 48,-0.1 0.747 116.4 51.6 -63.2 -24.8 -1.4 -44.8 12.1 676 100 D F H >> S+ 0 0 64 2,-0.2 4,-2.1 1,-0.1 3,-1.2 0.981 104.6 55.4 -62.4 -64.6 -2.8 -41.3 12.8 677 101 D Q H 3< S+ 0 0 135 -4,-2.5 4,-0.3 1,-0.3 -2,-0.2 0.743 107.1 51.5 -39.4 -37.1 -4.9 -42.5 15.8 678 102 D D H 3X S+ 0 0 57 -4,-1.7 4,-3.0 2,-0.2 -1,-0.3 0.886 112.4 44.6 -71.5 -43.2 -1.7 -43.9 17.3 679 103 D L H S+ 0 0 50 -5,-0.4 4,-2.4 -4,-0.3 -2,-0.2 0.912 107.4 47.6 -97.6 -60.2 -2.7 -40.9 21.1 682 106 D K H X S+ 0 0 62 -4,-3.0 4,-1.0 1,-0.2 35,-0.3 0.670 113.3 57.9 -59.5 -13.1 0.9 -41.5 22.2 683 107 D A H >X S+ 0 0 0 -4,-1.7 4,-2.0 -5,-0.2 3,-0.8 0.962 103.6 47.2 -73.6 -62.3 0.9 -37.7 22.1 684 108 D R H 3X S+ 0 0 114 -4,-0.8 4,-2.1 1,-0.3 -2,-0.2 0.856 110.1 57.2 -43.7 -40.3 -1.9 -37.2 24.5 685 109 D A H 3X S+ 0 0 33 -4,-2.4 4,-1.8 2,-0.2 -1,-0.3 0.891 103.9 49.9 -65.3 -40.4 -0.2 -39.7 26.7 686 110 D L H < S+ 0 0 34 -4,-1.8 3,-2.2 2,-0.2 4,-0.5 0.977 112.5 48.2 -69.2 -55.8 2.5 -37.7 32.1 690 114 D L H >< S+ 0 0 0 -4,-2.4 3,-1.6 1,-0.3 -2,-0.2 0.870 107.7 57.5 -51.7 -40.6 4.3 -34.4 32.1 691 115 D S T 3< S+ 0 0 1 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.624 101.5 55.7 -69.6 -13.4 1.2 -32.8 33.6 692 116 D K T X> S+ 0 0 40 -3,-2.2 4,-1.7 -4,-0.4 3,-1.1 0.494 80.8 96.9 -91.3 -1.8 1.4 -35.2 36.5 693 117 D I H <> S+ 0 0 0 -3,-1.6 4,-2.1 -4,-0.5 3,-0.3 0.902 74.6 58.9 -51.0 -49.7 5.0 -34.1 37.2 694 118 D P H 34 S+ 0 0 2 0, 0.0 4,-0.3 0, 0.0 -1,-0.3 0.810 110.1 45.1 -53.8 -29.2 4.1 -31.5 39.9 695 119 D D H <4 S+ 0 0 60 -3,-1.1 3,-0.3 1,-0.2 -2,-0.2 0.842 118.5 40.8 -77.8 -37.5 2.4 -34.4 41.9 696 120 D E H >< S+ 0 0 48 -4,-1.7 3,-1.0 -3,-0.3 7,-0.4 0.600 94.3 81.9 -88.7 -12.4 5.3 -36.9 41.4 697 121 D I T 3< S+ 0 0 8 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.1 0.775 80.9 62.3 -72.0 -26.8 8.3 -34.5 41.9 698 122 D N T 3 S+ 0 0 139 -3,-0.3 -1,-0.2 -4,-0.3 2,-0.1 0.706 94.6 77.8 -69.8 -19.4 8.3 -34.5 45.7 699 123 D D S < S- 0 0 76 -3,-1.0 4,-0.2 -4,-0.1 5,-0.1 -0.390 72.5-130.9-100.6 162.7 9.0 -38.2 46.1 700 124 D R S > S+ 0 0 205 3,-0.1 4,-1.6 -2,-0.1 -1,-0.1 0.989 101.5 10.7 -64.9 -78.7 12.0 -40.7 45.8 701 125 D V H > S+ 0 0 69 2,-0.2 4,-3.9 1,-0.2 5,-0.3 0.902 119.1 65.3 -77.7 -47.3 10.6 -43.5 43.6 702 126 D R H > S+ 0 0 160 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.901 111.0 41.0 -44.4 -48.3 7.3 -42.0 42.3 703 127 D F H > S+ 0 0 3 -7,-0.4 4,-2.8 2,-0.2 -1,-0.2 0.934 112.7 53.3 -65.9 -49.3 9.4 -39.5 40.5 704 128 D L H X S+ 0 0 94 -4,-1.6 4,-1.8 2,-0.2 -2,-0.2 0.922 112.4 46.2 -48.3 -50.3 12.1 -42.0 39.4 705 129 D Q H >X S+ 0 0 100 -4,-3.9 4,-3.8 1,-0.2 3,-0.6 0.967 110.0 52.8 -55.4 -54.8 9.3 -44.1 38.0 706 130 D T H 3X S+ 0 0 10 -4,-2.7 4,-2.2 -5,-0.3 -2,-0.2 0.839 105.0 56.0 -53.6 -37.5 7.7 -41.1 36.3 707 131 D I H 3X S+ 0 0 33 -4,-2.8 4,-2.4 2,-0.2 -1,-0.3 0.905 112.4 41.2 -63.7 -41.6 11.1 -40.3 34.7 708 132 D K H X S+ 0 0 48 -4,-2.6 3,-1.2 1,-0.2 4,-1.1 0.938 106.9 50.4 -44.9 -54.5 8.9 -40.5 18.6 719 143 D D H 3X S+ 0 0 95 -4,-2.6 4,-0.9 1,-0.3 3,-0.3 0.866 105.3 55.6 -55.0 -43.4 8.3 -43.9 17.0 720 144 D T H 3< S+ 0 0 6 -4,-1.5 -1,-0.3 1,-0.2 -41,-0.2 0.654 97.7 63.7 -69.7 -17.7 4.7 -43.1 16.0 721 145 D V H XX S+ 0 0 14 -3,-1.2 4,-3.2 -4,-1.2 3,-2.0 0.943 103.8 46.6 -66.2 -48.9 5.9 -40.1 14.1 722 146 D N H 3X S+ 0 0 47 -4,-1.1 4,-1.3 -3,-0.3 -2,-0.2 0.715 101.4 66.9 -64.7 -22.5 7.8 -42.4 11.8 723 147 D N H 3< S+ 0 0 41 -4,-0.9 -1,-0.3 1,-0.2 -2,-0.2 0.489 114.7 30.4 -72.6 -5.0 4.5 -44.5 11.7 724 148 D V H X> S+ 0 0 7 -3,-2.0 4,-1.5 3,-0.1 3,-0.5 0.620 124.8 44.9-119.6 -38.6 3.2 -41.4 9.8 725 149 D F H 3< S+ 0 0 63 -4,-3.2 2,-2.0 1,-0.2 3,-0.3 0.992 116.1 45.5 -65.4 -66.4 6.3 -40.2 8.1 726 150 D K T 3< S+ 0 0 133 -4,-1.3 -1,-0.2 1,-0.2 -4,-0.1 -0.396 122.2 36.3 -81.0 60.5 7.5 -43.6 6.9 727 151 D K T <4 0 0 137 -2,-2.0 -1,-0.2 -3,-0.5 -2,-0.2 0.104 360.0 360.0-169.1 -38.1 4.0 -44.7 5.6 728 152 D Y < 0 0 148 -4,-1.5 -1,-0.5 -3,-0.3 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