==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE/RNA 29-FEB-00 1EIY . COMPND 2 MOLECULE: TRNA(PHE); . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS; . AUTHOR Y.GOLDGUR,L.MOSYAK,L.RESHETNIKOVA,V.ANKILOVA,M.SAFRO . 1130 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 52410.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 779 68.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 1.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 196 17.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 3 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 3 0.3 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 . 105 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 128 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 261 23.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 23 2.0 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 6 0 1 3 3 2 0 7 0 2 2 3 2 0 0 0 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 3 0 1 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 . 16 8 5 6 6 3 0 2 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 7 2 1 1 1 0 1 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 6 A L > 0 0 93 0, 0.0 4,-0.8 0, 0.0 5,-0.3 0.000 360.0 360.0 360.0 -70.8 10.0 2.1 -18.2 2 7 A A T 4 + 0 0 71 1,-0.2 4,-0.5 72,-0.1 69,-0.1 0.892 360.0 27.7 -59.3 -65.9 8.9 -0.9 -20.5 3 8 A A T > S+ 0 0 42 67,-0.2 4,-0.8 68,-0.1 -1,-0.2 0.561 112.5 68.5 -81.5 -8.3 11.1 -1.1 -23.7 4 9 A I H > S+ 0 0 62 67,-0.2 4,-1.6 2,-0.1 3,-0.2 0.995 104.3 28.2 -74.5 -68.9 14.3 0.5 -22.1 5 10 A Q H X S+ 0 0 123 -4,-0.8 4,-1.0 1,-0.2 5,-0.2 0.722 115.6 66.2 -68.1 -24.9 15.9 -1.8 -19.4 6 11 A N H > S+ 0 0 105 -4,-0.5 4,-1.0 -5,-0.3 -1,-0.2 0.935 112.8 27.8 -59.8 -56.5 14.5 -4.9 -21.3 7 12 A A H X S+ 0 0 14 -4,-0.8 4,-1.8 -3,-0.2 5,-0.2 0.686 113.0 64.9 -83.0 -22.6 16.6 -4.5 -24.4 8 13 A R H < S+ 0 0 87 -4,-1.6 4,-0.2 2,-0.2 -2,-0.2 0.759 112.8 36.9 -72.6 -23.9 19.6 -2.7 -22.7 9 14 A D H < S+ 0 0 96 -4,-1.0 4,-0.4 -5,-0.1 -2,-0.2 0.788 118.5 54.0 -88.0 -36.1 20.1 -6.0 -20.7 10 15 A L H < S+ 0 0 61 -4,-1.0 4,-0.4 2,-0.2 -2,-0.2 0.619 108.7 45.7 -71.2 -22.4 19.1 -7.7 -24.1 11 16 A E S X S+ 0 0 39 -4,-1.8 4,-1.4 2,-0.2 -1,-0.2 0.649 107.9 57.9 -90.8 -26.1 21.8 -5.8 -26.1 12 17 A E H > S+ 0 0 113 2,-0.3 4,-1.4 -5,-0.2 -2,-0.2 0.643 98.6 59.5 -72.9 -22.1 24.2 -6.7 -23.3 13 18 A L H 4 S+ 0 0 82 -4,-0.4 4,-0.3 -6,-0.2 -1,-0.2 0.869 107.1 45.8 -69.5 -39.9 23.2 -10.3 -24.2 14 19 A K H > S+ 0 0 68 -4,-0.4 4,-2.1 2,-0.3 -2,-0.3 0.816 108.6 54.0 -71.7 -32.1 24.7 -9.2 -27.6 15 20 A A H X S+ 0 0 58 -4,-1.4 4,-0.8 1,-0.2 -1,-0.2 0.842 114.3 41.8 -68.2 -31.3 27.7 -7.7 -25.8 16 21 A L H X S+ 0 0 79 -4,-1.4 4,-0.6 2,-0.2 -2,-0.3 0.547 110.4 59.2 -87.5 -13.7 28.0 -11.2 -24.2 17 22 A K H > S+ 0 0 96 -4,-0.3 4,-0.8 -6,-0.2 -2,-0.2 0.787 101.3 54.1 -84.2 -31.2 27.2 -12.5 -27.8 18 23 A A H X S+ 0 0 15 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.875 116.9 36.9 -70.0 -38.5 30.3 -10.7 -29.1 19 24 A R H X S+ 0 0 184 -4,-0.8 4,-0.5 2,-0.2 -2,-0.2 0.496 112.1 53.5 -95.5 -5.9 32.6 -12.5 -26.5 20 25 A Y H X S+ 0 0 164 -4,-0.6 4,-0.7 2,-0.1 -1,-0.2 0.640 125.4 32.4 -90.4 -21.3 31.0 -16.0 -26.3 21 26 A L H X S+ 0 0 60 -4,-0.8 4,-3.1 2,-0.2 5,-0.3 0.817 112.9 62.9 -94.5 -44.5 31.6 -15.7 -30.1 22 27 A G H X S+ 0 0 3 -4,-2.2 4,-1.6 -5,-0.2 -3,-0.2 0.777 105.1 47.9 -53.2 -34.2 34.7 -13.6 -29.7 23 28 A K H X S+ 0 0 122 -4,-0.5 4,-3.2 2,-0.2 3,-0.4 0.993 113.2 43.1 -73.7 -60.8 36.4 -16.5 -27.8 24 29 A K H < S+ 0 0 153 -4,-0.7 -2,-0.2 1,-0.3 -1,-0.1 0.845 122.0 44.2 -50.1 -39.4 35.5 -19.4 -30.3 25 30 A G H >X S+ 0 0 22 -4,-3.1 4,-0.9 1,-0.2 3,-0.6 0.829 119.0 40.1 -73.6 -39.0 36.4 -17.0 -33.1 26 31 A L H 3X S+ 0 0 70 -4,-1.6 4,-0.9 -3,-0.4 5,-0.3 0.631 107.9 66.2 -83.8 -14.8 39.6 -15.8 -31.3 27 32 A L H 3< S+ 0 0 86 -4,-3.2 -1,-0.2 3,-0.2 -2,-0.2 0.071 102.1 49.4 -92.4 17.8 40.3 -19.4 -30.2 28 33 A T H <> S+ 0 0 19 -3,-0.6 4,-2.5 -5,-0.2 5,-0.3 0.620 117.1 28.9-115.9 -69.0 40.9 -20.4 -33.9 29 34 A Q H X S+ 0 0 36 -4,-0.9 4,-0.5 1,-0.2 -2,-0.1 0.845 129.3 41.4 -66.5 -34.9 43.3 -17.9 -35.5 30 35 A E H < S+ 0 0 88 -4,-0.9 -1,-0.2 -5,-0.2 -3,-0.2 0.821 121.8 39.6 -83.0 -32.4 45.2 -17.1 -32.2 31 36 A M H 4 S+ 0 0 121 -5,-0.3 3,-0.2 1,-0.1 -2,-0.2 0.748 120.9 41.7 -88.0 -29.3 45.2 -20.8 -30.9 32 37 A K H < S+ 0 0 136 -4,-2.5 -3,-0.2 1,-0.2 -2,-0.1 0.580 132.5 21.1 -88.1 -17.9 46.0 -22.6 -34.3 33 38 A G < + 0 0 7 -4,-0.5 -1,-0.2 -5,-0.3 4,-0.2 -0.599 62.1 131.1-156.8 89.9 48.5 -19.9 -35.2 34 39 A L S S+ 0 0 141 -3,-0.2 3,-0.3 -2,-0.1 -3,-0.1 0.790 107.1 5.8 -93.8 -57.5 50.3 -17.5 -32.9 35 40 A S S S+ 0 0 112 1,-0.2 2,-0.5 -5,-0.1 -2,-0.1 0.756 140.3 49.1 -94.1 -31.7 53.8 -18.2 -34.3 36 41 A A S S+ 0 0 35 1,-0.2 -1,-0.2 2,-0.1 -2,-0.1 -0.650 79.8 89.6-113.9 65.2 52.5 -20.4 -37.2 37 42 A L S > S+ 0 0 27 -2,-0.5 3,-0.7 -3,-0.3 -1,-0.2 0.445 81.1 61.2-117.6 -41.0 49.6 -18.4 -38.8 38 43 A P T 3 S+ 0 0 79 0, 0.0 3,-0.1 0, 0.0 -2,-0.1 0.307 105.6 51.9 -72.9 15.9 51.8 -16.5 -41.4 39 44 A L T 3 S+ 0 0 130 2,-0.1 3,-0.2 1,-0.0 2,-0.1 0.580 108.0 49.9-114.1 -31.1 52.7 -20.1 -42.7 40 45 A E S < >S+ 0 0 87 -3,-0.7 5,-0.6 1,-0.2 4,-0.1 -0.389 80.5 145.2-104.9 46.3 49.0 -21.1 -43.1 41 46 A E T >5 + 0 0 99 -2,-0.1 4,-0.6 3,-0.1 2,-0.3 0.930 42.4 55.4 -55.5 -68.6 48.2 -17.9 -45.0 42 47 A R T 45S+ 0 0 198 -3,-0.2 2,-1.0 2,-0.1 -3,-0.0 -0.583 112.1 2.0 -86.5 143.6 45.5 -18.6 -47.7 43 48 A R T >>5S+ 0 0 184 -2,-0.3 4,-2.0 1,-0.2 3,-0.8 -0.704 129.6 46.8 95.1 -70.6 42.0 -20.1 -47.0 44 49 A K H 3>5S+ 0 0 106 -2,-1.0 4,-0.8 1,-0.2 5,-0.4 0.871 110.4 51.1 -66.1 -45.7 42.1 -20.5 -43.1 45 50 A R H 3<S+ 0 0 26 -3,-0.8 5,-1.0 3,-0.2 -2,-0.2 0.617 113.5 48.1-126.2 -30.3 40.7 -15.6 -44.5 47 52 A Q H <>S+ 0 0 108 -4,-2.0 5,-0.8 3,-0.1 4,-0.5 0.983 120.4 27.5 -76.3 -70.8 37.6 -17.8 -43.8 48 53 A E T <5S+ 0 0 76 -4,-0.8 -19,-0.2 3,-0.2 -3,-0.1 0.532 129.9 47.1 -72.9 -10.0 37.2 -18.0 -39.9 49 54 A L T >5S+ 0 0 8 -5,-0.4 4,-2.1 3,-0.1 3,-0.4 0.634 117.3 21.0 -94.0-108.9 39.0 -14.7 -39.7 50 55 A N H >5S+ 0 0 98 -5,-0.5 4,-1.0 1,-0.2 -3,-0.1 0.685 124.8 51.1 -27.7 -53.3 37.9 -11.7 -41.9 51 56 A A H 4>X S+ 0 0 66 -4,-1.0 4,-2.1 -3,-0.5 3,-0.5 0.614 98.0 61.2 -62.5 -11.2 32.5 -8.3 -39.4 55 60 A A H <>>S+ 0 0 45 -3,-2.0 4,-2.1 -4,-0.2 5,-0.6 0.903 93.5 63.8 -79.2 -39.9 29.5 -10.0 -37.5 56 61 A L H 3<5S+ 0 0 44 -4,-0.9 -1,-0.2 -3,-0.5 -2,-0.2 0.245 115.1 31.4 -68.6 13.0 31.2 -9.0 -34.2 57 62 A E H <>5S+ 0 0 121 -3,-0.5 4,-3.7 3,-0.1 5,-0.3 0.531 114.1 52.5-135.4 -51.4 30.7 -5.3 -35.3 58 63 A A H X5S+ 0 0 70 -4,-2.1 4,-0.7 1,-0.2 -3,-0.2 0.856 118.8 38.7 -61.8 -38.9 27.4 -5.1 -37.4 59 64 A A H X5S+ 0 0 52 -4,-2.1 4,-1.7 2,-0.2 -1,-0.2 0.717 117.2 51.7 -83.8 -27.1 25.4 -6.9 -34.6 60 65 A L H >X S+ 0 0 130 -4,-0.6 3,-1.0 -5,-0.2 4,-0.8 0.777 114.6 62.4-108.5 -39.5 22.1 1.5 -32.0 66 71 A A T 3< S+ 0 0 48 -4,-3.0 4,-0.2 1,-0.2 -3,-0.1 0.307 102.9 57.8 -74.8 13.7 18.8 -0.1 -33.0 67 72 A L T 3> S+ 0 0 5 2,-0.1 4,-1.7 -4,-0.1 5,-0.3 0.589 92.6 62.9-112.5 -28.0 17.8 0.1 -29.3 68 73 A E H <> S+ 0 0 71 -3,-1.0 4,-2.3 1,-0.2 5,-0.2 0.892 100.2 53.8 -69.7 -38.7 18.1 3.8 -28.7 69 74 A E H < S+ 0 0 101 -4,-0.8 -1,-0.2 1,-0.2 -2,-0.1 0.831 116.7 36.9 -65.2 -35.8 15.3 4.7 -31.3 70 75 A A H > S+ 0 0 55 -4,-0.2 4,-0.6 2,-0.1 -1,-0.2 0.721 122.3 42.6 -86.4 -33.4 12.7 2.4 -29.6 71 76 A A H >X S+ 0 0 8 -4,-1.7 3,-0.9 2,-0.2 4,-0.5 0.921 112.2 52.4 -79.3 -50.5 13.7 2.9 -25.9 72 77 A L H 3< S+ 0 0 110 -4,-2.3 4,-0.5 -5,-0.3 -3,-0.1 0.623 106.1 57.9 -62.7 -12.7 14.2 6.8 -26.2 73 78 A K H >> S+ 0 0 108 -5,-0.2 3,-0.7 1,-0.2 4,-0.7 0.843 95.0 63.7 -84.8 -32.8 10.7 6.8 -27.7 74 79 A E H > - 0 0 0 760,-0.1 3,-1.5 246,-0.1 4,-1.2 -0.940 31.6-117.5-108.4 142.9 11.6 44.0 6.8 97 102 A P H 3> S+ 0 0 0 0, 0.0 4,-2.0 0, 0.0 5,-0.1 0.632 112.3 59.0 -55.1 -19.3 11.2 47.5 5.6 98 103 A I H 3> S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.837 104.6 52.6 -80.0 -27.6 13.3 49.0 8.4 99 104 A T H <> S+ 0 0 3 -3,-1.5 4,-3.0 2,-0.2 5,-0.2 0.905 112.1 42.5 -71.7 -41.1 16.1 46.9 7.2 100 105 A L H X S+ 0 0 3 -4,-1.2 4,-2.7 2,-0.2 -2,-0.2 0.954 119.3 45.1 -64.4 -52.6 15.8 48.1 3.6 101 106 A M H X S+ 0 0 0 -4,-2.0 4,-1.6 2,-0.2 -2,-0.2 0.804 117.9 44.1 -59.7 -39.1 15.4 51.7 4.8 102 107 A E H X S+ 0 0 8 -4,-2.4 4,-1.8 2,-0.2 -2,-0.2 0.967 115.8 45.6 -73.0 -54.4 18.2 51.4 7.3 103 108 A R H X S+ 0 0 31 -4,-3.0 4,-2.1 1,-0.2 -2,-0.2 0.848 111.1 54.5 -58.9 -38.6 20.6 49.6 5.0 104 109 A E H X S+ 0 0 30 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.964 112.2 41.9 -64.0 -46.5 19.8 52.0 2.3 105 110 A L H X S+ 0 0 0 -4,-1.6 4,-1.2 1,-0.2 -1,-0.2 0.724 111.9 56.5 -67.3 -29.0 20.7 54.9 4.5 106 111 A V H X S+ 0 0 15 -4,-1.8 4,-1.9 2,-0.2 -1,-0.2 0.820 111.5 45.0 -69.9 -30.4 23.8 52.9 5.8 107 112 A E H X S+ 0 0 88 -4,-2.1 4,-2.7 -3,-0.2 -2,-0.2 0.890 104.3 59.3 -80.7 -42.9 24.9 52.7 2.1 108 113 A I H < S+ 0 0 18 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.943 116.9 34.5 -50.8 -45.4 24.3 56.2 1.2 109 114 A F H ><>S+ 0 0 0 -4,-1.2 5,-2.0 2,-0.2 3,-1.0 0.817 111.7 55.9 -83.9 -38.7 26.7 57.3 3.9 110 115 A R H ><5S+ 0 0 104 -4,-1.9 3,-2.6 1,-0.2 -1,-0.2 0.929 104.9 57.7 -54.4 -44.6 29.2 54.5 3.8 111 116 A A T 3<5S+ 0 0 87 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.631 102.9 56.2 -56.5 -19.4 29.5 55.5 0.0 112 117 A L T < 5S- 0 0 42 -3,-1.0 -1,-0.3 -5,-0.2 -2,-0.2 0.120 135.8 -88.3 -98.7 13.8 30.4 59.0 1.5 113 118 A G T < 5S+ 0 0 35 -3,-2.6 2,-0.3 1,-0.2 77,-0.3 0.602 82.3 142.9 89.6 14.8 33.3 57.5 3.5 114 119 A Y < - 0 0 9 -5,-2.0 2,-0.3 -7,-0.1 77,-0.3 -0.697 38.0-149.5 -97.5 145.4 31.3 56.6 6.7 115 120 A Q E -c 191 0B 37 75,-2.2 77,-2.7 -2,-0.3 2,-0.6 -0.778 13.1-136.5-106.2 145.5 31.7 53.6 9.0 116 121 A A E +c 192 0B 1 -2,-0.3 2,-0.3 75,-0.2 722,-0.3 -0.863 24.8 171.4-111.7 116.4 28.8 52.1 10.9 117 122 A V - 0 0 19 75,-0.8 2,-0.4 -2,-0.6 718,-0.1 -0.807 21.0-141.8-108.5 162.6 29.2 51.1 14.5 118 123 A E - 0 0 57 -2,-0.3 77,-0.1 75,-0.1 75,-0.1 -0.991 12.6-150.3-131.7 135.2 26.3 50.0 16.7 119 124 A G - 0 0 2 -2,-0.4 2,-0.1 75,-0.4 4,-0.1 -0.417 27.9 -82.1-102.2 174.6 25.7 50.7 20.4 120 125 A P - 0 0 25 0, 0.0 -1,-0.1 0, 0.0 51,-0.1 -0.433 25.1-148.3 -74.0 145.8 24.1 49.1 23.5 121 126 A E S S+ 0 0 11 1,-0.2 50,-2.2 -2,-0.1 2,-0.9 0.817 90.7 62.9 -79.8 -41.8 20.3 49.6 23.9 122 127 A V E S+K 170 0C 0 48,-0.2 48,-0.2 46,-0.0 -1,-0.2 -0.849 79.9 174.6 -89.2 103.7 20.4 49.6 27.6 123 128 A E E -K 169 0C 0 46,-1.4 46,-1.6 -2,-0.9 2,-0.3 -0.174 28.5-118.2 -99.2-167.8 22.5 52.7 28.4 124 129 A S E >> -K 168 0C 1 44,-0.2 3,-2.7 -2,-0.1 4,-0.5 -0.820 27.2-115.2-146.8 103.6 23.6 54.6 31.5 125 130 A E T 34 S+ 0 0 18 42,-1.8 6,-0.2 -2,-0.3 43,-0.1 0.419 112.5 57.0 1.5 -47.4 22.6 58.2 32.3 126 131 A F T 34>S+ 0 0 38 -2,-0.3 5,-3.1 4,-0.2 -1,-0.3 0.921 114.9 35.9 -62.4 -51.3 26.2 59.4 32.1 127 132 A F T <45S+ 0 0 2 -3,-2.7 3,-0.2 3,-0.2 -2,-0.2 0.909 120.2 49.9 -68.9 -46.5 26.8 58.1 28.6 128 133 A N T X5S- 0 0 0 -4,-0.5 4,-0.6 1,-0.3 3,-0.5 0.408 130.3 -7.2 -67.2-144.1 23.3 58.9 27.4 129 134 A F T 45S+ 0 0 0 1,-0.2 -1,-0.3 2,-0.1 2,-0.1 -0.361 128.0 53.4 -56.9 117.9 22.2 62.5 28.2 130 135 A D T >>5S+ 0 0 57 -2,-0.2 3,-1.1 -3,-0.2 4,-0.8 -0.622 102.0 52.3 157.3 -80.0 25.0 63.9 30.5 131 136 A A T 34> - 0 0 40 -3,-0.3 3,-3.0 -4,-0.1 4,-0.8 -0.975 66.5-136.4-122.0 123.5 17.4 70.8 32.8 139 144 A P T 34 S+ 0 0 18 0, 0.0 370,-0.1 0, 0.0 -3,-0.1 0.456 107.8 71.7 -59.1 3.2 14.4 71.5 30.6 140 145 A A T >4 S+ 0 0 0 -5,-0.2 3,-1.3 2,-0.2 4,-0.2 0.739 89.2 56.8 -82.1 -33.8 16.6 69.7 28.1 141 146 A R G X4 S+ 0 0 25 -3,-3.0 3,-1.1 -6,-0.3 5,-0.2 0.810 99.1 62.9 -64.4 -28.9 15.9 66.5 30.0 142 147 A D G 3< S+ 0 0 64 -4,-0.8 -1,-0.2 1,-0.2 -2,-0.2 0.446 87.0 70.9 -74.0 -8.6 12.2 67.3 29.3 143 148 A M G < S+ 0 0 70 -3,-1.3 2,-0.3 1,-0.1 -1,-0.2 0.594 102.9 44.2 -84.1 -12.0 12.8 67.0 25.5 144 149 A W S < S- 0 0 21 -3,-1.1 2,-0.7 -4,-0.2 55,-0.1 -0.962 76.9-140.7-131.5 142.3 13.2 63.1 25.8 145 150 A D - 0 0 71 -2,-0.3 55,-1.6 27,-0.1 2,-0.3 -0.797 25.4-149.2-110.1 95.6 11.0 60.7 27.9 146 151 A T - 0 0 7 -2,-0.7 2,-0.8 -5,-0.2 53,-0.1 -0.385 15.3-144.9 -75.7 131.4 13.2 58.0 29.6 147 152 A F - 0 0 0 51,-0.5 23,-1.5 23,-0.5 2,-0.5 -0.751 29.9-149.6 -84.0 113.3 12.3 54.5 30.5 148 153 A W B -L 169 0C 75 -2,-0.8 732,-3.2 21,-0.2 733,-0.5 -0.829 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-4,-1.6 -3,-0.2 1,-0.2 -4,-0.1 0.462 74.8 118.3 78.0 5.5 33.4 77.2 6.3 763 417 B T < - 0 0 20 -5,-0.6 -1,-0.2 -6,-0.2 55,-0.1 0.119 65.6-140.2 -89.4-159.3 32.4 80.8 5.4 764 418 B S + 0 0 104 -3,-0.1 3,-0.1 2,-0.1 -9,-0.1 -0.071 32.6 161.6-159.1 41.8 34.2 84.0 4.8 765 419 B Y - 0 0 16 -11,-0.1 -7,-0.1 1,-0.1 -2,-0.0 -0.515 45.7-111.7 -69.9 135.2 32.2 86.8 6.5 766 420 B P > - 0 0 69 0, 0.0 4,-1.6 0, 0.0 5,-0.1 -0.280 21.0-116.4 -65.1 157.4 34.4 89.8 6.9 767 421 B E H >> S+ 0 0 88 1,-0.2 4,-1.9 2,-0.2 3,-1.4 0.989 111.8 51.1 -51.7 -73.2 35.4 90.9 10.4 768 422 B A H 3> S+ 0 0 73 1,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.792 108.3 52.8 -30.7 -54.1 33.6 94.2 10.4 769 423 B E H 3> S+ 0 0 97 1,-0.2 4,-1.2 2,-0.2 -1,-0.3 0.891 110.7 46.7 -55.6 -47.7 30.4 92.7 9.3 770 424 B Q H X S+ 0 0 28 -4,-1.9 3,-2.3 1,-0.2 4,-2.1 0.982 105.7 50.4 -65.2 -69.8 31.3 92.7 14.8 772 426 B A H 3X S+ 0 0 41 -4,-1.9 4,-1.4 1,-0.3 -2,-0.2 0.713 101.9 63.6 -31.7 -43.2 28.1 94.7 13.9 773 427 B I H 3< S+ 0 0 15 -4,-1.2 -1,-0.3 2,-0.2 -2,-0.2 0.914 117.5 26.4 -52.2 -49.8 26.1 91.5 14.2 774 428 B L H X<>S+ 0 0 3 -3,-2.3 3,-3.0 -4,-1.2 5,-1.6 0.908 117.5 59.0 -79.2 -52.3 26.9 91.3 17.9 775 429 B K H 3<5S+ 0 0 130 -4,-2.1 -2,-0.2 1,-0.3 -3,-0.2 0.647 115.7 39.3 -52.9 -17.2 27.5 95.0 18.5 776 430 B R T 3<5S+ 0 0 89 -4,-1.4 -1,-0.3 -5,-0.4 -2,-0.2 0.105 100.8 68.1-119.7 13.7 23.9 95.4 17.3 777 431 B L T < 5S- 0 0 16 -3,-3.0 -2,-0.2 -252,-0.1 -3,-0.1 0.097 132.1 -95.8-103.9 3.3 22.6 92.3 19.1 778 432 B G T 5S+ 0 0 48 -4,-0.2 2,-0.2 1,-0.2 -3,-0.2 0.872 74.2 154.7 84.7 43.9 23.4 94.6 22.0 779 433 B C < - 0 0 20 -5,-1.6 2,-0.8 13,-0.1 -1,-0.2 -0.675 48.3-126.8-104.3 158.6 27.0 93.5 22.9 780 434 B R E -L 791 0O 166 11,-2.8 11,-3.1 -2,-0.2 2,-0.8 -0.915 29.6-175.5 -99.6 102.7 30.0 95.1 24.6 781 435 B V E +L 790 0O 23 -2,-0.8 2,-0.9 9,-0.2 9,-0.2 -0.847 9.2 169.5-101.7 91.2 32.8 94.4 22.1 782 436 B E + 0 0 83 7,-1.6 2,-0.3 -2,-0.8 -2,-0.1 -0.706 31.7 115.0-105.2 82.5 36.0 95.7 23.8 783 437 B G - 0 0 31 -2,-0.9 5,-0.2 1,-0.1 6,-0.1 -0.985 55.6-153.7-148.7 157.7 38.8 94.5 21.6 784 438 B E - 0 0 171 3,-0.5 4,-0.1 -2,-0.3 -1,-0.1 0.817 69.4 -84.3 -96.8 -33.6 41.5 95.6 19.4 785 439 B G S S+ 0 0 26 2,-0.9 3,-0.1 -31,-0.0 -1,-0.1 -0.163 97.9 58.3 107.8 152.3 41.6 92.4 17.4 786 440 B P S S+ 0 0 76 0, 0.0 2,-0.5 0, 0.0 -31,-0.2 -0.967 121.2 30.8 -72.3 -32.4 42.2 89.6 16.5 787 441 B T S S- 0 0 72 -34,-0.2 -2,-0.9 1,-0.1 -3,-0.5 -0.839 76.6-173.9 -88.6 130.9 40.7 88.2 19.8 788 442 B Y - 0 0 23 -36,-2.6 -36,-0.2 -37,-0.8 -6,-0.1 0.726 18.4-139.5-101.3 -31.0 38.0 90.6 20.9 789 443 B R - 0 0 115 -38,-3.4 -7,-1.6 -37,-0.2 2,-0.4 0.944 22.9-160.5 66.0 91.9 36.5 89.8 24.3 790 444 B V E -KL 750 781O 0 -40,-2.9 -40,-3.2 -9,-0.2 -9,-0.2 -0.870 13.2-153.5-108.7 140.4 32.7 90.4 24.2 791 445 B T E - L 0 780O 28 -11,-3.1 -11,-2.8 -2,-0.4 -42,-0.2 -0.947 22.0-139.1-113.8 115.2 30.3 90.9 27.1 792 446 B P - 0 0 4 0, 0.0 -13,-0.1 0, 0.0 -14,-0.1 -0.322 27.7 -94.1 -69.3 152.0 26.7 89.8 26.3 793 447 B P > - 0 0 24 0, 0.0 3,-2.0 0, 0.0 -14,-0.1 -0.372 42.6-104.5 -65.7 156.2 23.7 91.8 27.3 794 448 B S T 3 S+ 0 0 31 1,-0.3 -80,-0.1 -81,-0.1 -81,-0.0 0.628 115.6 58.9 -51.2 -28.1 22.1 90.7 30.6 795 449 B H T 3 S+ 0 0 28 -84,-0.2 2,-1.4 1,-0.1 -1,-0.3 0.591 82.8 87.1 -84.3 -12.5 19.2 88.9 29.0 796 450 B R X + 0 0 11 -3,-2.0 3,-0.8 1,-0.2 -1,-0.1 -0.636 39.1 154.7 -93.0 84.0 21.2 86.5 27.0 797 451 B L T 3 + 0 0 47 -2,-1.4 -1,-0.2 1,-0.2 -287,-0.1 0.890 68.4 70.1 -73.8 -35.6 21.8 83.6 29.3 798 452 B D T 3 S+ 0 0 18 -289,-0.5 2,-0.8 -3,-0.3 -1,-0.2 0.574 82.6 84.5 -57.2 -10.0 22.2 81.3 26.3 799 453 B L < + 0 0 10 -3,-0.8 -1,-0.2 1,-0.2 -3,-0.1 -0.720 45.0 121.8-104.6 83.3 25.6 83.1 25.5 800 454 B R + 0 0 164 -2,-0.8 -1,-0.2 -53,-0.1 2,-0.1 0.847 64.5 45.0 -97.7 -70.5 28.4 81.5 27.7 801 455 B L S >> S- 0 0 41 -3,-0.2 3,-0.9 -51,-0.1 4,-0.7 -0.314 84.5-110.1 -79.5 170.8 31.0 80.2 25.2 802 456 B E H >> S+ 0 0 17 1,-0.3 4,-1.1 2,-0.2 3,-0.5 0.823 118.5 60.2 -64.9 -36.6 32.7 81.7 22.1 803 457 B E H 3> S+ 0 0 26 2,-0.3 4,-1.7 1,-0.2 -1,-0.3 0.687 94.7 60.7 -63.6 -28.3 30.8 79.2 20.0 804 458 B D H <4 S+ 0 0 15 -3,-0.9 -1,-0.2 1,-0.2 -2,-0.2 0.851 105.2 52.1 -70.0 -29.9 27.4 80.6 21.3 805 459 B L H XX S+ 0 0 0 -4,-0.7 3,-1.2 -3,-0.5 4,-1.1 0.843 101.7 57.4 -73.3 -39.4 28.7 83.7 19.7 806 460 B V H >X S+ 0 0 0 -4,-1.1 4,-2.4 1,-0.3 3,-1.6 0.982 104.0 51.6 -62.6 -48.6 29.4 82.0 16.3 807 461 B E H 3< S+ 0 0 10 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.608 105.1 60.7 -64.2 -1.0 25.8 80.8 15.9 808 462 B E H X> S+ 0 0 1 -3,-1.2 4,-0.9 -5,-0.1 3,-0.5 0.803 107.9 40.8 -91.5 -33.3 24.9 84.4 16.6 809 463 B V H - 0 0 17 -5,-0.2 3,-0.7 1,-0.1 -2,-0.2 -0.101 3.6-116.3 117.6 136.8 21.7 83.3 7.8 815 469 B Y G > S+ 0 0 7 -442,-0.3 3,-0.7 -567,-0.3 -1,-0.1 0.454 114.6 73.6 -74.9 -6.4 22.2 79.6 7.9 816 470 B E G 3 S+ 0 0 104 1,-0.2 -1,-0.2 -5,-0.1 -2,-0.0 -0.052 86.7 58.1 -97.3 30.3 21.6 80.1 4.3 817 471 B T G < S+ 0 0 69 -3,-0.7 -1,-0.2 2,-0.1 -2,-0.1 0.161 75.6 101.3-136.0 9.4 24.9 81.7 3.7 818 472 B I S < S- 0 0 4 -3,-0.7 -56,-0.1 -55,-0.1 -55,-0.1 -0.899 73.4-136.0 -96.3 118.8 27.1 78.8 4.9 819 473 B P - 0 0 62 0, 0.0 2,-0.3 0, 0.0 -589,-0.3 -0.265 16.1-101.0 -75.4 163.1 28.2 77.2 1.6 820 474 B L + 0 0 73 -591,-0.2 2,-0.3 -590,-0.1 -593,-0.2 -0.656 51.1 154.8 -86.1 142.3 28.3 73.4 0.8 821 475 B A - 0 0 37 -595,-1.6 -591,-0.6 -2,-0.3 -590,-0.4 -0.965 29.1-139.9-161.2 156.4 31.6 71.7 1.0 822 476 B L - 0 0 106 -2,-0.3 2,-0.3 -592,-0.2 -595,-0.1 -0.900 19.3-120.8-123.3 149.2 32.9 68.2 1.6 823 477 B P - 0 0 25 0, 0.0 2,-0.4 0, 0.0 -601,-0.0 -0.642 16.0-162.0 -91.5 150.1 35.8 67.0 3.6 824 478 B A + 0 0 98 -2,-0.3 2,-0.3 2,-0.0 -2,-0.0 -0.988 29.8 142.5-125.9 132.1 38.7 64.9 2.2 825 479 B F - 0 0 43 -2,-0.4 -605,-0.0 -637,-0.0 0, 0.0 -0.940 52.9-115.6-173.0 153.8 40.9 63.0 4.7 826 480 B F - 0 0 193 -2,-0.3 -2,-0.0 -637,-0.0 0, 0.0 -0.860 45.4-130.1 -93.4 114.0 42.9 59.9 5.7 827 481 B P - 0 0 33 0, 0.0 -638,-0.2 0, 0.0 -607,-0.0 -0.165 30.2 -90.9 -61.5 157.8 41.1 58.3 8.7 828 482 B A >> - 0 0 10 -640,-2.3 3,-1.5 -642,-0.3 4,-1.0 -0.549 38.9-115.5 -71.3 142.4 43.1 57.5 11.8 829 483 B P G >4 S+ 0 0 105 0, 0.0 3,-0.5 0, 0.0 -1,-0.1 0.788 110.0 53.8 -44.7 -46.2 44.5 53.9 11.7 830 484 B D G 34 S+ 0 0 69 1,-0.2 4,-0.1 -643,-0.1 -2,-0.0 0.725 102.9 56.6 -68.2 -24.7 42.5 52.5 14.7 831 485 B N G X4 S+ 0 0 2 -3,-1.5 3,-1.6 -643,-0.2 2,-0.5 0.767 83.0 107.4 -75.6 -26.0 39.1 53.6 13.3 832 486 B R T << S+ 0 0 145 -4,-1.0 -643,-0.0 -3,-0.5 -717,-0.0 -0.425 84.3 14.7 -61.8 106.7 39.9 51.6 10.1 833 487 B G T > S+ 0 0 41 -2,-0.5 3,-2.6 3,-0.0 -1,-0.2 0.149 75.8 127.2 117.6 -9.3 37.7 48.4 10.1 834 488 B V T < + 0 0 21 -3,-1.6 4,-0.4 1,-0.3 -2,-0.1 0.561 69.3 65.6 -54.1 -12.6 35.0 49.1 12.7 835 489 B E T 3> S+ 0 0 17 1,-0.2 4,-2.9 2,-0.1 -1,-0.3 0.646 80.5 83.0 -82.0 -24.9 32.3 48.3 10.2 836 490 B A H <> S+ 0 0 63 -3,-2.6 4,-2.2 2,-0.2 5,-0.2 0.894 87.2 49.0 -50.0 -51.7 33.3 44.7 9.9 837 491 B P H > S+ 0 0 82 0, 0.0 4,-1.2 0, 0.0 -1,-0.2 0.950 115.2 48.7 -59.0 -40.2 31.5 43.4 12.9 838 492 B Y H >> S+ 0 0 9 -4,-0.4 4,-2.1 -722,-0.3 3,-1.2 0.960 107.7 49.2 -61.3 -62.9 28.4 45.1 11.7 839 493 B R H 3X S+ 0 0 100 -4,-2.9 4,-3.6 1,-0.3 5,-0.3 0.881 105.8 59.8 -47.4 -42.7 28.4 44.0 8.1 840 494 B K H 3X S+ 0 0 76 -4,-2.2 4,-1.1 1,-0.2 -1,-0.3 0.884 108.9 44.3 -57.2 -33.6 28.9 40.4 9.2 841 495 B E H S+ 0 0 0 -4,-2.0 5,-1.5 -5,-0.2 4,-0.8 0.777 113.6 45.3 -60.2 -23.0 18.7 34.2 6.4 849 503 B S H <5S+ 0 0 12 -4,-0.8 -2,-0.2 -3,-0.4 -1,-0.2 0.870 111.9 42.3 -87.6 -53.2 16.4 35.9 3.9 850 504 B G H <5S+ 0 0 70 -4,-2.7 -3,-0.2 1,-0.2 -2,-0.2 0.860 109.3 67.5 -64.2 -29.9 17.3 34.5 0.5 851 505 B L H <5S- 0 0 41 -4,-2.3 -760,-0.2 -5,-0.3 -2,-0.2 0.935 128.5 -90.6 -53.1 -51.5 17.5 31.2 2.5 852 506 B G T <5S+ 0 0 1 -4,-0.8 2,-0.4 1,-0.2 -759,-0.3 0.508 82.2 126.0 146.2 19.5 13.7 31.3 3.0 853 507 B F < - 0 0 0 -5,-1.5 -759,-1.1 -761,-0.2 2,-0.6 -0.893 50.2-138.3-109.6 131.5 13.0 33.2 6.3 854 508 B Q E -ab 94 916A 12 61,-2.8 63,-1.5 -2,-0.4 -759,-0.2 -0.745 28.0-123.8 -90.6 116.2 10.7 36.1 6.6 855 509 B E E - b 0 917A 0 -761,-2.5 2,-0.3 -2,-0.6 63,-0.2 -0.349 29.5-172.8 -62.1 131.7 12.1 38.8 8.9 856 510 B V - 0 0 4 61,-2.3 63,-0.4 -760,-0.1 2,-0.4 -0.891 11.6-156.7-124.7 152.6 10.1 39.9 11.9 857 511 B Y - 0 0 6 -527,-0.4 -524,-0.5 -2,-0.3 2,-0.3 -0.994 16.2-178.4-128.2 126.2 10.8 42.7 14.4 858 512 B T - 0 0 9 -2,-0.4 -526,-0.1 1,-0.1 40,-0.1 -0.881 34.6 -92.2-124.4 159.4 9.2 42.5 17.9 859 513 B Y - 0 0 52 -528,-0.3 -1,-0.1 -2,-0.3 38,-0.1 -0.139 26.5-131.2 -61.8 165.8 9.3 44.9 20.8 860 514 B S S S+ 0 0 0 2,-0.1 31,-2.9 27,-0.0 2,-0.4 0.387 77.4 103.8 -98.9 -1.6 12.1 44.3 23.4 861 515 B F E -N 890 0D 22 29,-0.3 2,-0.3 30,-0.0 29,-0.3 -0.693 53.6-166.1 -83.1 138.9 9.6 44.5 26.3 862 516 B M E -N 889 0D 9 27,-3.6 27,-1.9 -2,-0.4 26,-0.3 -0.839 22.2-123.5-121.5 144.2 8.6 41.3 27.9 863 517 B D > - 0 0 11 -2,-0.3 3,-0.9 24,-0.2 4,-0.5 -0.844 21.8-130.5 -88.5 134.9 5.7 40.8 30.2 864 518 B P T > S+ 0 0 42 0, 0.0 3,-1.9 0, 0.0 4,-0.3 0.933 101.6 75.3 -48.5 -38.4 7.0 39.4 33.5 865 519 B E T >> S+ 0 0 39 1,-0.3 3,-2.0 2,-0.2 4,-0.9 0.797 79.6 67.0 -38.5 -54.0 4.2 36.9 33.1 866 520 B D H <> S+ 0 0 4 -3,-0.9 4,-3.4 1,-0.3 5,-0.4 0.741 77.8 80.1 -46.9 -34.2 5.9 34.8 30.3 867 521 B A H <4>S+ 0 0 18 -3,-1.9 5,-2.8 -4,-0.5 -1,-0.3 0.858 104.3 36.4 -42.4 -41.1 8.6 33.6 32.6 868 522 B R H X45S+ 0 0 171 -3,-2.0 3,-1.3 -4,-0.3 -1,-0.2 0.956 116.4 50.5 -80.2 -49.3 6.1 31.0 33.9 869 523 B R H 3<5S+ 0 0 54 -4,-0.9 -2,-0.2 1,-0.3 -1,-0.2 0.903 122.1 34.1 -54.5 -44.0 4.2 30.3 30.6 870 524 B F T 3<5S- 0 0 2 -4,-3.4 -1,-0.3 -5,-0.1 -2,-0.2 0.297 107.5-127.4 -94.6 5.0 7.5 29.7 28.7 871 525 B R T < 5 + 0 0 93 -3,-1.3 2,-0.3 -5,-0.4 -3,-0.2 0.904 57.6 143.7 48.9 53.2 9.2 28.2 31.8 872 526 B L < - 0 0 15 -5,-2.8 -1,-0.2 -6,-0.2 -2,-0.1 -0.823 58.4 -78.3-123.1 159.0 12.2 30.4 31.7 873 527 B D - 0 0 67 -2,-0.3 3,-0.1 1,-0.1 19,-0.1 -0.294 65.5 -87.6 -51.0 136.5 14.6 32.1 34.2 874 528 B P - 0 0 96 0, 0.0 -1,-0.1 0, 0.0 -8,-0.0 -0.148 54.3 -84.6 -52.0 134.2 13.0 35.4 35.8 875 529 B P - 0 0 25 0, 0.0 49,-0.1 0, 0.0 16,-0.1 -0.059 31.5-151.0 -44.8 132.3 13.5 38.8 33.9 876 530 B R S S+ 0 0 67 47,-0.6 2,-0.4 14,-0.2 -724,-0.3 0.823 77.7 33.3 -74.7 -43.8 16.8 40.5 34.8 877 531 B L - 0 0 2 46,-0.4 13,-1.4 13,-0.3 2,-0.3 -0.936 65.3-171.6-118.4 148.7 15.7 44.1 34.3 878 532 B L E -MO 150 889D 74 -728,-3.5 -728,-2.4 -2,-0.4 11,-0.3 -0.892 27.2-108.7-132.1 160.1 12.3 45.7 35.0 879 533 B L E -M 149 0D 12 9,-3.5 -730,-0.2 -2,-0.3 -732,-0.0 -0.630 6.6-149.9 -94.6 150.8 11.0 49.1 34.1 880 534 B L S S+ 0 0 108 -732,-3.2 -1,-0.1 -2,-0.3 -731,-0.1 0.712 101.6 23.2 -86.5 -19.0 10.4 51.8 36.6 881 535 B N S S- 0 0 38 -733,-0.5 -1,-0.2 7,-0.1 -732,-0.1 -0.309 86.0-170.9-141.1 54.0 7.7 53.3 34.5 882 536 B P - 0 0 47 0, 0.0 6,-0.2 0, 0.0 4,-0.0 0.042 30.0-128.3 -46.5 152.4 6.4 50.5 32.2 883 537 B L S S- 0 0 57 4,-0.9 5,-0.1 1,-0.3 3,-0.0 0.672 93.1 -9.7 -73.4 -22.3 4.0 51.3 29.4 884 538 B A S > S- 0 0 18 3,-0.2 3,-2.4 1,-0.0 -1,-0.3 -0.909 78.0-100.3-170.2 150.9 1.7 48.5 30.7 885 539 B P G > S+ 0 0 100 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