==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-MAY-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 22-JUL-10 3O2R . COMPND 2 MOLECULE: RIBONUCLEASE III; . SOURCE 2 ORGANISM_SCIENTIFIC: CAMPYLOBACTER JEJUNI SUBSP. JEJUNI; . AUTHOR G.MINASOV,A.HALAVATY,L.SHUVALOVA,I.DUBROVSKA,J.WINSOR,L.PAPA . 574 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25257.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 443 77.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 1.4 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 . 20 3.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 69 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 326 56.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 2.8 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 0 4 0 6 2 0 4 4 0 0 0 4 0 0 0 4 0 0 4 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 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 N >> 0 0 141 0, 0.0 3,-1.7 0, 0.0 4,-0.9 0.000 360.0 360.0 360.0 -35.8 -19.7 34.0 -43.0 2 4 A I H 3> + 0 0 39 1,-0.3 4,-2.2 2,-0.2 3,-0.3 0.815 360.0 65.5 -55.1 -33.8 -17.5 31.0 -41.9 3 5 A E H 3> S+ 0 0 91 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.811 94.2 59.6 -58.9 -32.4 -20.4 29.8 -39.7 4 6 A K H <> S+ 0 0 147 -3,-1.7 4,-2.0 2,-0.2 -1,-0.2 0.910 105.6 47.6 -61.1 -45.6 -22.4 29.1 -42.9 5 7 A L H X S+ 0 0 0 -4,-0.9 4,-2.5 -3,-0.3 5,-0.2 0.935 110.9 50.8 -62.8 -44.4 -19.6 26.7 -44.1 6 8 A E H X>S+ 0 0 1 -4,-2.2 5,-2.0 1,-0.2 4,-0.9 0.885 109.0 51.8 -58.5 -38.0 -19.6 25.0 -40.7 7 9 A Q H <5S+ 0 0 147 -4,-2.1 3,-0.3 1,-0.2 -1,-0.2 0.894 110.8 47.8 -64.8 -42.2 -23.4 24.6 -41.0 8 10 A S H <5S+ 0 0 40 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.849 114.0 46.7 -66.6 -38.0 -22.9 23.0 -44.5 9 11 A L H <5S- 0 0 0 -4,-2.5 -1,-0.2 2,-0.2 -2,-0.2 0.638 101.8-134.8 -75.5 -15.3 -20.2 20.7 -43.1 10 12 A T T <5S+ 0 0 63 -4,-0.9 2,-0.3 -3,-0.3 -3,-0.2 0.867 74.5 108.5 52.4 38.4 -22.3 19.8 -40.1 11 13 A Y < - 0 0 13 -5,-2.0 2,-0.6 -6,-0.2 -2,-0.2 -0.949 58.9-154.2-147.5 124.6 -19.1 20.3 -38.2 12 14 A E - 0 0 96 -2,-0.3 2,-0.1 -3,-0.1 -9,-0.0 -0.869 23.7-129.0-103.0 116.5 -18.2 23.1 -35.8 13 15 A F - 0 0 4 -2,-0.6 3,-0.2 1,-0.1 107,-0.0 -0.387 11.3-159.7 -65.2 137.0 -14.4 23.8 -35.5 14 16 A K S S+ 0 0 136 1,-0.3 2,-0.8 -2,-0.1 -1,-0.1 0.915 94.7 38.5 -77.2 -49.7 -12.8 24.0 -32.1 15 17 A D S >> S- 0 0 81 1,-0.1 4,-0.9 2,-0.0 3,-0.9 -0.876 73.3-169.5-102.8 102.8 -9.8 26.0 -33.5 16 18 A K H 3> S+ 0 0 77 -2,-0.8 4,-2.0 1,-0.2 3,-0.3 0.837 83.4 62.8 -61.7 -33.4 -11.3 28.4 -36.2 17 19 A N H 3> S+ 0 0 111 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.772 95.7 60.4 -63.4 -26.9 -7.7 29.2 -37.5 18 20 A L H <> S+ 0 0 19 -3,-0.9 4,-2.2 2,-0.2 -1,-0.2 0.908 105.4 47.1 -67.0 -42.6 -7.3 25.6 -38.5 19 21 A L H X S+ 0 0 0 -4,-0.9 4,-1.4 -3,-0.3 -2,-0.2 0.923 111.0 52.4 -63.6 -44.5 -10.3 25.9 -40.9 20 22 A I H >< S+ 0 0 59 -4,-2.0 3,-0.6 1,-0.2 4,-0.3 0.939 107.8 52.5 -52.6 -49.2 -8.8 29.2 -42.2 21 23 A H H >< S+ 0 0 52 -4,-2.6 3,-1.5 1,-0.3 -1,-0.2 0.914 107.1 50.8 -55.6 -46.8 -5.6 27.4 -42.8 22 24 A A H 3< S+ 0 0 0 -4,-2.2 -1,-0.3 1,-0.3 94,-0.2 0.766 109.8 52.2 -61.8 -27.4 -7.4 24.7 -44.8 23 25 A L T << S+ 0 0 2 -4,-1.4 69,-2.7 -3,-0.6 2,-0.9 0.389 85.2 106.2 -88.6 -0.0 -9.1 27.4 -46.9 24 26 A T B < -a 92 0A 2 -3,-1.5 10,-2.4 -4,-0.3 11,-0.2 -0.719 60.2-149.6 -94.6 104.2 -5.8 29.1 -47.7 25 27 A H > - 0 0 11 67,-2.4 3,-2.1 -2,-0.9 4,-0.4 -0.350 28.2-109.4 -66.2 150.3 -4.7 28.6 -51.3 26 28 A K T 3 S+ 0 0 114 1,-0.3 6,-0.1 2,-0.1 -1,-0.1 0.634 114.0 62.9 -59.3 -18.6 -0.9 28.6 -52.0 27 29 A S T 3 S+ 0 0 41 65,-0.2 -1,-0.3 1,-0.1 66,-0.1 0.656 91.0 72.1 -74.6 -18.3 -1.1 32.0 -53.8 28 30 A F S < S+ 0 0 96 -3,-2.1 2,-0.3 64,-0.3 -2,-0.1 0.922 103.0 0.5 -74.5 -50.2 -2.3 33.9 -50.7 29 31 A K S > S- 0 0 135 3,-0.5 3,-1.6 -4,-0.4 -1,-0.2 -0.997 76.2 -99.5-150.6 135.9 0.5 34.2 -48.2 30 32 A K T 3 S- 0 0 183 -2,-0.3 -3,-0.1 1,-0.3 -4,-0.0 -0.248 101.1 -1.7 -60.4 136.4 4.2 33.2 -48.1 31 33 A S T 3 S+ 0 0 116 -5,-0.1 2,-0.3 1,-0.1 -1,-0.3 0.593 114.3 88.1 58.3 19.6 4.9 30.0 -46.1 32 34 A Y < + 0 0 85 -3,-1.6 -3,-0.5 -6,-0.1 2,-0.3 -0.857 51.2 120.0-146.4 110.0 1.3 29.4 -45.0 33 35 A N - 0 0 38 -2,-0.3 3,-0.4 -5,-0.1 4,-0.3 -0.935 66.5 -97.5-157.5 179.0 -1.1 27.4 -47.1 34 36 A N S > S+ 0 0 6 -10,-2.4 4,-2.5 -2,-0.3 5,-0.2 0.344 85.8 102.1 -88.5 8.2 -3.4 24.4 -47.2 35 37 A E H > S+ 0 0 62 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.890 83.1 45.5 -66.9 -41.1 -1.0 22.0 -49.1 36 38 A R H > S+ 0 0 49 -3,-0.4 4,-2.2 2,-0.2 -1,-0.2 0.928 115.0 48.0 -66.1 -43.6 0.1 20.0 -46.0 37 39 A L H > S+ 0 0 4 -4,-0.3 4,-3.1 2,-0.2 -2,-0.2 0.872 109.5 54.1 -63.4 -36.3 -3.5 19.7 -44.7 38 40 A E H X S+ 0 0 31 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.917 107.7 50.7 -62.0 -43.8 -4.5 18.6 -48.3 39 41 A F H X S+ 0 0 7 -4,-2.0 4,-1.6 2,-0.2 -2,-0.2 0.946 113.9 43.8 -58.1 -48.9 -1.9 15.8 -48.1 40 42 A L H X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.942 114.2 49.7 -63.0 -47.9 -3.2 14.6 -44.7 41 43 A G H X S+ 0 0 0 -4,-3.1 4,-2.9 1,-0.2 -1,-0.2 0.840 105.2 57.0 -62.8 -34.8 -6.8 14.9 -45.8 42 44 A D H X S+ 0 0 44 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.911 108.8 47.3 -62.4 -41.3 -6.2 12.9 -49.0 43 45 A A H X S+ 0 0 1 -4,-1.6 4,-1.6 2,-0.2 149,-0.2 0.906 111.8 50.3 -65.4 -40.8 -4.8 10.1 -46.8 44 46 A V H X S+ 0 0 0 -4,-2.2 4,-2.9 1,-0.2 3,-0.2 0.951 112.3 47.4 -59.9 -48.9 -7.8 10.3 -44.5 45 47 A L H X S+ 0 0 4 -4,-2.9 4,-2.8 1,-0.2 5,-0.3 0.873 106.5 56.1 -65.1 -37.3 -10.2 10.2 -47.5 46 48 A D H X S+ 0 0 30 -4,-2.3 4,-2.1 -5,-0.2 -1,-0.2 0.884 113.7 42.0 -61.8 -36.4 -8.5 7.2 -49.1 47 49 A L H X S+ 0 0 0 -4,-1.6 4,-2.9 -3,-0.2 5,-0.3 0.911 113.4 51.6 -75.1 -44.9 -9.0 5.3 -45.8 48 50 A V H X S+ 0 0 0 -4,-2.9 4,-2.2 1,-0.2 -2,-0.2 0.954 119.1 36.9 -55.0 -52.4 -12.6 6.5 -45.3 49 51 A V H X S+ 0 0 1 -4,-2.8 4,-2.5 2,-0.2 5,-0.3 0.915 115.3 53.4 -70.7 -40.3 -13.6 5.5 -48.8 50 52 A G H X S+ 0 0 0 -4,-2.1 4,-2.3 -5,-0.3 -2,-0.2 0.918 114.1 43.0 -59.2 -43.9 -11.4 2.3 -48.9 51 53 A E H X S+ 0 0 18 -4,-2.9 4,-2.2 2,-0.2 5,-0.3 0.918 111.6 53.9 -67.1 -45.7 -13.0 1.1 -45.6 52 54 A Y H X S+ 0 0 51 -4,-2.2 4,-2.4 -5,-0.3 -2,-0.2 0.930 114.7 41.3 -53.6 -48.3 -16.6 2.1 -46.7 53 55 A L H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.877 107.6 60.4 -69.5 -41.1 -16.2 0.1 -49.9 54 56 A F H < S+ 0 0 17 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 0.921 115.8 35.2 -52.1 -46.6 -14.5 -2.8 -48.2 55 57 A H H >< S+ 0 0 106 -4,-2.2 3,-0.6 1,-0.2 -2,-0.2 0.891 117.4 50.9 -74.8 -41.4 -17.6 -3.3 -46.1 56 58 A K H 3< S+ 0 0 80 -4,-2.4 2,-0.3 1,-0.3 -2,-0.2 0.770 119.8 36.3 -70.4 -27.2 -20.2 -2.3 -48.7 57 59 A F T >< S+ 0 0 38 -4,-2.4 3,-1.2 -5,-0.2 -1,-0.3 -0.630 70.8 167.9-125.5 68.3 -18.8 -4.7 -51.3 58 60 A A T < S+ 0 0 69 -3,-0.6 -1,-0.1 -2,-0.3 -2,-0.1 0.654 77.6 44.4 -61.2 -19.7 -17.8 -7.6 -49.1 59 61 A K T 3 S+ 0 0 152 -3,-0.1 -1,-0.3 2,-0.1 2,-0.1 0.547 86.5 113.6 -98.2 -16.9 -17.3 -9.9 -52.2 60 62 A D < - 0 0 27 -3,-1.2 -3,-0.1 -7,-0.2 2,-0.1 -0.330 62.8-127.4 -71.0 139.0 -15.4 -7.5 -54.5 61 63 A A >> - 0 0 53 1,-0.1 4,-2.4 -2,-0.1 3,-0.6 -0.325 33.7 -98.1 -73.5 162.5 -11.8 -8.1 -55.4 62 64 A E H 3> S+ 0 0 74 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.871 123.2 57.2 -50.9 -43.5 -9.2 -5.4 -55.0 63 65 A G H 3> S+ 0 0 40 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.902 110.4 43.9 -56.5 -41.5 -9.4 -4.3 -58.6 64 66 A D H <> S+ 0 0 77 -3,-0.6 4,-2.3 2,-0.2 -2,-0.2 0.892 112.9 50.5 -74.1 -40.1 -13.2 -3.6 -58.2 65 67 A L H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.909 110.7 51.3 -60.4 -42.2 -12.7 -1.9 -54.9 66 68 A S H X S+ 0 0 32 -4,-3.0 4,-2.5 -5,-0.2 -2,-0.2 0.901 109.2 49.4 -64.7 -39.4 -10.1 0.3 -56.5 67 69 A K H X S+ 0 0 124 -4,-1.8 4,-1.4 -5,-0.2 -1,-0.2 0.927 112.2 48.0 -65.4 -44.1 -12.3 1.3 -59.4 68 70 A L H X S+ 0 0 38 -4,-2.3 4,-0.8 1,-0.2 -2,-0.2 0.910 111.7 50.6 -62.5 -40.7 -15.2 2.2 -57.0 69 71 A R H >X S+ 0 0 41 -4,-2.6 4,-3.3 1,-0.2 3,-1.1 0.929 107.2 52.7 -63.3 -41.5 -12.7 4.2 -54.9 70 72 A A H 3< S+ 0 0 59 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.810 102.9 60.1 -62.5 -28.7 -11.5 6.1 -58.0 71 73 A A H 3< S+ 0 0 40 -4,-1.4 -1,-0.3 -3,-0.2 -2,-0.2 0.742 119.5 27.1 -69.9 -23.2 -15.2 6.9 -58.8 72 74 A L H << S+ 0 0 2 -3,-1.1 2,-1.3 -4,-0.8 -2,-0.2 0.802 113.8 60.2-103.7 -43.9 -15.4 8.8 -55.4 73 75 A V S < S+ 0 0 24 -4,-3.3 2,-0.3 -5,-0.2 -1,-0.2 -0.733 83.5 104.7 -96.3 84.3 -11.9 10.0 -54.6 74 76 A N S > S- 0 0 47 -2,-1.3 4,-2.7 -3,-0.1 5,-0.3 -0.983 79.6-104.8-158.9 159.1 -11.2 12.2 -57.6 75 77 A E H > S+ 0 0 96 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.884 115.9 51.2 -57.7 -46.5 -11.0 15.9 -58.4 76 78 A K H > S+ 0 0 174 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.937 114.1 43.9 -58.9 -46.9 -14.3 16.0 -60.3 77 79 A S H > S+ 0 0 11 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.932 115.3 47.6 -65.9 -43.5 -16.2 14.4 -57.4 78 80 A F H X S+ 0 0 1 -4,-2.7 4,-3.0 1,-0.2 -2,-0.2 0.882 109.9 53.1 -67.0 -33.9 -14.5 16.5 -54.7 79 81 A A H X S+ 0 0 7 -4,-2.6 4,-2.7 -5,-0.3 -1,-0.2 0.887 108.4 51.1 -67.1 -37.0 -15.1 19.7 -56.7 80 82 A K H X S+ 0 0 98 -4,-1.9 4,-2.0 -5,-0.2 -2,-0.2 0.935 112.0 46.1 -63.9 -46.6 -18.8 18.8 -56.9 81 83 A I H X S+ 0 0 2 -4,-2.3 4,-1.0 2,-0.2 -2,-0.2 0.937 112.2 51.6 -59.3 -47.2 -18.9 18.3 -53.1 82 84 A A H ><>S+ 0 0 0 -4,-3.0 5,-2.5 1,-0.2 3,-1.0 0.933 108.5 50.4 -57.2 -44.9 -17.0 21.5 -52.7 83 85 A N H ><5S+ 0 0 89 -4,-2.7 3,-1.7 1,-0.2 -1,-0.2 0.883 103.4 59.5 -63.0 -32.9 -19.5 23.4 -54.8 84 86 A S H 3<5S+ 0 0 58 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.753 108.7 45.9 -66.2 -22.3 -22.3 21.9 -52.7 85 87 A L T <<5S- 0 0 3 -4,-1.0 -1,-0.3 -3,-1.0 -2,-0.2 0.307 113.0-121.1 -96.7 3.1 -20.7 23.6 -49.7 86 88 A N T X 5 + 0 0 89 -3,-1.7 3,-1.7 -5,-0.1 4,-0.4 0.843 55.0 163.0 54.6 36.3 -20.3 26.9 -51.7 87 89 A L G >>< + 0 0 0 -5,-2.5 3,-1.9 1,-0.3 4,-1.1 0.815 59.2 66.2 -60.8 -33.4 -16.6 26.4 -50.9 88 90 A G G 34 S+ 0 0 7 1,-0.3 3,-0.3 2,-0.2 -1,-0.3 0.817 92.7 63.9 -56.8 -30.7 -15.3 28.8 -53.6 89 91 A D G <4 S+ 0 0 114 -3,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.735 110.1 37.6 -63.9 -23.5 -16.9 31.6 -51.5 90 92 A F T <4 S+ 0 0 22 -3,-1.9 2,-0.2 -4,-0.4 -1,-0.2 0.551 85.2 110.5-107.7 -15.4 -14.5 30.9 -48.6 91 93 A I < - 0 0 1 -4,-1.1 2,-0.5 -3,-0.3 -67,-0.2 -0.500 60.5-138.3 -72.1 131.5 -11.2 30.0 -50.2 92 94 A L B +a 24 0A 56 -69,-2.7 -67,-2.4 -2,-0.2 -64,-0.3 -0.777 38.3 145.2 -93.5 126.9 -8.5 32.6 -49.7 93 95 A M - 0 0 10 -2,-0.5 -67,-0.1 -69,-0.1 10,-0.0 -0.970 48.5 -79.4-154.0 164.6 -6.3 33.4 -52.7 94 96 A S > - 0 0 36 -2,-0.3 4,-2.7 1,-0.1 5,-0.2 -0.204 40.9-111.3 -64.2 158.7 -4.5 36.4 -54.3 95 97 A V H > S+ 0 0 108 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.919 119.8 51.9 -53.1 -46.7 -6.2 38.9 -56.5 96 98 A A H > S+ 0 0 59 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.927 110.4 47.2 -60.9 -45.0 -4.4 37.6 -59.5 97 99 A E H 4>S+ 0 0 34 1,-0.2 5,-2.5 2,-0.2 -1,-0.2 0.920 113.0 48.8 -65.0 -42.4 -5.4 34.0 -58.8 98 100 A E H ><5S+ 0 0 96 -4,-2.7 3,-2.0 1,-0.2 5,-0.2 0.935 110.0 50.9 -62.7 -45.3 -9.0 35.0 -58.3 99 101 A N H 3<5S+ 0 0 128 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.794 105.6 58.2 -60.5 -29.2 -9.0 37.1 -61.5 100 102 A N T 3<5S- 0 0 115 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.242 129.0 -97.6 -84.0 10.0 -7.7 34.0 -63.3 101 103 A G T X 5S+ 0 0 15 -3,-2.0 3,-1.9 -5,-0.1 4,-0.5 0.644 71.9 150.4 85.1 20.7 -10.8 32.0 -62.1 102 104 A G G > < + 0 0 0 -5,-2.5 3,-1.2 1,-0.3 6,-0.2 0.828 67.4 57.3 -57.2 -37.8 -9.2 30.3 -59.1 103 105 A K G 3 S+ 0 0 49 1,-0.3 -1,-0.3 -5,-0.2 -15,-0.1 0.665 111.3 46.1 -67.8 -14.1 -12.4 30.0 -57.1 104 106 A E G < S+ 0 0 154 -3,-1.9 -1,-0.3 -6,-0.1 -2,-0.2 0.375 83.9 112.4-105.3 -3.3 -13.9 28.1 -60.0 105 107 A K <> - 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0 0 8 -5,-1.5 2,-0.6 -6,-0.2 -2,-0.2 -0.983 53.3-164.4-133.9 119.6 -2.0 -7.8 -30.5 157 14 B E - 0 0 45 -2,-0.4 2,-0.1 -3,-0.1 -9,-0.1 -0.923 25.5-128.2-103.8 117.5 -4.1 -10.9 -29.8 158 15 B F - 0 0 3 -2,-0.6 3,-0.2 1,-0.1 107,-0.0 -0.378 11.3-157.5 -67.7 138.4 -7.0 -11.3 -32.4 159 16 B K S S+ 0 0 90 1,-0.3 2,-0.8 -2,-0.1 -1,-0.1 0.896 96.6 42.1 -75.1 -47.0 -10.5 -11.8 -31.2 160 17 B D S >> S- 0 0 79 1,-0.2 3,-1.3 -3,-0.1 4,-0.8 -0.871 74.1-170.5-100.8 101.3 -11.4 -13.4 -34.5 161 18 B K H 3> S+ 0 0 62 -2,-0.8 4,-2.1 1,-0.3 3,-0.4 0.822 82.4 65.2 -63.1 -31.7 -8.4 -15.7 -35.2 162 19 B N H 3> S+ 0 0 103 1,-0.2 4,-2.5 2,-0.2 -1,-0.3 0.777 93.2 61.8 -62.2 -25.1 -9.7 -16.4 -38.7 163 20 B L H <> S+ 0 0 18 -3,-1.3 4,-2.0 2,-0.2 -1,-0.2 0.888 105.1 44.9 -70.3 -40.3 -9.2 -12.8 -39.5 164 21 B L H X S+ 0 0 0 -4,-0.8 4,-1.6 -3,-0.4 -2,-0.2 0.916 112.9 51.6 -65.9 -44.5 -5.4 -13.1 -38.9 165 22 B I H < S+ 0 0 54 -4,-2.1 4,-0.4 1,-0.2 3,-0.4 0.931 107.7 53.3 -59.7 -41.0 -5.4 -16.4 -40.9 166 23 B H H >< S+ 0 0 47 -4,-2.5 3,-1.5 1,-0.2 -1,-0.2 0.930 107.3 50.7 -58.2 -46.4 -7.2 -14.5 -43.7 167 24 B A H 3< S+ 0 0 0 -4,-2.0 -1,-0.2 1,-0.3 94,-0.2 0.785 111.0 50.3 -60.9 -29.2 -4.4 -11.8 -43.7 168 25 B L T 3< S+ 0 0 2 -4,-1.6 69,-2.8 -3,-0.4 2,-0.9 0.429 85.6 107.0 -87.8 -1.4 -1.8 -14.6 -43.9 169 26 B T B < -b 237 0B 1 -3,-1.5 10,-2.3 -4,-0.4 11,-0.2 -0.705 60.3-149.6 -92.7 103.8 -3.4 -16.4 -46.9 170 27 B H > - 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0 0 36 -3,-1.3 -3,-0.1 -7,-0.2 2,-0.0 -0.466 64.5-126.2 -69.9 133.4 8.2 20.0 -44.7 206 63 B A >> - 0 0 52 -2,-0.2 4,-2.4 1,-0.1 3,-0.5 -0.265 29.8-100.4 -70.0 163.2 6.3 20.8 -47.8 207 64 B E H 3> S+ 0 0 65 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.877 123.3 56.2 -53.2 -41.8 3.8 18.4 -49.3 208 65 B G H 3> S+ 0 0 34 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.872 109.1 47.1 -60.7 -39.1 6.3 17.2 -51.9 209 66 B D H <> S+ 0 0 83 -3,-0.5 4,-2.7 2,-0.2 5,-0.3 0.911 111.9 49.1 -66.2 -46.6 8.7 16.3 -49.1 210 67 B L H X S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.917 112.6 49.9 -59.0 -43.4 6.0 14.5 -47.1 211 68 B S H X S+ 0 0 43 -4,-2.8 4,-2.4 -5,-0.2 -2,-0.2 0.943 113.6 42.8 -60.9 -51.2 5.0 12.6 -50.2 212 69 B K H X S+ 0 0 171 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.902 114.6 50.1 -67.7 -41.1 8.5 11.5 -51.2 213 70 B L H X S+ 0 0 68 -4,-2.7 4,-0.7 2,-0.2 -1,-0.2 0.898 109.8 51.9 -62.4 -40.3 9.4 10.6 -47.6 214 71 B R H >X S+ 0 0 35 -4,-2.2 4,-3.4 -5,-0.3 3,-1.2 0.930 107.7 51.5 -61.0 -43.7 6.2 8.6 -47.4 215 72 B A H 3< S+ 0 0 63 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.844 105.0 57.6 -60.3 -32.2 7.2 6.7 -50.6 216 73 B A H 3< S+ 0 0 64 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.689 119.7 29.2 -72.2 -15.9 10.6 6.0 -48.9 217 74 B L H << S+ 0 0 21 -3,-1.2 2,-1.3 -4,-0.7 -2,-0.2 0.748 111.7 62.1-109.1 -41.8 8.7 4.2 -46.0 218 75 B V S < S+ 0 0 20 -4,-3.4 2,-0.3 -5,-0.2 -1,-0.2 -0.712 84.9 101.3 -94.4 88.8 5.5 2.9 -47.5 219 76 B N S > S- 0 0 48 -2,-1.3 4,-2.7 -3,-0.1 5,-0.3 -0.986 83.5 -93.9-164.3 165.3 6.8 0.4 -50.1 220 77 B E H > S+ 0 0 94 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.864 117.8 50.9 -56.5 -47.6 7.5 -3.2 -50.7 221 78 B K H > S+ 0 0 172 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.936 112.8 45.0 -59.0 -46.2 11.1 -3.2 -49.5 222 79 B S H > S+ 0 0 11 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.946 116.1 46.1 -65.1 -45.1 10.3 -1.6 -46.2 223 80 B F H X S+ 0 0 3 -4,-2.7 4,-2.9 1,-0.2 -1,-0.2 0.869 110.0 53.2 -68.5 -34.1 7.3 -3.8 -45.5 224 81 B A H X S+ 0 0 8 -4,-2.6 4,-2.5 -5,-0.3 -1,-0.2 0.876 109.1 51.4 -64.4 -37.9 9.2 -7.0 -46.5 225 82 B K H X S+ 0 0 104 -4,-1.9 4,-2.0 -5,-0.2 -2,-0.2 0.947 111.9 45.0 -61.1 -48.9 11.9 -5.9 -44.0 226 83 B I H X S+ 0 0 4 -4,-2.3 4,-1.0 2,-0.2 -2,-0.2 0.940 112.1 53.6 -61.7 -44.7 9.3 -5.5 -41.3 227 84 B A H ><>S+ 0 0 0 -4,-2.9 5,-2.5 1,-0.2 3,-1.0 0.932 107.9 49.6 -54.0 -48.1 7.6 -8.8 -42.3 228 85 B N H ><5S+ 0 0 89 -4,-2.5 3,-1.7 1,-0.2 -1,-0.2 0.881 103.5 60.0 -63.1 -33.7 11.0 -10.6 -42.0 229 86 B S H 3<5S+ 0 0 62 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.750 109.8 44.3 -63.9 -24.3 11.4 -9.0 -38.4 230 87 B L T <<5S- 0 0 7 -4,-1.0 -1,-0.3 -3,-1.0 -2,-0.2 0.274 113.0-121.8 -97.2 4.3 8.2 -10.8 -37.5 231 88 B N T X 5 + 0 0 93 -3,-1.7 3,-2.2 -5,-0.1 4,-0.3 0.850 51.9 163.9 55.1 38.7 9.3 -14.1 -39.3 232 89 B L G >>< + 0 0 0 -5,-2.5 3,-2.2 1,-0.3 4,-1.8 0.819 63.1 70.3 -61.4 -30.5 6.1 -13.8 -41.5 233 90 B G G 34 S+ 0 0 9 1,-0.3 -1,-0.3 2,-0.2 -2,-0.1 0.808 94.3 58.5 -54.1 -26.4 7.4 -16.3 -44.0 234 91 B D G <4 S+ 0 0 103 -3,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.647 114.2 35.4 -73.3 -16.9 6.8 -18.9 -41.2 235 92 B F T <4 S+ 0 0 18 -3,-2.2 -2,-0.2 -4,-0.3 -1,-0.2 0.590 86.9 107.8-115.0 -20.2 3.1 -18.0 -41.0 236 93 B I < - 0 0 15 -4,-1.8 2,-0.5 12,-0.1 -67,-0.2 -0.433 61.9-136.6 -69.4 138.9 2.0 -17.2 -44.5 237 94 B L B +b 169 0B 57 -69,-2.8 -67,-2.5 -72,-0.2 -64,-0.3 -0.845 38.3 149.1 -99.5 121.8 -0.2 -19.8 -46.2 238 95 B M - 0 0 13 -2,-0.5 -67,-0.1 -69,-0.1 10,-0.0 -0.977 46.4 -86.4-148.8 161.1 0.7 -20.6 -49.8 239 96 B S > - 0 0 36 -2,-0.3 4,-2.6 1,-0.1 5,-0.2 -0.151 38.9-110.1 -66.4 162.9 0.5 -23.6 -52.2 240 97 B V H > S+ 0 0 108 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.930 120.7 50.4 -56.2 -47.6 3.2 -26.3 -52.4 241 98 B A H > S+ 0 0 57 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.925 109.6 50.5 -60.3 -43.1 4.1 -24.9 -55.9 242 99 B E H 4>S+ 0 0 29 2,-0.2 5,-2.5 1,-0.2 -1,-0.2 0.931 112.1 46.8 -62.4 -45.0 4.3 -21.4 -54.7 243 100 B E H ><5S+ 0 0 95 -4,-2.6 3,-1.9 1,-0.2 5,-0.3 0.932 110.7 52.0 -61.3 -44.5 6.6 -22.4 -51.8 244 101 B N H 3<5S+ 0 0 127 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.786 105.5 57.0 -62.9 -25.1 8.7 -24.5 -54.2 245 102 B N T 3<5S- 0 0 118 -4,-1.6 -1,-0.3 -3,-0.2 -2,-0.2 0.263 129.2 -97.4 -89.7 12.5 9.0 -21.3 -56.4 246 103 B G T X 5S+ 0 0 35 -3,-1.9 3,-1.7 -5,-0.1 4,-0.4 0.655 71.7 150.4 83.9 21.9 10.5 -19.4 -53.4 247 104 B G G > < + 0 0 0 -5,-2.5 3,-1.3 1,-0.3 -4,-0.2 0.809 63.7 64.3 -56.2 -35.0 7.2 -17.7 -52.3 248 105 B K G 3 S+ 0 0 77 1,-0.3 -1,-0.3 -5,-0.3 -12,-0.1 0.742 110.0 39.6 -63.0 -22.4 8.3 -17.5 -48.6 249 106 B E G < S+ 0 0 165 -3,-1.7 -1,-0.3 -6,-0.1 -2,-0.2 0.335 84.4 119.3-106.8 2.4 11.1 -15.1 -49.6 250 107 B K <> - 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0 0 74 -3,-1.3 4,-2.3 -4,-0.4 3,-0.4 -0.565 58.6-145.1 -73.0 124.3 9.2 13.1 -6.8 541 108 D P H > S+ 0 0 61 0, 0.0 4,-2.9 0, 0.0 5,-0.3 0.859 98.2 55.0 -58.1 -35.9 9.1 9.5 -7.9 542 109 D S H > S+ 0 0 49 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.894 109.2 46.3 -63.0 -40.9 5.7 8.9 -6.4 543 110 D I H > S+ 0 0 4 -3,-0.4 4,-2.1 2,-0.2 -1,-0.2 0.921 115.7 46.1 -66.6 -44.8 4.2 11.8 -8.4 544 111 D L H X S+ 0 0 2 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.931 115.6 45.6 -62.2 -49.9 5.8 10.7 -11.6 545 112 D S H X S+ 0 0 3 -4,-2.9 4,-2.7 -5,-0.2 5,-0.2 0.928 112.1 51.0 -61.2 -45.3 4.8 7.1 -11.1 546 113 D D H X S+ 0 0 39 -4,-2.4 4,-2.5 -5,-0.3 -1,-0.2 0.898 110.1 49.7 -61.0 -43.5 1.3 7.9 -10.2 547 114 D A H X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.906 111.1 49.5 -63.1 -42.4 0.8 10.1 -13.2 548 115 D L H X S+ 0 0 4 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.965 112.6 46.4 -61.1 -49.9 2.1 7.4 -15.5 549 116 D E H X S+ 0 0 10 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.905 111.4 52.6 -61.1 -39.1 -0.2 4.8 -14.0 550 117 D A H X S+ 0 0 0 -4,-2.5 4,-2.4 -5,-0.2 -1,-0.2 0.872 106.5 53.8 -63.3 -37.6 -3.1 7.3 -14.3 551 118 D I H X S+ 0 0 0 -4,-2.3 4,-2.4 -94,-0.2 -1,-0.2 0.935 108.9 47.9 -63.0 -43.4 -2.4 7.8 -18.0 552 119 D I H X S+ 0 0 2 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.918 111.5 51.5 -63.5 -40.1 -2.5 4.1 -18.6 553 120 D G H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.900 109.5 49.9 -59.2 -43.1 -5.8 4.0 -16.6 554 121 D A H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 5,-0.2 0.871 109.6 50.0 -65.0 -40.0 -7.2 6.8 -18.8 555 122 D I H X>S+ 0 0 0 -4,-2.4 4,-3.2 2,-0.2 5,-0.6 0.924 111.5 49.7 -65.4 -43.4 -6.2 5.0 -22.0 556 123 D H H X5S+ 0 0 5 -4,-2.5 4,-2.1 3,-0.2 -2,-0.2 0.938 110.5 50.7 -56.3 -47.5 -7.9 1.9 -20.7 557 124 D L H <5S+ 0 0 55 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.919 121.3 32.3 -58.6 -45.6 -11.0 3.9 -19.9 558 125 D E H <5S+ 0 0 54 -4,-2.3 -2,-0.2 -5,-0.1 -1,-0.2 0.868 136.8 18.5 -81.0 -35.4 -11.2 5.5 -23.3 559 126 D A H <5S- 0 0 41 -4,-3.2 4,-0.3 -5,-0.2 -3,-0.2 0.480 103.6-111.4-122.4 -9.4 -9.9 2.8 -25.5 560 127 D G X< - 0 0 22 -4,-2.1 4,-2.1 -5,-0.6 5,-0.2 -0.087 38.0 -66.4 94.4 168.3 -10.0 -0.5 -23.6 561 128 D F H > S+ 0 0 2 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.891 123.6 53.5 -60.1 -48.2 -7.6 -3.0 -22.1 562 129 D E H > S+ 0 0 31 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.900 111.7 45.7 -62.1 -37.8 -5.9 -4.3 -25.3 563 130 D F H > S+ 0 0 5 -4,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.900 112.3 49.7 -72.4 -41.2 -5.0 -0.8 -26.4 564 131 D A H X S+ 0 0 0 -4,-2.1 4,-2.7 1,-0.2 -2,-0.2 0.900 110.7 54.2 -58.7 -38.9 -3.7 0.2 -23.0 565 132 D K H X S+ 0 0 17 -4,-2.8 4,-3.0 2,-0.2 5,-0.2 0.926 107.1 47.5 -60.4 -50.6 -1.7 -3.0 -23.1 566 133 D T H X S+ 0 0 0 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.921 114.5 47.7 -61.6 -41.3 -0.0 -2.3 -26.4 567 134 D I H X S+ 0 0 2 -4,-2.1 4,-1.7 2,-0.2 -2,-0.2 0.944 114.8 45.7 -62.4 -47.4 0.8 1.3 -25.2 568 135 D A H X S+ 0 0 2 -4,-2.7 4,-2.6 1,-0.2 5,-0.2 0.898 111.2 51.6 -65.3 -43.8 2.2 0.0 -21.9 569 136 D L H X S+ 0 0 22 -4,-3.0 4,-3.0 1,-0.2 -1,-0.2 0.889 108.0 52.6 -62.1 -38.0 4.2 -2.8 -23.4 570 137 D R H X S+ 0 0 36 -4,-1.9 4,-2.0 -5,-0.2 -1,-0.2 0.894 111.2 46.8 -64.0 -40.9 5.8 -0.4 -25.9 571 138 D L H X S+ 0 0 13 -4,-1.7 4,-1.7 2,-0.2 -2,-0.2 0.914 115.1 45.6 -65.6 -43.0 6.8 2.0 -22.9 572 139 D I H X S+ 0 0 12 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.939 112.3 52.1 -65.1 -45.6 8.2 -1.0 -20.9 573 140 D E H < S+ 0 0 51 -4,-3.0 -2,-0.2 1,-0.2 -1,-0.2 0.909 111.4 46.9 -52.5 -48.4 10.0 -2.4 -24.0 574 141 D K H < S+ 0 0 121 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.823 120.1 37.9 -68.2 -34.5 11.7 1.0 -24.7 575 142 D N H < S+ 0 0 20 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.678 128.1 31.4 -92.6 -22.7 12.8 1.5 -21.0 576 143 D F < 0 0 53 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.1 -0.645 360.0 360.0-136.1 72.0 13.7 -2.1 -20.2 577 144 D P 0 0 136 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.665 360.0 360.0 -70.5 360.0 15.0 -3.6 -23.5 578 ! 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 0.0 579 146 D I 0 0 115 0, 0.0 -6,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 14.1 -8.4 -19.8