==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=15-MAY-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER UNKNOWN FUNCTION 24-DEC-10 3Q4Q . COMPND 2 MOLECULE: UNCHARACTERIZED PROTEIN MJ0754; . SOURCE 2 ORGANISM_SCIENTIFIC: METHANOCALDOCOCCUS JANNASCHII; . AUTHOR K.Y.HWANG,E.H.LEE . 169 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8573.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 126 74.6 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 . 3 1.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 10 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 111 65.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.2 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 0 0 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 2 0 0 0 1 1 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 12 A P 0 0 173 0, 0.0 2,-0.2 0, 0.0 117,-0.0 0.000 360.0 360.0 360.0 149.7 -12.5 -29.8 20.6 2 13 A I - 0 0 26 1,-0.1 2,-0.1 4,-0.0 3,-0.0 -0.416 360.0-134.6 -76.6 137.9 -10.6 -27.5 18.1 3 14 A S > - 0 0 52 -2,-0.2 4,-2.1 1,-0.1 5,-0.2 -0.460 20.8-115.6 -85.7 161.8 -6.9 -27.6 17.9 4 15 A E H > S+ 0 0 139 1,-0.2 4,-2.5 2,-0.2 5,-0.1 0.926 120.3 52.5 -60.1 -41.5 -4.6 -24.5 17.9 5 16 A E H > S+ 0 0 115 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.859 107.5 50.7 -57.5 -41.0 -3.6 -25.6 14.4 6 17 A E H > S+ 0 0 26 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.877 109.7 51.5 -68.4 -34.1 -7.2 -25.8 13.3 7 18 A K H X S+ 0 0 59 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.941 105.3 55.5 -66.1 -45.6 -7.8 -22.2 14.7 8 19 A E H X S+ 0 0 98 -4,-2.5 4,-2.2 1,-0.3 -1,-0.2 0.858 106.8 52.7 -55.3 -35.5 -4.8 -21.0 12.7 9 20 A G H X S+ 0 0 0 -4,-1.4 4,-2.8 2,-0.2 -1,-0.3 0.891 108.0 46.4 -66.0 -46.4 -6.5 -22.3 9.6 10 21 A L H X S+ 0 0 0 -4,-1.7 4,-2.2 1,-0.2 -1,-0.2 0.891 111.3 54.8 -69.4 -35.7 -9.8 -20.6 10.1 11 22 A I H X S+ 0 0 60 -4,-2.6 4,-1.3 2,-0.2 -1,-0.2 0.914 111.4 43.9 -60.6 -45.8 -8.0 -17.4 10.9 12 23 A E H X S+ 0 0 25 -4,-2.2 4,-2.1 -5,-0.2 3,-0.2 0.943 114.6 47.8 -64.7 -45.6 -6.0 -17.6 7.6 13 24 A M H X S+ 0 0 0 -4,-2.8 4,-2.2 1,-0.2 5,-0.2 0.798 102.6 63.6 -69.3 -28.1 -9.1 -18.5 5.5 14 25 A R H X S+ 0 0 14 -4,-2.2 4,-1.0 -5,-0.2 -1,-0.2 0.941 113.1 35.7 -58.6 -47.2 -11.2 -15.7 7.0 15 26 A E H X S+ 0 0 3 -4,-1.3 4,-2.1 -3,-0.2 -2,-0.2 0.798 110.8 62.0 -79.2 -23.0 -8.8 -13.2 5.5 16 27 A E H X S+ 0 0 2 -4,-2.1 4,-1.6 1,-0.2 -2,-0.2 0.926 104.6 47.7 -68.1 -37.0 -8.2 -15.2 2.3 17 28 A E H X S+ 0 0 0 -4,-2.2 4,-2.6 1,-0.2 -1,-0.2 0.860 110.9 53.9 -66.2 -37.9 -11.9 -15.0 1.4 18 29 A K H X S+ 0 0 0 -4,-1.0 4,-3.0 -5,-0.2 5,-0.2 0.830 102.8 56.9 -64.3 -38.1 -11.6 -11.2 2.1 19 30 A L H X S+ 0 0 0 -4,-2.1 4,-2.7 2,-0.2 5,-0.3 0.943 110.6 42.8 -56.1 -47.2 -8.7 -11.0 -0.2 20 31 A A H X S+ 0 0 1 -4,-1.6 4,-2.4 2,-0.2 -2,-0.2 0.933 115.3 49.0 -66.0 -48.9 -10.7 -12.4 -3.1 21 32 A R H X S+ 0 0 10 -4,-2.6 4,-2.7 1,-0.2 5,-0.2 0.962 115.6 45.0 -53.6 -50.9 -13.8 -10.2 -2.1 22 33 A D H X S+ 0 0 0 -4,-3.0 4,-2.3 1,-0.2 -2,-0.2 0.894 113.9 46.5 -64.6 -47.7 -11.6 -7.1 -1.9 23 34 A V H X S+ 0 0 0 -4,-2.7 4,-2.8 -5,-0.2 -1,-0.2 0.924 114.7 49.0 -61.5 -42.2 -9.6 -7.6 -5.1 24 35 A Y H X S+ 0 0 0 -4,-2.4 4,-2.3 -5,-0.3 -2,-0.2 0.918 110.8 48.3 -68.0 -37.4 -12.8 -8.4 -7.0 25 36 A L H X S+ 0 0 52 -4,-2.7 4,-2.1 2,-0.2 -1,-0.2 0.890 114.1 49.1 -61.4 -42.9 -14.7 -5.3 -5.7 26 37 A T H X S+ 0 0 36 -4,-2.3 4,-1.1 -5,-0.2 -2,-0.2 0.926 112.7 45.8 -67.7 -39.7 -11.7 -3.2 -6.7 27 38 A L H X S+ 0 0 3 -4,-2.8 4,-2.8 1,-0.2 5,-0.4 0.841 109.9 54.9 -74.6 -29.6 -11.4 -4.7 -10.2 28 39 A Y H X S+ 0 0 46 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.908 106.0 51.5 -64.1 -45.8 -15.2 -4.4 -10.7 29 40 A N H < S+ 0 0 106 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.770 115.3 44.6 -62.2 -25.8 -14.9 -0.7 -9.9 30 41 A K H < S+ 0 0 99 -4,-1.1 -2,-0.2 -5,-0.2 -1,-0.2 0.941 131.3 14.3 -76.7 -52.5 -12.2 -0.4 -12.4 31 42 A W H < S- 0 0 57 -4,-2.8 -3,-0.2 2,-0.1 -2,-0.2 0.570 83.5-138.2-111.7 -13.6 -13.5 -2.4 -15.4 32 43 A K < + 0 0 117 -4,-2.4 2,-0.6 -5,-0.4 -4,-0.1 0.764 42.9 159.0 57.7 27.6 -17.2 -2.9 -14.6 33 44 A L >> - 0 0 24 -6,-0.3 3,-1.7 1,-0.1 4,-0.9 -0.759 42.2-138.9 -79.6 123.6 -17.2 -6.5 -15.8 34 45 A Q H 3> S+ 0 0 100 -2,-0.6 4,-2.7 1,-0.3 5,-0.3 0.775 96.1 72.6 -56.7 -30.8 -20.2 -8.1 -14.1 35 46 A I H 3> S+ 0 0 22 1,-0.2 4,-2.7 2,-0.2 -1,-0.3 0.897 96.5 49.7 -53.0 -44.0 -18.2 -11.2 -13.3 36 47 A F H <> S+ 0 0 0 -3,-1.7 4,-2.2 2,-0.2 -1,-0.2 0.899 111.2 48.5 -63.4 -42.4 -16.3 -9.3 -10.6 37 48 A K H X S+ 0 0 85 -4,-0.9 4,-1.5 2,-0.2 -2,-0.2 0.945 113.9 46.8 -57.0 -49.4 -19.4 -8.0 -9.0 38 49 A N H X S+ 0 0 77 -4,-2.7 4,-1.5 1,-0.2 -2,-0.2 0.914 115.8 43.1 -60.7 -47.0 -21.0 -11.5 -9.0 39 50 A I H X S+ 0 0 10 -4,-2.7 4,-3.0 -5,-0.3 5,-0.2 0.890 106.5 60.6 -75.7 -37.1 -18.1 -13.3 -7.6 40 51 A A H X S+ 0 0 2 -4,-2.2 4,-1.6 -5,-0.3 -1,-0.2 0.884 104.6 52.2 -50.6 -39.3 -17.3 -10.6 -5.0 41 52 A E H X S+ 0 0 109 -4,-1.5 4,-1.9 2,-0.2 -1,-0.2 0.901 107.4 50.4 -61.1 -44.4 -20.8 -11.4 -3.7 42 53 A S H X S+ 0 0 33 -4,-1.5 4,-2.3 1,-0.2 -2,-0.2 0.899 109.2 52.7 -61.4 -42.1 -20.0 -15.1 -3.5 43 54 A E H X S+ 0 0 0 -4,-3.0 4,-2.8 2,-0.2 -1,-0.2 0.845 104.2 55.3 -63.8 -33.0 -16.8 -14.2 -1.6 44 55 A Q H X S+ 0 0 61 -4,-1.6 4,-2.3 2,-0.2 -1,-0.2 0.949 108.1 50.0 -61.0 -44.2 -18.8 -12.1 0.9 45 56 A T H X S+ 0 0 91 -4,-1.9 4,-2.0 1,-0.2 -2,-0.2 0.940 111.2 48.3 -56.0 -46.8 -20.8 -15.4 1.5 46 57 A H H X S+ 0 0 9 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.905 108.8 53.0 -65.3 -46.9 -17.6 -17.3 2.0 47 58 A M H X S+ 0 0 0 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.882 109.7 49.9 -47.2 -47.5 -16.3 -14.7 4.4 48 59 A D H X S+ 0 0 86 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.846 106.1 55.5 -60.1 -42.2 -19.5 -15.0 6.4 49 60 A A H X S+ 0 0 29 -4,-2.0 4,-1.3 2,-0.2 -2,-0.2 0.879 110.7 44.6 -59.1 -41.5 -19.2 -18.8 6.5 50 61 A V H X S+ 0 0 0 -4,-1.9 4,-2.4 2,-0.2 3,-0.4 0.935 109.8 55.6 -72.2 -41.8 -15.8 -18.6 8.0 51 62 A K H X S+ 0 0 58 -4,-2.3 4,-2.7 1,-0.2 5,-0.3 0.903 101.9 57.8 -55.6 -39.2 -16.9 -16.0 10.5 52 63 A Y H X S+ 0 0 150 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.903 108.4 46.0 -61.6 -35.6 -19.6 -18.3 11.7 53 64 A L H X S+ 0 0 4 -4,-1.3 4,-1.9 -3,-0.4 -1,-0.2 0.896 109.8 54.0 -71.1 -43.2 -17.0 -20.9 12.6 54 65 A L H <>S+ 0 0 1 -4,-2.4 5,-2.9 1,-0.2 -2,-0.2 0.920 113.0 44.1 -52.5 -43.1 -14.8 -18.2 14.3 55 66 A E H ><5S+ 0 0 121 -4,-2.7 3,-1.0 3,-0.2 -2,-0.2 0.853 105.6 60.3 -72.8 -33.9 -17.8 -17.2 16.4 56 67 A K H 3<5S+ 0 0 110 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.889 117.4 32.0 -61.9 -38.6 -18.8 -20.8 17.1 57 68 A Y T 3<5S- 0 0 62 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.274 110.1-120.2 -99.8 8.9 -15.4 -21.3 18.8 58 69 A N T < 5 + 0 0 149 -3,-1.0 -3,-0.2 1,-0.2 -4,-0.1 0.851 52.6 164.8 52.4 40.3 -15.0 -17.7 20.0 59 70 A I < - 0 0 9 -5,-2.9 -1,-0.2 -6,-0.2 -2,-0.1 -0.763 46.8-104.4 -82.1 133.7 -11.8 -17.3 18.0 60 71 A P - 0 0 109 0, 0.0 -1,-0.1 0, 0.0 -5,-0.0 -0.246 37.9-117.8 -60.9 131.6 -10.8 -13.5 17.7 61 72 A D - 0 0 30 1,-0.2 -50,-0.1 2,-0.1 -10,-0.0 -0.592 12.1-151.2 -73.7 123.5 -11.7 -12.4 14.2 62 73 A P S S+ 0 0 13 0, 0.0 2,-1.3 0, 0.0 10,-0.3 0.728 82.7 86.6 -60.0 -22.5 -8.5 -11.3 12.2 63 74 A V + 0 0 16 1,-0.2 3,-0.2 8,-0.1 -2,-0.1 -0.725 44.6 152.3 -82.9 92.0 -10.9 -8.9 10.3 64 75 A K S S+ 0 0 187 -2,-1.3 2,-0.4 1,-0.3 -1,-0.2 0.509 72.9 36.5 -95.1 -11.2 -10.9 -5.9 12.6 65 76 A N - 0 0 75 -3,-0.2 -1,-0.3 5,-0.2 5,-0.2 -0.910 64.9-163.7-143.7 111.5 -11.6 -3.5 9.7 66 77 A D + 0 0 81 -2,-0.4 3,-0.1 -3,-0.2 -1,-0.1 0.609 51.0 124.7 -69.2 -14.5 -13.9 -4.7 6.9 67 78 A S S > S- 0 0 68 1,-0.1 3,-1.8 2,-0.1 -2,-0.1 -0.168 76.0 -92.9 -49.8 138.9 -12.7 -1.8 4.6 68 79 A I T 3 S+ 0 0 70 1,-0.2 -1,-0.1 -46,-0.1 3,-0.1 -0.285 110.7 20.0 -47.5 132.7 -11.3 -3.0 1.2 69 80 A G T 3 S+ 0 0 15 1,-0.2 2,-0.6 -51,-0.2 -1,-0.2 0.332 91.1 122.7 92.0 -7.3 -7.6 -3.6 1.3 70 81 A V < + 0 0 57 -3,-1.8 2,-0.3 -5,-0.2 -1,-0.2 -0.793 32.1 166.2 -97.5 122.1 -7.2 -3.9 5.1 71 82 A F - 0 0 17 -2,-0.6 -8,-0.1 1,-0.1 6,-0.0 -0.999 36.4-155.4-136.3 142.3 -5.6 -7.1 6.5 72 83 A S S S+ 0 0 63 -2,-0.3 -1,-0.1 -10,-0.3 -9,-0.1 0.930 92.3 60.8 -73.6 -51.8 -4.2 -8.3 9.8 73 84 A N S >> S- 0 0 50 1,-0.2 3,-1.8 -61,-0.1 4,-1.2 -0.667 79.4-150.5 -78.9 114.6 -1.9 -10.9 8.2 74 85 A P H 3> S+ 0 0 68 0, 0.0 4,-2.9 0, 0.0 5,-0.3 0.749 88.9 77.4 -66.1 -17.9 0.4 -9.0 5.9 75 86 A K H 3> S+ 0 0 75 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.936 103.4 39.6 -45.3 -41.0 0.6 -12.0 3.5 76 87 A F H <> S+ 0 0 0 -3,-1.8 4,-3.1 2,-0.2 -1,-0.2 0.834 110.7 56.8 -85.5 -28.8 -2.8 -10.8 2.3 77 88 A E H X S+ 0 0 72 -4,-1.2 4,-2.2 2,-0.2 -1,-0.2 0.935 111.5 44.0 -64.8 -43.8 -2.1 -7.1 2.4 78 89 A E H X S+ 0 0 126 -4,-2.9 4,-2.6 2,-0.2 5,-0.2 0.899 113.9 49.4 -67.6 -42.0 0.9 -7.7 0.0 79 90 A L H X S+ 0 0 23 -4,-1.9 4,-2.6 -5,-0.3 5,-0.3 0.917 109.1 53.8 -61.1 -48.3 -1.2 -10.0 -2.2 80 91 A Y H X S+ 0 0 31 -4,-3.1 4,-2.3 1,-0.2 5,-0.2 0.937 113.1 42.9 -49.9 -50.6 -4.0 -7.4 -2.3 81 92 A K H X S+ 0 0 113 -4,-2.2 4,-1.5 -5,-0.2 -2,-0.2 0.921 115.4 46.4 -66.3 -44.3 -1.6 -4.7 -3.4 82 93 A K H X S+ 0 0 83 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.926 114.9 47.7 -61.5 -43.1 0.3 -6.8 -6.0 83 94 A L H X S+ 0 0 6 -4,-2.6 4,-2.7 -5,-0.2 -2,-0.2 0.874 109.9 49.4 -73.0 -40.8 -2.9 -8.2 -7.5 84 95 A V H X S+ 0 0 28 -4,-2.3 4,-1.3 -5,-0.3 -1,-0.2 0.842 111.2 51.7 -61.7 -36.1 -4.8 -4.9 -7.8 85 96 A E H < S+ 0 0 147 -4,-1.5 4,-0.5 -5,-0.2 3,-0.4 0.949 113.9 43.4 -64.6 -46.4 -1.8 -3.4 -9.5 86 97 A K H >< S+ 0 0 102 -4,-2.3 3,-1.6 1,-0.2 4,-0.4 0.933 113.5 52.2 -60.1 -47.7 -1.6 -6.3 -12.0 87 98 A G H 3< S+ 0 0 0 -4,-2.7 3,-0.4 1,-0.3 7,-0.4 0.709 97.7 66.2 -69.5 -18.8 -5.4 -6.2 -12.5 88 99 A D T 3< S+ 0 0 84 -4,-1.3 -1,-0.3 -3,-0.4 -2,-0.2 0.690 85.6 74.5 -72.5 -18.0 -5.4 -2.5 -13.3 89 100 A K S < S- 0 0 126 -3,-1.6 2,-0.3 -4,-0.5 -1,-0.2 0.869 110.5 -26.7 -67.7 -37.2 -3.4 -3.0 -16.5 90 101 A S > - 0 0 35 -3,-0.4 4,-2.2 -4,-0.4 -1,-0.2 -0.982 59.8 -98.1-168.2 163.1 -6.2 -4.6 -18.7 91 102 A E H > S+ 0 0 64 -2,-0.3 4,-2.1 2,-0.2 5,-0.2 0.937 124.4 49.9 -58.5 -40.9 -9.4 -6.5 -18.7 92 103 A V H > S+ 0 0 36 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.911 109.5 50.4 -67.8 -44.4 -7.3 -9.7 -19.5 93 104 A D H > S+ 0 0 45 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.914 110.0 51.0 -59.4 -37.0 -4.9 -9.0 -16.7 94 105 A A H X S+ 0 0 0 -4,-2.2 4,-1.8 -7,-0.4 -2,-0.2 0.923 110.6 48.1 -67.8 -39.1 -7.8 -8.5 -14.2 95 106 A L H X S+ 0 0 0 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.857 109.3 53.4 -68.4 -36.4 -9.3 -11.9 -15.3 96 107 A K H X S+ 0 0 62 -4,-2.3 4,-2.8 1,-0.2 -1,-0.2 0.852 106.7 52.5 -61.9 -38.8 -6.0 -13.6 -14.9 97 108 A V H X S+ 0 0 3 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.885 106.5 53.3 -65.1 -40.1 -5.8 -12.2 -11.4 98 109 A G H X S+ 0 0 0 -4,-1.8 4,-2.2 2,-0.2 5,-0.2 0.978 111.2 46.0 -56.5 -52.5 -9.3 -13.7 -10.7 99 110 A A H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.920 111.3 53.4 -55.9 -44.5 -8.0 -17.1 -11.8 100 111 A T H X S+ 0 0 17 -4,-2.8 4,-2.7 1,-0.2 -1,-0.2 0.904 108.0 49.0 -54.9 -46.0 -4.8 -16.6 -9.7 101 112 A I H X S+ 0 0 2 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.908 112.8 47.1 -64.1 -43.2 -6.8 -15.9 -6.5 102 113 A E H X S+ 0 0 0 -4,-2.2 4,-2.4 -5,-0.2 -1,-0.2 0.873 109.8 54.4 -65.4 -38.1 -8.9 -18.9 -7.1 103 114 A D H X S+ 0 0 0 -4,-2.4 4,-2.3 -5,-0.2 -2,-0.2 0.940 111.9 44.0 -55.6 -55.0 -5.8 -21.0 -7.8 104 115 A L H X S+ 0 0 20 -4,-2.7 4,-2.8 1,-0.2 5,-0.2 0.910 112.6 52.6 -59.8 -40.4 -4.2 -20.0 -4.5 105 116 A D H X S+ 0 0 2 -4,-2.2 4,-2.7 1,-0.2 -2,-0.2 0.913 109.0 48.1 -65.8 -41.0 -7.5 -20.5 -2.6 106 117 A I H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.926 113.9 48.0 -68.0 -45.5 -8.0 -24.0 -3.8 107 118 A A H X S+ 0 0 23 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.932 115.4 44.6 -59.5 -41.3 -4.3 -24.9 -3.0 108 119 A D H X S+ 0 0 20 -4,-2.8 4,-2.0 1,-0.2 -2,-0.2 0.854 111.5 51.9 -72.8 -38.0 -4.7 -23.3 0.5 109 120 A L H X S+ 0 0 0 -4,-2.7 4,-2.9 -5,-0.2 5,-0.2 0.904 108.9 51.8 -64.9 -42.2 -8.1 -25.0 1.2 110 121 A E H X S+ 0 0 60 -4,-2.5 4,-1.7 -5,-0.2 -2,-0.2 0.936 108.6 52.8 -56.6 -47.6 -6.5 -28.3 0.2 111 122 A K H < S+ 0 0 75 -4,-2.1 4,-0.3 1,-0.2 -2,-0.2 0.931 115.7 37.7 -51.0 -51.3 -3.7 -27.6 2.7 112 123 A W H >< S+ 0 0 11 -4,-2.0 3,-1.2 1,-0.2 4,-0.4 0.845 110.6 59.5 -79.3 -32.3 -6.0 -26.9 5.6 113 124 A I H >< S+ 0 0 8 -4,-2.9 3,-1.0 1,-0.3 -1,-0.2 0.873 103.8 53.3 -59.5 -37.0 -8.6 -29.6 4.7 114 125 A N T 3< S+ 0 0 126 -4,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.556 104.0 57.1 -79.8 -7.9 -5.8 -32.1 5.0 115 126 A K T < S+ 0 0 99 -3,-1.2 2,-0.3 -4,-0.3 -1,-0.2 0.410 100.7 64.9 -98.6 2.6 -4.9 -30.9 8.5 116 127 A T < - 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