==== 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 UNKNOWN FUNCTION 24-JUL-05 2AEU . COMPND 2 MOLECULE: HYPOTHETICAL PROTEIN MJ0158; . SOURCE 2 ORGANISM_SCIENTIFIC: METHANOCALDOCOCCUS JANNASCHII; . AUTHOR J.T.KAISER,K.GROMADSKI,M.ROTHER,H.ENGELHARDT,M.V.RODNINA,M.C . 366 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18304.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 279 76.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 24 6.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 30 8.2 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 . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 27 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 41 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 139 38.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 2.2 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 1 1 0 2 1 0 1 0 3 2 1 1 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 1 1 2 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 . 2 0 0 1 2 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 ANTIPARALLEL BRIDGES PER LADDER . 1 1 0 0 0 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 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 9 A L 0 0 219 0, 0.0 326,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 65.6 -22.7 36.6 -22.2 2 10 A R + 0 0 192 1,-0.1 325,-0.7 2,-0.1 0, 0.0 0.008 360.0 57.8 -47.5 141.0 -25.5 35.8 -19.7 3 11 A L + 0 0 28 323,-0.1 4,-0.4 3,-0.0 3,-0.3 0.874 34.2 149.1 94.5 64.1 -24.7 34.3 -16.3 4 12 A E > + 0 0 118 1,-0.2 4,-2.5 2,-0.2 -2,-0.1 0.205 62.9 91.7 -89.4 4.0 -22.4 36.4 -14.3 5 13 A K H > S+ 0 0 104 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.826 85.1 48.6 -67.9 -35.2 -24.5 34.9 -11.5 6 14 A A H > S+ 0 0 11 -3,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.891 111.1 50.1 -66.9 -43.8 -21.9 32.1 -11.3 7 15 A R H > S+ 0 0 116 -4,-0.4 4,-2.2 1,-0.2 -2,-0.2 0.916 109.0 54.7 -56.3 -45.2 -19.2 34.9 -11.2 8 16 A K H X S+ 0 0 116 -4,-2.5 4,-1.7 1,-0.2 -2,-0.2 0.914 110.0 42.1 -55.5 -51.3 -21.2 36.5 -8.4 9 17 A I H X S+ 0 0 9 -4,-1.8 4,-2.8 2,-0.2 -1,-0.2 0.855 110.8 56.1 -72.7 -35.9 -21.3 33.5 -6.1 10 18 A I H X S+ 0 0 39 -4,-2.0 4,-2.8 2,-0.2 -1,-0.2 0.923 109.6 47.6 -57.3 -47.2 -17.7 32.6 -6.7 11 19 A L H X S+ 0 0 81 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.847 110.7 52.1 -63.3 -35.4 -16.8 36.1 -5.6 12 20 A E H X S+ 0 0 94 -4,-1.7 4,-2.8 2,-0.2 5,-0.3 0.925 111.4 45.7 -64.1 -47.8 -19.0 35.7 -2.5 13 21 A I H X>S+ 0 0 19 -4,-2.8 4,-3.1 2,-0.2 5,-1.7 0.932 112.5 51.8 -60.1 -48.9 -17.3 32.4 -1.6 14 22 A L H <5S+ 0 0 66 -4,-2.8 -2,-0.2 3,-0.2 -1,-0.2 0.894 115.4 41.8 -52.5 -46.2 -13.8 34.1 -2.2 15 23 A N H <5S+ 0 0 141 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.913 122.1 37.4 -69.2 -44.6 -14.8 37.0 0.1 16 24 A E H <5S- 0 0 159 -4,-2.8 -2,-0.2 -5,-0.1 -3,-0.2 0.861 141.2 -0.1 -79.3 -38.5 -16.5 35.0 2.8 17 25 A K T <5S- 0 0 172 -4,-3.1 -3,-0.2 -5,-0.3 2,-0.2 0.761 97.3-120.8-117.8 -62.6 -14.2 31.9 2.9 18 26 A G > < - 0 0 20 -5,-1.7 3,-2.0 1,-0.1 -3,-0.1 -0.682 37.9 -54.7 134.9 175.1 -11.4 32.0 0.3 19 27 A R G > S+ 0 0 163 1,-0.3 3,-1.8 -2,-0.2 -1,-0.1 0.760 120.5 66.0 -58.3 -32.6 -9.8 30.3 -2.7 20 28 A D G 3 S+ 0 0 128 1,-0.3 -1,-0.3 -3,-0.1 -6,-0.0 0.611 93.7 62.4 -67.1 -11.3 -9.4 26.9 -0.9 21 29 A A G < S+ 0 0 19 -3,-2.0 2,-0.5 -8,-0.1 -1,-0.3 0.340 90.4 83.7 -91.3 3.5 -13.2 26.7 -0.8 22 30 A L < - 0 0 20 -3,-1.8 2,-0.4 -4,-0.1 298,-0.2 -0.914 53.5-177.8-111.8 133.7 -13.4 26.7 -4.6 23 31 A Y E -a 320 0A 33 296,-3.2 298,-3.1 -2,-0.5 2,-1.0 -0.914 10.7-162.0-130.9 107.1 -13.0 23.6 -6.7 24 32 A D E +a 321 0A 34 -2,-0.4 319,-0.5 296,-0.2 3,-0.3 -0.774 22.5 161.0 -90.6 103.1 -13.1 23.9 -10.5 25 33 A L + 0 0 0 296,-1.8 313,-2.8 -2,-1.0 316,-0.2 0.252 43.2 104.1 -99.8 9.9 -13.8 20.3 -11.7 26 34 A S S S- 0 0 11 295,-0.5 -1,-0.1 311,-0.2 296,-0.1 0.716 78.5-136.8 -68.5 -23.7 -15.0 21.3 -15.2 27 35 A G S S+ 0 0 32 -3,-0.3 2,-0.6 311,-0.2 -1,-0.1 -0.046 82.4 96.1 91.6 -27.4 -11.8 20.3 -16.8 28 36 A L + 0 0 111 2,-0.0 2,-0.5 313,-0.0 -3,-0.1 -0.127 57.9 126.8 -88.3 39.7 -11.7 23.4 -19.0 29 37 A S - 0 0 63 -2,-0.6 2,-0.3 -5,-0.1 -5,-0.0 -0.850 54.2-141.1-113.5 128.4 -9.4 25.5 -16.7 30 38 A G - 0 0 41 -2,-0.5 2,-0.8 173,-0.1 173,-0.1 -0.623 26.1-138.0 -72.9 135.6 -6.2 27.4 -17.3 31 39 A G - 0 0 16 173,-2.7 2,-1.0 -2,-0.3 211,-0.1 -0.827 21.7-178.3-108.2 99.9 -3.9 27.0 -14.3 32 40 A F + 0 0 96 -2,-0.8 2,-0.2 172,-0.2 172,-0.1 -0.776 12.1 165.0-102.3 95.9 -2.1 30.1 -13.2 33 41 A L + 0 0 33 -2,-1.0 2,-0.2 170,-0.3 -1,-0.1 -0.317 13.4 144.5-110.7 48.5 0.1 29.0 -10.3 34 42 A I - 0 0 40 -2,-0.2 2,-0.2 1,-0.1 204,-0.1 -0.502 34.1-144.0 -87.8 155.9 2.7 31.8 -9.7 35 43 A D > - 0 0 56 -2,-0.2 4,-2.3 1,-0.0 5,-0.2 -0.481 33.3 -90.8-109.1-177.4 4.0 32.7 -6.2 36 44 A E H > S+ 0 0 144 1,-0.2 4,-2.8 2,-0.2 5,-0.1 0.857 125.2 55.5 -65.7 -35.3 5.0 36.0 -4.6 37 45 A K H > S+ 0 0 148 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.910 110.3 46.9 -58.7 -46.3 8.6 35.6 -5.6 38 46 A D H > S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.910 111.2 50.4 -60.4 -47.3 7.4 35.3 -9.2 39 47 A K H X S+ 0 0 99 -4,-2.3 4,-0.8 2,-0.2 -2,-0.2 0.913 109.9 51.2 -59.4 -43.3 5.1 38.3 -8.9 40 48 A A H >< S+ 0 0 62 -4,-2.8 3,-1.1 1,-0.2 -2,-0.2 0.934 110.9 48.7 -55.4 -50.6 8.0 40.3 -7.5 41 49 A L H >< S+ 0 0 41 -4,-2.2 3,-1.5 1,-0.3 6,-0.5 0.813 104.3 58.7 -60.4 -37.4 10.2 39.2 -10.5 42 50 A L H 3< S+ 0 0 38 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.680 98.9 60.7 -69.0 -18.2 7.5 40.1 -13.0 43 51 A N T << S+ 0 0 129 -3,-1.1 2,-0.3 -4,-0.8 -1,-0.3 0.206 100.5 68.0 -94.5 15.0 7.6 43.7 -11.7 44 52 A T S X S- 0 0 61 -3,-1.5 3,-1.3 1,-0.1 4,-0.3 -0.920 87.4-119.0-124.7 158.8 11.3 44.1 -12.6 45 53 A Y T > S+ 0 0 206 -2,-0.3 3,-0.9 1,-0.2 4,-0.5 0.810 110.7 65.1 -64.9 -30.5 13.1 44.2 -16.0 46 54 A I T 3> S+ 0 0 71 1,-0.2 4,-2.0 2,-0.1 -1,-0.2 0.523 82.0 83.6 -70.5 -5.2 15.1 41.0 -15.2 47 55 A G H <> S+ 0 0 1 -3,-1.3 4,-2.5 -6,-0.5 5,-0.3 0.852 83.2 55.8 -64.2 -39.6 11.8 39.1 -15.2 48 56 A S H <> S+ 0 0 66 -3,-0.9 4,-1.8 -4,-0.3 -1,-0.2 0.940 113.8 38.2 -61.6 -50.1 11.7 38.6 -19.0 49 57 A S H > S+ 0 0 75 -4,-0.5 4,-2.2 2,-0.2 -1,-0.2 0.867 115.1 56.1 -68.1 -40.5 15.1 36.9 -19.2 50 58 A Y H X S+ 0 0 67 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.946 112.6 38.3 -57.9 -54.8 14.6 35.0 -15.9 51 59 A F H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.842 113.8 55.8 -73.6 -32.2 11.3 33.2 -16.9 52 60 A A H X S+ 0 0 41 -4,-1.8 4,-2.2 -5,-0.3 -1,-0.2 0.908 109.8 47.5 -61.4 -39.5 12.5 32.7 -20.5 53 61 A E H X S+ 0 0 93 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.915 112.6 47.8 -68.8 -40.3 15.6 30.9 -19.1 54 62 A K H X S+ 0 0 39 -4,-2.0 4,-2.8 2,-0.2 5,-0.3 0.881 111.7 50.7 -66.9 -39.0 13.4 28.8 -16.7 55 63 A V H X S+ 0 0 1 -4,-2.5 4,-2.3 2,-0.2 5,-0.3 0.891 110.1 49.6 -63.6 -44.8 11.0 27.9 -19.6 56 64 A N H X S+ 0 0 49 -4,-2.2 4,-2.3 3,-0.2 5,-0.2 0.937 115.1 44.9 -55.3 -49.7 13.9 26.8 -21.8 57 65 A E H X S+ 0 0 88 -4,-2.2 4,-1.7 2,-0.2 -2,-0.2 0.953 122.0 33.1 -64.2 -55.9 15.4 24.6 -19.0 58 66 A Y H X S+ 0 0 49 -4,-2.8 4,-2.1 2,-0.2 -1,-0.2 0.793 118.7 54.6 -77.2 -28.1 12.2 22.9 -17.8 59 67 A G H X S+ 0 0 0 -4,-2.3 4,-2.3 -5,-0.3 -2,-0.2 0.919 107.9 48.7 -68.6 -45.1 10.6 22.8 -21.3 60 68 A L H X>S+ 0 0 24 -4,-2.3 5,-2.2 -5,-0.3 4,-0.6 0.929 112.2 49.5 -58.6 -42.6 13.7 21.1 -22.8 61 69 A K H ><5S+ 0 0 132 -4,-1.7 3,-0.8 1,-0.2 -2,-0.2 0.933 112.9 47.2 -61.9 -44.7 13.6 18.5 -19.9 62 70 A H H 3<5S+ 0 0 24 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.856 117.2 42.4 -62.1 -36.6 9.8 18.0 -20.5 63 71 A L H 3<5S- 0 0 5 -4,-2.3 124,-0.7 -5,-0.1 125,-0.3 0.334 109.4-117.7 -99.0 3.0 10.3 17.6 -24.3 64 72 A G T <<5 + 0 0 12 -3,-0.8 -3,-0.2 -4,-0.6 -4,-0.1 0.855 54.5 165.0 62.1 39.7 13.4 15.5 -24.2 65 73 A G < - 0 0 23 -5,-2.2 2,-0.2 -6,-0.2 -1,-0.2 -0.370 25.4-138.0 -80.2 161.2 15.6 18.0 -26.0 66 74 A D > - 0 0 80 -2,-0.1 3,-1.8 4,-0.1 146,-0.1 -0.451 38.1 -79.6-108.1-172.5 19.4 17.9 -26.1 67 75 A E T 3 S+ 0 0 151 1,-0.3 -2,-0.0 -2,-0.2 -1,-0.0 0.656 126.8 58.4 -63.4 -18.0 22.2 20.5 -25.8 68 76 A N T 3 S+ 0 0 106 2,-0.0 146,-2.5 146,-0.0 -1,-0.3 0.298 98.2 83.2 -92.1 6.6 21.7 21.6 -29.4 69 77 A D E < -B 213 0B 22 -3,-1.8 2,-0.3 144,-0.2 144,-0.2 -0.731 56.7-163.1-113.6 160.6 18.0 22.5 -28.8 70 78 A K E -B 212 0B 60 142,-2.3 142,-1.7 -2,-0.3 2,-0.4 -0.949 8.1-150.3-134.3 154.3 16.1 25.4 -27.3 71 79 A C E +B 211 0B 2 -2,-0.3 2,-0.3 140,-0.2 140,-0.2 -0.997 18.4 179.8-129.1 129.7 12.6 25.7 -25.9 72 80 A V E -B 210 0B 19 138,-2.7 138,-2.9 -2,-0.4 2,-0.4 -0.870 24.7-115.9-129.1 156.2 10.6 29.0 -26.2 73 81 A G E -B 209 0B 3 -2,-0.3 158,-2.6 136,-0.2 2,-0.3 -0.801 24.2-171.1-100.0 134.6 7.1 30.1 -25.1 74 82 A F E -BC 208 230B 0 134,-3.0 134,-2.7 -2,-0.4 156,-0.3 -0.823 36.0-113.8-115.4 159.0 4.3 31.2 -27.5 75 83 A N S S- 0 0 76 154,-2.9 2,-0.3 -2,-0.3 155,-0.1 0.848 96.8 -10.8 -60.9 -35.8 1.0 32.8 -26.5 76 84 A R S > S- 0 0 106 153,-0.4 4,-1.7 131,-0.2 132,-0.3 -0.949 73.2-103.7-151.3 164.3 -0.9 29.7 -27.9 77 85 A T H > S+ 0 0 29 130,-0.3 4,-2.2 -2,-0.3 5,-0.2 0.919 123.4 57.9 -61.0 -40.2 -0.0 26.6 -29.9 78 86 A S H > S+ 0 0 53 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.853 102.9 54.3 -53.2 -40.4 -1.7 28.3 -32.9 79 87 A S H > S+ 0 0 13 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.902 108.0 48.2 -62.5 -45.4 0.7 31.2 -32.4 80 88 A A H X S+ 0 0 0 -4,-1.7 4,-2.5 2,-0.2 -2,-0.2 0.887 111.9 50.1 -62.2 -39.0 3.7 28.9 -32.6 81 89 A I H X S+ 0 0 4 -4,-2.2 4,-2.5 2,-0.2 5,-0.2 0.946 112.1 46.4 -65.8 -45.7 2.2 27.2 -35.8 82 90 A L H X S+ 0 0 38 -4,-2.6 4,-3.2 2,-0.2 5,-0.2 0.945 113.6 49.4 -59.2 -50.2 1.7 30.6 -37.5 83 91 A A H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.909 111.0 50.0 -57.0 -45.5 5.2 31.8 -36.6 84 92 A T H X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 5,-0.3 0.933 113.8 43.8 -58.6 -48.7 6.7 28.6 -37.9 85 93 A I H X S+ 0 0 0 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.912 113.9 50.8 -68.5 -40.1 4.9 28.8 -41.2 86 94 A L H < S+ 0 0 31 -4,-3.2 -1,-0.2 -5,-0.2 -2,-0.2 0.876 116.5 42.2 -61.0 -36.6 5.6 32.5 -41.6 87 95 A A H < S+ 0 0 7 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.883 120.9 37.5 -78.6 -44.6 9.4 31.8 -40.9 88 96 A L H < S- 0 0 47 -4,-2.7 -3,-0.2 -5,-0.2 -2,-0.2 0.733 84.5-157.7 -83.4 -23.2 9.9 28.7 -42.9 89 97 A K < - 0 0 162 -4,-2.1 -3,-0.1 -5,-0.3 -4,-0.1 0.907 17.0-165.4 44.6 57.7 7.6 29.8 -45.8 90 98 A P - 0 0 17 0, 0.0 -1,-0.1 0, 0.0 44,-0.1 -0.406 24.3-139.2 -70.5 149.8 7.0 26.2 -47.1 91 99 A K S S+ 0 0 152 42,-0.9 25,-2.4 1,-0.2 2,-0.3 0.824 89.0 13.5 -72.6 -33.9 5.6 25.7 -50.5 92 100 A K E -de 116 134B 59 41,-1.6 43,-2.6 23,-0.3 2,-0.4 -0.985 64.5-151.7-144.3 146.7 3.4 22.9 -49.2 93 101 A V E -de 117 135B 0 23,-2.5 25,-2.0 -2,-0.3 2,-0.5 -0.995 8.0-162.3-120.5 126.9 2.3 21.6 -45.7 94 102 A I E -de 118 136B 0 41,-2.2 43,-2.8 -2,-0.4 2,-0.6 -0.957 9.7-161.9-109.2 121.7 1.5 17.9 -45.3 95 103 A H E -de 119 137B 3 23,-3.0 25,-2.0 -2,-0.5 2,-0.5 -0.921 7.2-171.0-117.0 109.4 -0.5 17.2 -42.0 96 104 A Y E +de 120 138B 8 41,-2.7 43,-3.1 -2,-0.6 25,-0.2 -0.857 20.2 163.3 -96.2 128.1 -0.7 13.7 -40.6 97 105 A L - 0 0 7 23,-1.4 43,-0.1 -2,-0.5 3,-0.1 -0.953 48.0-112.5-146.5 158.3 -3.2 13.4 -37.8 98 106 A P S S+ 0 0 22 0, 0.0 2,-0.3 0, 0.0 49,-0.1 0.824 96.0 7.2 -65.2 -29.5 -5.1 10.6 -35.9 99 107 A E S S- 0 0 96 47,-0.1 21,-0.1 21,-0.1 47,-0.0 -0.995 88.8 -78.3-153.4 142.9 -8.6 11.5 -37.1 100 108 A L S S+ 0 0 86 -2,-0.3 2,-0.1 -3,-0.1 20,-0.0 -0.632 92.7 41.6 -85.4 149.9 -10.2 13.9 -39.6 101 109 A P S S- 0 0 111 0, 0.0 -2,-0.1 0, 0.0 2,-0.0 0.661 75.5-148.0 -90.4 164.7 -10.9 16.8 -39.6 102 110 A G - 0 0 21 1,-0.1 -2,-0.1 -2,-0.1 17,-0.0 -0.234 32.1 -84.0 -78.6 169.7 -7.9 18.7 -38.0 103 111 A H > - 0 0 145 1,-0.1 3,-0.6 -2,-0.0 4,-0.4 -0.630 44.8-127.9 -63.1 141.4 -7.8 21.8 -36.0 104 112 A P T 3> S+ 0 0 54 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.484 85.0 91.3 -78.0 -8.0 -7.8 24.8 -38.5 105 113 A S H 3> S+ 0 0 26 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.865 88.6 49.6 -62.7 -34.9 -4.8 26.9 -37.4 106 114 A I H <> S+ 0 0 3 -3,-0.6 4,-2.7 2,-0.2 -1,-0.2 0.974 114.1 43.2 -65.7 -52.8 -2.3 25.0 -39.8 107 115 A E H > S+ 0 0 61 -4,-0.4 4,-1.9 1,-0.2 -1,-0.2 0.898 115.1 51.2 -58.8 -38.9 -4.6 25.3 -42.9 108 116 A R H X S+ 0 0 142 -4,-2.6 4,-1.4 2,-0.2 -1,-0.2 0.898 109.6 49.0 -66.1 -39.1 -5.3 29.0 -42.0 109 117 A S H X S+ 0 0 7 -4,-2.3 4,-1.4 -5,-0.2 -2,-0.2 0.884 108.9 54.4 -66.2 -40.9 -1.6 29.8 -41.6 110 118 A C H <>S+ 0 0 1 -4,-2.7 5,-2.5 1,-0.2 4,-0.5 0.891 103.1 56.3 -58.4 -38.8 -1.0 28.1 -45.0 111 119 A K H ><5S+ 0 0 144 -4,-1.9 3,-0.8 1,-0.2 -1,-0.2 0.893 104.3 53.5 -62.3 -39.5 -3.6 30.4 -46.6 112 120 A I H 3<5S+ 0 0 117 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.863 115.9 37.1 -62.5 -39.8 -1.7 33.4 -45.3 113 121 A V T 3<5S- 0 0 41 -4,-1.4 -1,-0.2 -3,-0.1 -2,-0.2 0.316 110.8-119.3 -95.6 8.1 1.6 32.3 -46.9 114 122 A N T < 5 + 0 0 151 -3,-0.8 2,-0.3 -4,-0.5 -3,-0.2 0.855 61.2 153.1 52.1 40.2 -0.1 30.9 -50.0 115 123 A A < - 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