==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER DNA-BINDING PROTEIN 21-APR-08 2VS8 . COMPND 2 MOLECULE: HOMING ENDONUCLEASE I-DMOI; . SOURCE 2 ORGANISM_SCIENTIFIC: DESULFUROCOCCUS MOBILIS; . AUTHOR M.J.MARCAIDA,J.PRIETO,P.REDONDO,A.D.NADRA,A.ALIBES, . 551 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 30584.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 414 75.1 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 . 111 20.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.5 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 . 52 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 200 36.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 22 4.0 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 0 0 2 3 1 0 0 1 5 4 1 3 1 0 0 0 0 0 0 0 0 0 0 0 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 . 3 0 0 0 6 6 3 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 6 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 5 A E 0 0 120 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 115.4 -30.0 14.1 40.4 2 6 A N + 0 0 87 0, 0.0 4,-0.1 0, 0.0 0, 0.0 -0.524 360.0 57.3-109.3 62.2 -31.9 15.6 39.0 3 7 A V S > S+ 0 0 18 2,-0.1 4,-2.3 3,-0.1 5,-0.1 0.288 90.5 83.8-107.5 -9.1 -31.6 13.3 36.0 4 8 A S H > S+ 0 0 19 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.793 86.5 49.6 -69.5 -30.3 -32.6 10.6 38.4 5 9 A G H > S+ 0 0 0 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.907 113.0 45.8 -73.1 -42.8 -36.4 11.2 38.1 6 10 A I H > S+ 0 0 6 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.876 111.9 53.5 -66.2 -42.1 -36.3 11.2 34.4 7 11 A S H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.908 108.8 48.9 -54.9 -48.8 -34.1 8.0 34.5 8 12 A A H X S+ 0 0 0 -4,-1.6 4,-2.0 1,-0.2 -2,-0.2 0.878 111.5 50.3 -64.8 -38.7 -36.7 6.3 36.7 9 13 A Y H X S+ 0 0 31 -4,-2.0 4,-1.4 2,-0.2 -1,-0.2 0.848 110.9 46.8 -67.4 -40.7 -39.4 7.3 34.4 10 14 A L H X S+ 0 0 0 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.836 108.5 56.7 -65.4 -39.7 -37.6 6.0 31.3 11 15 A L H X S+ 0 0 0 -4,-2.3 4,-3.5 2,-0.2 5,-0.3 0.910 105.1 53.2 -59.7 -43.0 -36.9 2.7 33.2 12 16 A G H X S+ 0 0 0 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.903 112.2 43.4 -52.9 -47.9 -40.7 2.4 33.7 13 17 A L H X S+ 0 0 0 -4,-1.4 4,-2.3 2,-0.2 5,-0.3 0.857 116.3 48.0 -67.5 -41.6 -41.2 2.8 30.0 14 18 A I H X S+ 0 0 0 -4,-2.7 4,-1.4 3,-0.2 -2,-0.2 0.911 114.2 44.8 -64.8 -47.6 -38.3 0.4 29.2 15 19 A I H < S+ 0 0 41 -4,-3.5 -2,-0.2 -5,-0.2 -3,-0.2 0.960 122.8 39.1 -62.7 -44.7 -39.4 -2.3 31.7 16 20 A G H < S+ 0 0 14 -4,-2.2 -2,-0.2 -5,-0.3 -3,-0.2 0.993 136.2 7.5 -67.7 -62.7 -43.0 -1.9 30.5 17 21 A D H < S+ 0 0 43 -4,-2.3 20,-1.4 -5,-0.2 -3,-0.2 0.278 128.5 25.4-114.3 8.6 -42.9 -1.5 26.8 18 22 A G E < -A 36 0A 17 -4,-1.4 2,-0.3 -5,-0.3 18,-0.3 -0.332 69.5-135.5-140.7-139.5 -39.3 -2.0 25.8 19 23 A G E -A 35 0A 11 16,-1.9 16,-2.0 -2,-0.1 2,-0.6 -0.944 18.8-109.0 179.0 166.5 -36.3 -3.9 27.1 20 24 A L E -A 34 0A 37 -2,-0.3 2,-0.4 14,-0.2 14,-0.2 -0.962 42.2-170.6-108.0 116.9 -32.6 -4.0 27.8 21 25 A Y E -A 33 0A 112 12,-2.0 12,-3.0 -2,-0.6 2,-0.6 -0.925 20.3-166.7-120.3 130.4 -30.9 -6.3 25.4 22 26 A K E -A 32 0A 101 -2,-0.4 2,-0.2 10,-0.2 10,-0.2 -0.939 21.9-166.1-110.5 109.7 -27.3 -7.7 25.3 23 27 A L E -A 31 0A 50 8,-3.1 8,-1.2 -2,-0.6 2,-0.4 -0.608 12.3-161.7 -93.5 150.4 -26.6 -9.2 21.9 24 28 A K E +A 30 0A 120 -2,-0.2 6,-0.2 6,-0.2 2,-0.2 -1.000 16.8 178.7-125.5 138.1 -23.8 -11.5 20.8 25 29 A Y - 0 0 82 4,-2.2 2,-0.4 -2,-0.4 3,-0.2 -0.641 44.3 -58.1-120.6 177.5 -22.9 -11.9 17.1 26 30 A K S S+ 0 0 184 -2,-0.2 4,-0.1 1,-0.2 -2,-0.0 -0.747 109.1 29.0 -79.4 135.7 -20.4 -13.8 14.9 27 31 A G S S- 0 0 55 -2,-0.4 -1,-0.2 2,-0.1 3,-0.1 0.688 119.0 -66.2-124.8-169.8 -17.7 -12.5 16.2 28 32 A N S S+ 0 0 173 -3,-0.2 -2,-0.1 1,-0.2 -1,-0.1 -0.531 96.5 127.3 -73.3 48.6 -16.5 -11.5 18.5 29 33 A R + 0 0 139 -5,-0.1 -4,-2.2 1,-0.0 2,-0.3 -0.072 30.1 173.4 -63.6 159.1 -19.2 -8.7 17.8 30 34 A S E -A 24 0A 56 -6,-0.2 2,-0.3 -3,-0.1 -6,-0.2 -0.942 16.2-160.1-158.9 167.9 -21.7 -7.4 20.3 31 35 A E E -A 23 0A 36 -8,-1.2 -8,-3.1 -2,-0.3 2,-0.4 -0.957 6.8-154.9-160.2 145.5 -24.4 -4.9 20.9 32 36 A Y E -A 22 0A 25 -2,-0.3 48,-2.2 -10,-0.2 2,-0.4 -0.998 21.0-166.8-125.7 124.3 -26.2 -3.4 23.9 33 37 A R E -AB 21 79A 53 -12,-3.0 -12,-2.0 -2,-0.4 2,-0.5 -0.932 22.2-163.7-123.9 140.6 -29.6 -1.9 23.4 34 38 A V E -AB 20 78A 0 44,-2.0 44,-2.5 -2,-0.4 2,-0.4 -0.985 30.4-171.3-111.7 120.0 -32.0 0.3 25.4 35 39 A V E +AB 19 77A 3 -16,-2.0 -16,-1.9 -2,-0.5 2,-0.4 -0.971 26.0 173.9-127.3 133.0 -35.5 -0.1 23.9 36 40 A I E -AB 18 76A 2 40,-2.0 40,-3.2 -2,-0.4 2,-0.3 -0.993 18.1-164.4-122.8 123.1 -38.9 1.6 24.2 37 41 A T E + B 0 75A 36 -20,-1.4 2,-0.3 -2,-0.4 38,-0.2 -0.847 15.7 161.5-105.9 152.5 -41.6 0.5 21.7 38 42 A Q E - B 0 74A 33 36,-2.2 36,-3.4 -2,-0.3 -2,-0.0 -0.960 41.7-128.0-166.6 146.8 -44.8 2.4 21.1 39 43 A K S S+ 0 0 177 -2,-0.3 2,-0.3 34,-0.3 -1,-0.1 0.880 87.6 64.3 -72.1 -37.9 -47.5 2.6 18.4 40 44 A S - 0 0 52 2,-0.1 5,-0.1 1,-0.1 34,-0.1 -0.684 64.8-148.4 -97.5 142.7 -47.5 6.4 17.8 41 45 A E S >> S+ 0 0 90 -2,-0.3 4,-3.6 3,-0.2 3,-0.6 0.791 92.6 71.9 -76.7 -30.4 -44.6 8.6 16.5 42 46 A N T 34 S+ 0 0 96 2,-0.2 -2,-0.1 1,-0.2 -3,-0.0 -0.724 102.2 30.3 -71.4 137.0 -46.0 11.3 18.7 43 47 A L T 34 S+ 0 0 53 -2,-0.4 5,-0.4 -4,-0.1 -1,-0.2 0.232 124.2 55.8 83.1 -12.7 -45.2 10.4 22.3 44 48 A I T <4>S+ 0 0 3 -3,-0.6 5,-3.0 3,-0.1 -2,-0.2 0.709 121.6 20.6 -99.9 -57.3 -42.1 8.7 20.8 45 49 A K T <5S+ 0 0 84 -4,-3.6 -3,-0.2 3,-0.2 -4,-0.1 0.768 134.7 39.1 -81.9 -25.8 -40.5 11.6 18.9 46 50 A Q T 5S+ 0 0 116 -5,-0.5 -1,-0.1 3,-0.1 -4,-0.1 0.740 132.3 11.9-103.5 -23.4 -42.2 14.4 20.8 47 51 A H T >5S+ 0 0 119 3,-0.1 4,-0.8 4,-0.0 -3,-0.1 0.737 129.4 37.1-117.3 -47.7 -42.3 13.2 24.5 48 52 A I H >5S+ 0 0 1 -5,-0.4 4,-2.0 2,-0.2 3,-0.4 0.950 111.3 54.6 -76.2 -53.4 -40.1 10.1 25.0 49 53 A A H > S+ 0 0 45 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.814 109.6 52.2 -71.2 -30.3 -36.3 14.3 24.1 51 55 A L H X S+ 0 0 22 -4,-0.8 4,-1.7 -3,-0.4 -2,-0.2 0.906 113.9 43.8 -64.3 -39.0 -36.3 12.8 27.6 52 56 A M H X S+ 0 0 0 -4,-2.0 4,-3.0 1,-0.2 5,-0.2 0.944 111.9 53.4 -71.7 -49.5 -33.9 10.2 26.4 53 57 A Q H X S+ 0 0 79 -4,-3.3 4,-2.1 2,-0.2 -1,-0.2 0.875 106.3 53.2 -44.7 -47.4 -31.8 12.8 24.6 54 58 A F H X S+ 0 0 45 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.943 112.4 43.8 -56.8 -50.5 -31.6 14.8 27.7 55 59 A L H X S+ 0 0 0 -4,-1.7 4,-2.5 2,-0.2 -2,-0.2 0.883 110.9 53.2 -61.0 -50.6 -30.2 11.8 29.7 56 60 A I H X>S+ 0 0 2 -4,-3.0 5,-2.9 2,-0.2 4,-0.6 0.892 113.3 45.9 -46.7 -45.2 -27.8 10.7 26.9 57 61 A D H ><5S+ 0 0 96 -4,-2.1 3,-0.5 -5,-0.2 -2,-0.2 0.920 113.5 47.1 -69.3 -45.8 -26.5 14.3 27.0 58 62 A E H 3<5S+ 0 0 112 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.870 116.4 45.1 -61.4 -34.0 -26.2 14.5 30.8 59 63 A L H 3<5S- 0 0 35 -4,-2.5 -1,-0.2 -5,-0.1 -2,-0.2 0.475 110.3-122.0 -97.6 -5.1 -24.5 11.1 30.9 60 64 A N T <<5 + 0 0 136 -4,-0.6 2,-0.4 -3,-0.5 -3,-0.2 0.843 47.2 171.6 73.7 35.3 -22.2 11.9 28.0 61 65 A V < - 0 0 12 -5,-2.9 -1,-0.2 -6,-0.2 -2,-0.1 -0.671 26.8-155.0 -91.2 131.5 -23.3 9.0 25.9 62 66 A K + 0 0 107 -2,-0.4 -1,-0.1 2,-0.0 18,-0.1 0.586 57.8 105.5 -85.2 -11.2 -22.0 9.0 22.3 63 67 A S - 0 0 36 1,-0.1 2,-0.2 -7,-0.1 17,-0.1 -0.264 66.7-117.5 -78.4 155.4 -24.8 6.9 20.7 64 68 A K - 0 0 159 15,-0.2 2,-0.7 -2,-0.0 15,-0.6 -0.506 21.6-118.8 -77.2 152.0 -27.7 8.0 18.5 65 69 A I E -C 78 0A 29 -2,-0.2 2,-0.4 13,-0.1 13,-0.2 -0.896 35.9-160.3 -85.6 119.8 -31.3 7.8 19.2 66 70 A Q E -C 77 0A 64 11,-2.5 11,-2.7 -2,-0.7 2,-0.5 -0.859 11.6-163.0-100.6 134.1 -32.7 5.5 16.5 67 71 A I E -C 76 0A 58 -2,-0.4 2,-0.5 9,-0.2 9,-0.2 -0.967 13.4-174.8-117.3 110.4 -36.4 5.4 15.7 68 72 A V E -C 75 0A 55 7,-2.5 7,-2.2 -2,-0.5 2,-0.4 -0.925 17.4-137.4-111.7 123.6 -37.1 2.3 13.7 69 73 A K E -C 74 0A 150 -2,-0.5 2,-0.2 5,-0.2 5,-0.2 -0.650 21.1-171.6 -81.3 131.7 -40.6 1.8 12.2 70 74 A G - 0 0 22 3,-2.2 5,-0.0 -2,-0.4 0, 0.0 -0.716 38.0-108.4-110.6 171.2 -42.2 -1.7 12.5 71 75 A D S S+ 0 0 174 -2,-0.2 3,-0.1 1,-0.2 -1,-0.1 0.812 120.1 26.4 -66.4 -26.7 -45.4 -3.0 11.0 72 76 A T S S- 0 0 122 1,-0.3 2,-0.3 -34,-0.0 -1,-0.2 0.536 131.4 -7.9-114.8 -11.2 -47.0 -3.0 14.4 73 77 A R - 0 0 79 -5,-0.0 -3,-2.2 2,-0.0 -1,-0.3 -0.981 66.1 -97.7-170.8 166.5 -45.2 -0.3 16.4 74 78 A Y E -BC 38 69A 43 -36,-3.4 -36,-2.2 -2,-0.3 2,-0.5 -0.688 30.8-147.5 -91.2 153.8 -42.3 2.1 16.5 75 79 A E E -BC 37 68A 16 -7,-2.2 -7,-2.5 -2,-0.3 2,-0.6 -0.965 5.5-159.1-126.9 116.0 -39.0 1.3 18.3 76 80 A L E -BC 36 67A 2 -40,-3.2 -40,-2.0 -2,-0.5 2,-0.4 -0.849 26.2-177.2 -85.8 124.5 -36.9 3.9 20.1 77 81 A R E -BC 35 66A 36 -11,-2.7 -11,-2.5 -2,-0.6 2,-0.6 -0.983 23.7-170.7-130.2 127.0 -33.4 2.3 20.3 78 82 A V E -BC 34 65A 0 -44,-2.5 -44,-2.0 -2,-0.4 2,-0.9 -0.956 12.6-156.7-112.5 118.4 -30.2 3.4 21.9 79 83 A S E +B 33 0A 34 -2,-0.6 2,-0.2 -15,-0.6 -46,-0.2 -0.810 44.6 126.5 -91.7 106.3 -27.2 1.2 21.0 80 84 A S > - 0 0 11 -48,-2.2 4,-2.3 -2,-0.9 5,-0.2 -0.777 52.7-154.3-170.0 117.3 -24.8 1.8 23.9 81 85 A K H > S+ 0 0 119 -2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.888 100.8 53.3 -62.6 -38.9 -23.0 -0.3 26.4 82 86 A K H > S+ 0 0 120 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.903 113.6 39.6 -62.9 -51.3 -22.8 2.6 28.9 83 87 A L H > S+ 0 0 0 2,-0.2 4,-2.8 3,-0.2 5,-0.3 0.846 110.9 58.7 -69.2 -37.9 -26.6 3.3 28.9 84 88 A Y H X S+ 0 0 36 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.979 113.9 39.1 -50.8 -54.4 -27.5 -0.4 28.8 85 89 A Y H X S+ 0 0 81 -4,-2.1 4,-2.9 2,-0.2 5,-0.2 0.793 110.3 59.9 -69.9 -35.1 -25.6 -0.9 32.0 86 90 A Y H X S+ 0 0 60 -4,-1.8 4,-1.8 2,-0.2 -1,-0.2 0.957 114.6 36.0 -53.4 -56.8 -26.8 2.4 33.4 87 91 A F H X S+ 0 0 0 -4,-2.8 4,-2.2 2,-0.2 -2,-0.2 0.876 117.5 51.7 -67.5 -37.8 -30.4 1.3 33.2 88 92 A A H X S+ 0 0 15 -4,-2.6 4,-1.7 -5,-0.3 -2,-0.2 0.898 111.5 47.5 -66.3 -39.2 -29.6 -2.4 34.1 89 93 A N H X S+ 0 0 67 -4,-2.9 4,-0.9 1,-0.2 -1,-0.2 0.878 111.3 51.5 -70.6 -35.8 -27.7 -1.4 37.2 90 94 A M H >< S+ 0 0 8 -4,-1.8 3,-0.5 -5,-0.2 -2,-0.2 0.876 105.4 55.2 -61.8 -43.7 -30.5 1.0 38.2 91 95 A L H >< S+ 0 0 55 -4,-2.2 3,-1.8 1,-0.2 -2,-0.2 0.926 104.4 54.7 -56.3 -44.4 -33.1 -1.8 37.8 92 96 A E H 3< S+ 0 0 136 -4,-1.7 3,-0.3 1,-0.3 -1,-0.2 0.774 110.6 45.9 -56.5 -30.5 -31.0 -3.9 40.2 93 97 A R T X< S+ 0 0 117 -4,-0.9 3,-2.4 -3,-0.5 -1,-0.3 0.236 76.5 120.6 -96.7 9.0 -31.2 -1.1 42.8 94 98 A I G X + 0 0 5 -3,-1.8 3,-1.3 1,-0.3 -1,-0.2 0.738 65.3 62.6 -52.3 -29.0 -35.0 -0.5 42.3 95 99 A R G 3 S+ 0 0 161 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.712 99.2 56.2 -70.4 -18.8 -35.9 -1.2 45.9 96 100 A L G < S+ 0 0 143 -3,-2.4 -1,-0.3 2,-0.0 -2,-0.2 0.306 75.8 134.5 -96.7 5.0 -33.8 1.8 47.0 97 101 A F < - 0 0 7 -3,-1.3 2,-0.0 -4,-0.2 -3,-0.0 -0.282 51.8-131.8 -55.4 134.0 -35.7 4.3 44.9 98 102 A N > - 0 0 79 1,-0.1 4,-2.9 4,-0.0 5,-0.1 -0.237 36.1 -88.2 -77.7 178.2 -36.6 7.5 46.8 99 103 A M H > S+ 0 0 104 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.883 128.3 53.0 -57.6 -42.9 -40.1 9.0 46.5 100 104 A R H > S+ 0 0 88 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.929 113.7 41.6 -56.5 -52.2 -39.2 11.0 43.4 101 105 A E H > S+ 0 0 31 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.879 112.4 56.8 -66.1 -38.2 -37.9 7.9 41.6 102 106 A Q H X S+ 0 0 21 -4,-2.9 4,-2.5 2,-0.2 -2,-0.2 0.933 110.9 41.6 -52.5 -54.4 -40.8 5.8 42.9 103 107 A I H X S+ 0 0 4 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.924 116.1 48.9 -64.4 -51.0 -43.5 8.1 41.5 104 108 A A H X S+ 0 0 2 -4,-2.3 4,-2.6 2,-0.2 5,-0.2 0.909 112.4 49.2 -55.3 -48.2 -41.6 8.6 38.1 105 109 A F H X S+ 0 0 0 -4,-3.0 4,-2.7 1,-0.2 -2,-0.2 0.967 112.6 46.5 -57.9 -50.8 -41.1 4.9 37.8 106 110 A I H X S+ 0 0 0 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.854 111.0 54.0 -61.5 -35.8 -44.8 4.2 38.5 107 111 A K H X S+ 0 0 60 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.932 111.7 42.9 -61.8 -49.5 -45.8 6.9 36.0 108 112 A G H X S+ 0 0 0 -4,-2.6 4,-2.8 1,-0.2 -2,-0.2 0.885 113.2 53.0 -65.2 -39.8 -43.7 5.4 33.2 109 113 A L H X S+ 0 0 0 -4,-2.7 4,-3.2 -5,-0.2 -1,-0.2 0.886 110.8 47.2 -59.8 -41.9 -44.9 1.9 34.0 110 114 A Y H X S+ 0 0 5 -4,-2.1 4,-4.5 2,-0.2 -2,-0.2 0.915 110.5 51.2 -67.7 -44.9 -48.5 3.0 33.9 111 115 A V H < S+ 0 0 31 -4,-2.2 -2,-0.2 2,-0.2 -1,-0.2 0.946 114.4 45.8 -55.2 -51.6 -47.9 4.8 30.6 112 116 A A H < S- 0 0 9 -4,-2.8 -2,-0.2 1,-0.1 -1,-0.2 0.987 141.3 -6.1 -45.7 -68.2 -46.4 1.6 29.3 113 117 A E H < S+ 0 0 44 -4,-3.2 11,-1.5 -5,-0.1 -2,-0.2 0.032 92.8 119.6-136.6 33.8 -49.1 -0.7 30.5 114 118 A G B < S-D 123 0B 6 -4,-4.5 2,-0.6 9,-0.2 9,-0.2 -0.431 75.8 -86.9 -91.9 172.2 -51.7 0.9 32.7 115 119 A D - 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