==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 06-JAN-06 2DCH . COMPND 2 MOLECULE: PUTATIVE HOMING ENDONUCLEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOPROTEUS; . AUTHOR H.NAKAYAMA,H.TSUGE,T.SHIMAMURA,M.MIYANO,N.NOMURA,Y.SAKO . 204 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11098.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 154 75.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 1.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 42 20.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 1.0 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 . 19 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 23 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 61 29.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 2.5 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 0 0 0 1 1 0 0 2 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 0 0 1 0 1 3 0 0 1 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 1 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 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 -10 X H 0 0 242 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 91.6 9.8 71.9 68.4 2 -9 X S + 0 0 115 2,-0.0 2,-0.2 1,-0.0 3,-0.1 -0.491 360.0 152.0 -78.8 127.5 12.6 69.6 69.4 3 -8 X S + 0 0 104 -2,-0.3 3,-0.1 1,-0.1 -1,-0.0 -0.765 35.3 75.1-140.0-178.2 11.9 66.8 72.0 4 -7 X G S S+ 0 0 26 1,-0.3 2,-0.2 -2,-0.2 -1,-0.1 0.580 71.9 126.4 83.9 10.1 12.9 63.4 73.1 5 -6 X L S S- 0 0 107 -3,-0.1 -1,-0.3 1,-0.1 3,-0.0 -0.473 75.7 -86.6 -94.0 165.9 16.1 64.8 74.7 6 -5 X V - 0 0 5 -2,-0.2 8,-0.1 -3,-0.1 -1,-0.1 -0.657 60.7-106.5 -71.6 122.3 17.3 64.3 78.3 7 -4 X P + 0 0 42 0, 0.0 6,-2.5 0, 0.0 7,-0.6 -0.155 42.2 179.2 -55.9 143.7 15.5 67.0 80.2 8 -3 X R > + 0 0 124 4,-0.3 3,-0.7 5,-0.1 2,-0.2 -0.598 42.4 52.1-125.3-175.8 17.5 70.0 81.4 9 -2 X G G > S- 0 0 50 1,-0.2 3,-1.3 -2,-0.2 0, 0.0 -0.469 115.0 -18.0 88.5-151.7 16.3 73.1 83.3 10 -1 X S G 3 S+ 0 0 118 1,-0.3 -1,-0.2 -2,-0.2 0, 0.0 0.693 145.6 38.0 -68.2 -24.5 14.2 73.1 86.5 11 0 X H G < S+ 0 0 151 -3,-0.7 -1,-0.3 2,-0.0 -2,-0.1 -0.239 87.9 163.2-121.1 45.3 13.2 69.5 86.0 12 1 X M < - 0 0 105 -3,-1.3 -4,-0.3 1,-0.1 4,-0.1 -0.186 25.1-174.4 -63.4 154.2 16.5 68.2 84.6 13 2 X K > + 0 0 50 -6,-2.5 4,-2.5 2,-0.1 5,-0.3 0.109 46.4 117.4-138.6 16.3 17.3 64.5 84.5 14 3 X V H > S+ 0 0 2 -7,-0.6 4,-2.8 1,-0.2 5,-0.2 0.952 82.5 41.4 -54.9 -54.4 20.9 64.5 83.3 15 4 X W H > S+ 0 0 49 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.900 114.5 51.9 -62.1 -41.5 22.3 62.9 86.5 16 5 X D H > S+ 0 0 21 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.926 113.2 45.2 -61.0 -44.1 19.4 60.4 86.8 17 6 X Y H X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 -2,-0.2 0.932 113.1 49.7 -62.2 -49.7 19.9 59.3 83.1 18 7 X L H X S+ 0 0 0 -4,-2.8 4,-3.0 -5,-0.3 5,-0.4 0.879 104.3 60.7 -62.1 -33.8 23.7 59.1 83.6 19 8 X C H X S+ 0 0 0 -4,-2.6 4,-2.3 -5,-0.2 -1,-0.2 0.952 111.5 37.7 -55.5 -51.1 23.2 57.0 86.7 20 9 X G H X S+ 0 0 0 -4,-1.6 4,-2.0 2,-0.2 -2,-0.2 0.901 116.5 52.4 -67.5 -40.7 21.4 54.3 84.7 21 10 X L H X S+ 0 0 0 -4,-2.7 4,-2.8 2,-0.2 5,-0.2 0.936 114.8 41.2 -58.8 -48.3 23.7 54.7 81.7 22 11 X I H X S+ 0 0 1 -4,-3.0 4,-2.6 1,-0.2 -1,-0.2 0.878 110.6 56.8 -74.5 -36.3 26.9 54.3 83.8 23 12 X A H < S+ 0 0 7 -4,-2.3 -1,-0.2 -5,-0.4 -2,-0.2 0.897 116.3 39.0 -58.1 -40.5 25.4 51.5 85.9 24 13 X A H < S+ 0 0 19 -4,-2.0 -2,-0.2 -5,-0.1 -1,-0.2 0.889 136.7 13.3 -74.2 -44.2 24.8 49.7 82.5 25 14 X D H < S+ 0 0 11 -4,-2.8 12,-2.8 -5,-0.1 2,-0.2 0.309 108.6 87.2-120.8 8.7 28.0 50.6 80.7 26 15 X G E < -A 36 0A 24 -4,-2.6 2,-0.4 10,-0.2 10,-0.2 -0.613 48.9-157.2-113.8 160.5 30.5 52.0 83.3 27 16 X H E -A 35 0A 76 8,-2.1 8,-2.4 -2,-0.2 2,-0.4 -0.981 9.1-150.8-140.4 136.5 33.1 51.0 85.8 28 17 X L E -A 34 0A 1 -2,-0.4 63,-2.5 61,-0.3 2,-0.2 -0.818 22.2-154.2 -99.2 137.0 34.3 52.9 88.8 29 18 X D > - 0 0 23 4,-2.1 3,-1.7 -2,-0.4 63,-0.0 -0.689 30.5-104.1-117.5 169.0 37.8 52.3 89.9 30 19 X E T 3 S+ 0 0 195 1,-0.3 -1,-0.1 -2,-0.2 -2,-0.0 0.746 118.0 58.1 -56.0 -28.9 40.0 52.4 93.0 31 20 X E T 3 S- 0 0 121 2,-0.1 -1,-0.3 1,-0.0 -3,-0.0 0.626 120.9-103.0 -80.3 -13.8 41.6 55.7 91.8 32 21 X G S < S+ 0 0 15 -3,-1.7 44,-0.5 1,-0.3 2,-0.3 0.578 75.2 136.0 101.0 11.2 38.2 57.5 91.6 33 22 X Y E - B 0 75A 79 42,-0.2 -4,-2.1 47,-0.0 2,-0.5 -0.659 44.2-147.4 -93.1 147.0 37.7 57.4 87.9 34 23 X I E -AB 28 74A 0 40,-2.8 40,-2.7 -2,-0.3 2,-0.5 -0.954 13.1-165.0-108.0 127.0 34.5 56.6 86.0 35 24 X T E -AB 27 73A 2 -8,-2.4 -8,-2.1 -2,-0.5 2,-0.5 -0.978 1.1-163.2-119.1 120.0 34.9 54.8 82.7 36 25 X I E -AB 26 72A 0 36,-2.6 36,-2.4 -2,-0.5 2,-0.5 -0.888 8.4-159.1 -99.8 123.4 31.9 54.6 80.3 37 26 X L E + B 0 71A 47 -12,-2.8 2,-0.3 -2,-0.5 34,-0.2 -0.929 19.2 160.3-110.6 122.0 32.2 52.0 77.5 38 27 X Q E - B 0 70A 19 32,-2.2 32,-3.0 -2,-0.5 6,-0.0 -0.989 28.7-157.4-138.0 138.1 30.2 52.1 74.2 39 28 X K S S+ 0 0 163 -2,-0.3 2,-0.5 30,-0.3 -1,-0.1 0.888 79.4 74.3 -71.3 -42.0 30.8 50.4 70.9 40 29 X D >> - 0 0 51 1,-0.1 4,-2.0 30,-0.1 3,-0.6 -0.635 65.9-159.7 -87.5 120.0 28.8 52.8 68.8 41 30 X R H 3> S+ 0 0 94 -2,-0.5 4,-2.1 1,-0.2 -1,-0.1 0.781 88.6 59.8 -72.5 -29.4 30.6 56.2 68.3 42 31 X R H 3> S+ 0 0 99 2,-0.2 4,-0.8 1,-0.2 -1,-0.2 0.803 108.5 46.7 -69.7 -24.0 27.5 58.2 67.4 43 32 X F H X> S+ 0 0 0 -3,-0.6 4,-2.2 2,-0.2 3,-0.8 0.914 107.1 57.6 -79.6 -41.9 26.1 57.3 70.8 44 33 X I H 3X S+ 0 0 0 -4,-2.0 4,-2.6 1,-0.3 -2,-0.2 0.900 101.9 56.5 -45.7 -47.6 29.4 58.2 72.4 45 34 X D H 3X S+ 0 0 80 -4,-2.1 4,-1.8 1,-0.2 -1,-0.3 0.853 106.1 49.2 -56.1 -38.6 29.0 61.6 70.9 46 35 X K H S+ 0 0 0 -4,-2.7 5,-2.6 2,-0.2 4,-0.6 0.927 110.2 52.6 -66.8 -41.7 28.5 65.4 80.2 52 41 X K H ><5S+ 0 0 139 -4,-2.6 3,-1.4 -5,-0.2 -2,-0.2 0.943 109.2 51.1 -55.3 -49.6 29.5 68.8 78.8 53 42 X S H 3<5S+ 0 0 49 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.848 107.8 51.1 -53.1 -41.7 26.1 70.0 79.7 54 43 X A H 3<5S- 0 0 14 -4,-1.9 -1,-0.3 2,-0.1 -2,-0.2 0.516 116.5-114.3 -77.8 -3.5 26.3 68.7 83.3 55 44 X E T <<5 + 0 0 148 -3,-1.4 2,-0.7 -4,-0.6 -3,-0.2 0.737 68.4 146.3 75.4 25.2 29.7 70.5 83.6 56 45 X I < - 0 0 4 -5,-2.6 -1,-0.3 -6,-0.2 2,-0.2 -0.862 43.3-139.3 -98.5 115.1 31.5 67.2 84.0 57 46 X K - 0 0 181 -2,-0.7 18,-0.6 18,-0.2 2,-0.5 -0.484 9.8-130.2 -77.1 139.3 34.9 67.4 82.4 58 47 X I E -C 74 0A 46 -2,-0.2 16,-0.2 1,-0.2 3,-0.1 -0.819 13.7-165.7 -91.3 123.4 36.1 64.5 80.3 59 48 X S E S- 0 0 69 14,-2.3 2,-0.3 -2,-0.5 15,-0.2 0.932 70.9 -14.4 -71.2 -50.2 39.7 63.3 81.3 60 49 X S E -C 73 0A 47 13,-1.1 13,-3.1 2,-0.0 2,-0.4 -0.991 48.2-159.7-151.4 156.6 40.1 61.2 78.2 61 50 X L E +C 72 0A 58 -2,-0.3 2,-0.4 11,-0.2 11,-0.2 -0.954 29.9 158.2-135.0 116.1 38.3 59.7 75.2 62 51 X F E -C 71 0A 82 9,-2.0 9,-2.1 -2,-0.4 2,-0.8 -0.998 41.6-120.7-145.3 143.2 40.0 56.8 73.5 63 52 X Y E -C 70 0A 101 -2,-0.4 2,-1.0 7,-0.2 7,-0.2 -0.740 23.9-143.3 -84.1 107.2 39.1 53.9 71.2 64 53 X D E >> -C 69 0A 39 5,-2.2 4,-1.9 -2,-0.8 5,-1.0 -0.611 12.5-165.4 -67.3 103.8 40.1 50.6 72.9 65 54 X K T 45S+ 0 0 188 -2,-1.0 -1,-0.2 3,-0.2 5,-0.0 0.822 82.6 51.9 -63.4 -32.3 41.2 48.7 69.8 66 55 X G T 45S+ 0 0 74 1,-0.2 -1,-0.1 -3,-0.1 -2,-0.1 0.993 117.0 32.7 -68.3 -67.3 41.2 45.4 71.7 67 56 X A T 45S- 0 0 69 2,-0.1 -2,-0.2 1,-0.1 -1,-0.2 0.766 104.6-127.5 -59.2 -29.8 37.7 45.4 73.3 68 57 X G T <5 + 0 0 22 -4,-1.9 2,-0.3 1,-0.3 -3,-0.2 0.770 68.7 112.2 84.7 28.9 36.4 47.3 70.2 69 58 X V E < - C 0 64A 20 -5,-1.0 -5,-2.2 -7,-0.0 2,-0.4 -0.859 67.7-116.4-131.3 157.9 34.8 50.0 72.3 70 59 X W E -BC 38 63A 57 -32,-3.0 -32,-2.2 -2,-0.3 2,-0.5 -0.798 29.6-153.8 -90.2 141.7 35.1 53.8 73.0 71 60 X K E -BC 37 62A 44 -9,-2.1 -9,-2.0 -2,-0.4 2,-0.6 -0.982 7.5-162.4-122.1 124.4 36.0 54.7 76.6 72 61 X I E -BC 36 61A 0 -36,-2.4 -36,-2.6 -2,-0.5 2,-0.5 -0.946 12.4-157.1-103.2 122.4 35.1 57.9 78.2 73 62 X K E -BC 35 60A 42 -13,-3.1 -14,-2.3 -2,-0.6 -13,-1.1 -0.875 12.0-177.1-101.9 131.1 37.1 58.6 81.4 74 63 X V E -BC 34 58A 1 -40,-2.7 -40,-2.8 -2,-0.5 2,-0.6 -0.992 16.5-165.2-130.4 135.5 35.8 61.0 83.9 75 64 X K E +B 33 0A 108 -18,-0.6 2,-0.3 -2,-0.4 -18,-0.2 -0.866 35.1 138.8-120.7 95.2 37.4 62.2 87.2 76 65 X D > - 0 0 28 -2,-0.6 4,-2.7 -44,-0.5 5,-0.2 -0.936 37.6-161.0-147.1 115.1 34.6 63.8 89.3 77 66 X E H > S+ 0 0 149 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.880 92.9 47.8 -66.4 -41.8 34.2 63.3 93.1 78 67 X R H > S+ 0 0 112 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.842 116.3 43.5 -70.1 -37.0 30.6 64.5 93.3 79 68 X L H > S+ 0 0 1 2,-0.2 4,-2.8 3,-0.2 -2,-0.2 0.887 112.8 52.6 -72.5 -42.5 29.5 62.2 90.4 80 69 X Y H X S+ 0 0 45 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.910 113.1 45.0 -59.2 -44.0 31.6 59.3 91.7 81 70 X R H X S+ 0 0 126 -4,-2.5 4,-1.4 2,-0.2 -1,-0.2 0.868 111.3 52.0 -68.5 -41.8 29.9 59.7 95.1 82 71 X Y H < S+ 0 0 51 -4,-1.8 3,-0.4 1,-0.2 -2,-0.2 0.950 111.0 48.6 -58.7 -48.8 26.4 60.0 93.7 83 72 X L H ><>S+ 0 0 0 -4,-2.8 5,-2.3 1,-0.2 3,-1.6 0.913 111.0 48.2 -58.7 -46.6 26.9 56.9 91.7 84 73 X V H ><5S+ 0 0 49 -4,-2.1 3,-0.6 1,-0.3 -1,-0.2 0.726 109.7 54.3 -71.0 -19.0 28.2 54.8 94.6 85 74 X N T 3<5S+ 0 0 112 -4,-1.4 -1,-0.3 -3,-0.4 14,-0.2 0.382 106.9 53.7 -90.9 3.9 25.3 56.0 96.7 86 75 X N T < 5S- 0 0 8 -3,-1.6 -1,-0.2 -4,-0.2 -2,-0.2 -0.100 128.8 -84.0-131.3 34.4 22.9 54.8 94.0 87 76 X G T < 5S+ 0 0 9 -3,-0.6 9,-2.0 1,-0.2 2,-1.3 0.366 86.1 131.0 89.2 -2.6 24.0 51.2 93.6 88 77 X V < - 0 0 4 -5,-2.3 -1,-0.2 -6,-0.2 -2,-0.1 -0.696 43.2-162.8 -87.3 92.8 26.9 51.6 91.2 89 78 X I - 0 0 96 -2,-1.3 -61,-0.3 1,-0.1 -5,-0.0 -0.551 14.4-121.3 -83.5 132.8 29.6 49.6 93.0 90 79 X P S S+ 0 0 55 0, 0.0 2,-0.5 0, 0.0 -61,-0.2 -0.090 71.9 52.8 -65.2 172.0 33.2 50.0 92.1 91 80 X G 0 0 47 -63,-2.5 -61,-0.0 0, 0.0 0, 0.0 -0.920 360.0 360.0 112.8-123.0 35.4 47.2 90.8 92 81 X K 0 0 264 -2,-0.5 -3,-0.0 -65,-0.1 -64,-0.0 -0.824 360.0 360.0-140.1 360.0 34.7 44.8 87.9 93 ! 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 94 85 X V 0 0 133 0, 0.0 2,-0.1 0, 0.0 -5,-0.1 0.000 360.0 360.0 360.0 112.3 26.2 42.5 91.4 95 86 X L - 0 0 35 -7,-0.1 49,-0.4 -72,-0.1 -7,-0.2 -0.362 360.0-137.0 -72.9 160.6 24.7 46.1 91.0 96 87 X R - 0 0 136 -9,-2.0 -7,-0.1 47,-0.1 48,-0.0 -0.890 26.1 -95.7-115.6 154.6 22.1 47.4 93.4 97 88 X P - 0 0 23 0, 0.0 2,-0.1 0, 0.0 47,-0.1 -0.250 48.6-105.4 -55.3 151.4 19.0 49.4 92.5 98 89 X P - 0 0 9 0, 0.0 -12,-0.2 0, 0.0 -11,-0.1 -0.336 40.7 -94.9 -73.4 168.2 19.4 53.2 92.9 99 90 X S > - 0 0 53 -14,-0.2 3,-1.1 1,-0.1 -13,-0.0 -0.148 38.7 -95.7 -75.6 177.7 18.0 55.1 95.8 100 91 X S T 3 S+ 0 0 128 1,-0.3 -1,-0.1 3,-0.0 -14,-0.0 0.662 117.0 69.1 -68.0 -20.8 14.6 56.9 95.9 101 92 X A T 3 S+ 0 0 91 2,-0.1 2,-0.3 3,-0.0 -1,-0.3 0.753 82.8 84.8 -72.5 -27.8 16.1 60.2 95.1 102 93 X V S < S- 0 0 5 -3,-1.1 3,-0.1 1,-0.1 -89,-0.0 -0.584 92.6-112.6 -72.5 134.6 17.0 59.1 91.5 103 94 X D > - 0 0 36 -2,-0.3 4,-2.1 1,-0.2 5,-0.2 -0.577 29.1-153.5 -65.2 113.4 14.2 59.5 89.0 104 95 X P H > S+ 0 0 39 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.891 88.1 52.5 -65.4 -38.8 13.5 55.8 88.3 105 96 X L H > S+ 0 0 42 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.966 113.3 45.7 -58.9 -49.5 12.1 56.3 84.7 106 97 X W H > S+ 0 0 17 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.841 111.5 50.4 -66.4 -32.1 15.2 58.2 83.7 107 98 X Y H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.923 111.6 49.8 -65.4 -45.1 17.6 55.8 85.3 108 99 X I H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.904 110.0 49.7 -63.3 -42.4 15.8 52.9 83.5 109 100 X I H X S+ 0 0 0 -4,-2.3 4,-2.7 2,-0.2 -1,-0.2 0.930 111.3 50.0 -58.1 -48.3 16.0 54.8 80.1 110 101 X G H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.887 111.1 49.4 -52.2 -46.4 19.8 55.4 80.7 111 102 X F H X>S+ 0 0 3 -4,-2.4 4,-2.7 2,-0.2 5,-0.8 0.888 110.0 49.8 -66.3 -43.5 20.2 51.7 81.5 112 103 X I H X5S+ 0 0 0 -4,-2.6 4,-1.6 3,-0.2 -2,-0.2 0.938 112.9 47.8 -57.3 -46.9 18.3 50.7 78.3 113 104 X D H <5S+ 0 0 1 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.898 115.5 46.3 -62.4 -41.0 20.5 53.0 76.3 114 105 X G H <5S- 0 0 7 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.880 140.0 -11.8 -70.9 -41.9 23.7 51.7 78.0 115 106 X D H <5S+ 0 0 91 -4,-2.7 23,-0.4 -5,-0.1 -3,-0.2 0.427 103.0 101.9-147.9 5.7 23.1 48.0 77.8 116 107 X G << - 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