==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-JAN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE/ANTIBIOTIC 13-DEC-11 3V3O . COMPND 2 MOLECULE: TETX2 PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BACTEROIDES THETAIOTAOMICRON; . AUTHOR K.WALKIEWICZ,Y.SHAMOO . 1461 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 67145.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1004 68.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 93 6.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 229 15.7 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 . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 16 1.1 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 . 4 0.3 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 . 119 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 135 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 381 26.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 1.1 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 4 4 1 10 2 3 0 9 3 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 4 0 RESIDUES PER ALPHA HELIX . 0 3 5 8 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 PARALLEL BRIDGES PER LADDER . 4 0 5 8 7 5 3 0 4 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 8 0 4 0 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 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 13 A L 0 0 132 0, 0.0 327,-0.1 0, 0.0 329,-0.1 0.000 360.0 360.0 360.0 173.9 -20.4 30.2 -16.3 2 14 A L + 0 0 51 328,-0.1 2,-0.1 1,-0.1 328,-0.0 0.993 360.0 128.8 68.2 72.6 -18.3 30.1 -19.5 3 15 A S + 0 0 86 25,-0.1 2,-0.1 1,-0.1 -1,-0.1 -0.401 35.2 67.2-128.1-159.5 -18.3 26.5 -20.8 4 16 A D S S+ 0 0 167 -2,-0.1 2,-0.2 1,-0.1 -1,-0.1 0.329 90.4 87.1 65.1 -11.2 -19.1 24.7 -24.2 5 17 A K S S- 0 0 112 -2,-0.1 24,-0.8 144,-0.0 2,-0.3 -0.470 72.2-121.1-110.7 178.4 -16.0 26.4 -25.8 6 18 A N E -a 29 0A 44 -2,-0.2 145,-1.3 22,-0.1 144,-0.9 -0.919 12.3-141.1-127.8 159.3 -12.3 25.3 -25.9 7 19 A V E -ab 30 151A 8 22,-3.5 24,-0.6 -2,-0.3 2,-0.5 -0.808 3.4-151.6-115.3 152.9 -9.0 26.8 -24.8 8 20 A A E -ab 31 152A 1 143,-3.0 145,-2.9 -2,-0.3 2,-0.8 -0.898 7.6-170.2-130.5 106.5 -5.5 26.8 -26.4 9 21 A I E -ab 32 153A 0 22,-2.8 24,-2.5 -2,-0.5 2,-0.9 -0.843 9.7-156.8 -96.1 113.0 -2.4 27.0 -24.3 10 22 A I E +ab 33 154A 4 143,-2.0 145,-2.0 -2,-0.8 24,-0.2 -0.757 66.4 32.7 -88.6 101.3 0.7 27.6 -26.3 11 23 A G - 0 0 7 22,-2.1 2,-0.3 -2,-0.9 23,-0.2 0.235 61.3-141.6 119.5 118.7 3.6 26.2 -24.3 12 24 A G + 0 0 3 4,-0.2 -1,-0.1 20,-0.1 144,-0.1 -0.406 51.2 137.2-104.2 53.6 3.9 23.4 -21.8 13 25 A G S > S- 0 0 27 142,-0.4 4,-2.0 -2,-0.3 5,-0.3 -0.103 78.6 -84.2 -74.2-173.2 6.2 25.1 -19.3 14 26 A P H > S+ 0 0 30 0, 0.0 4,-2.0 0, 0.0 5,-0.2 0.987 133.6 47.1 -53.4 -52.0 5.7 24.7 -15.5 15 27 A V H > S+ 0 0 13 2,-0.2 4,-2.3 1,-0.2 5,-0.1 0.900 114.5 41.1 -58.6 -54.0 3.2 27.6 -15.9 16 28 A G H > S+ 0 0 0 139,-0.4 4,-2.3 2,-0.2 -1,-0.2 0.953 113.8 53.8 -61.8 -46.6 1.2 26.4 -18.9 17 29 A L H X S+ 0 0 1 -4,-2.0 4,-1.3 1,-0.3 -1,-0.2 0.871 110.0 48.0 -54.8 -41.4 1.1 22.8 -17.7 18 30 A T H X S+ 0 0 1 -4,-2.0 4,-2.1 -5,-0.3 3,-0.4 0.937 109.0 54.6 -61.9 -46.6 -0.3 24.0 -14.4 19 31 A M H X S+ 0 0 0 -4,-2.3 4,-1.3 1,-0.2 -2,-0.2 0.838 101.8 57.1 -60.6 -33.7 -2.8 26.1 -16.3 20 32 A A H X S+ 0 0 0 -4,-2.3 4,-2.7 1,-0.2 -1,-0.2 0.901 109.0 47.4 -63.0 -39.4 -4.1 23.1 -18.3 21 33 A K H X S+ 0 0 41 -4,-1.3 4,-2.0 -3,-0.4 -2,-0.2 0.921 107.2 52.6 -67.4 -49.4 -4.9 21.3 -15.0 22 34 A L H X S+ 0 0 4 -4,-2.1 4,-0.9 1,-0.2 -1,-0.2 0.790 117.7 40.3 -63.2 -25.4 -6.8 24.2 -13.2 23 35 A L H <>S+ 0 0 0 -4,-1.3 5,-2.2 -5,-0.2 3,-0.4 0.926 114.1 50.7 -82.7 -48.8 -9.0 24.5 -16.3 24 36 A Q H <5S+ 0 0 37 -4,-2.7 3,-0.4 1,-0.2 -2,-0.2 0.665 107.1 58.2 -65.1 -16.7 -9.3 20.8 -16.9 25 37 A Q H <5S+ 0 0 79 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.916 106.1 46.1 -71.6 -49.5 -10.3 20.4 -13.2 26 38 A N T <5S- 0 0 87 -4,-0.9 -1,-0.2 -3,-0.4 -2,-0.2 0.111 126.4-102.4 -84.6 19.3 -13.2 22.8 -13.6 27 39 A G T 5S+ 0 0 66 -3,-0.4 -3,-0.2 1,-0.2 2,-0.2 0.505 71.2 146.1 79.4 9.5 -14.3 21.0 -16.7 28 40 A I < - 0 0 23 -5,-2.2 2,-0.8 -6,-0.1 -1,-0.2 -0.519 53.9-114.3 -79.3 146.7 -13.0 23.4 -19.4 29 41 A D E +a 6 0A 98 -24,-0.8 -22,-3.5 -2,-0.2 2,-0.3 -0.721 47.0 170.8 -87.1 109.5 -11.7 21.9 -22.6 30 42 A V E -a 7 0A 6 -2,-0.8 2,-0.3 -24,-0.2 -22,-0.2 -0.810 21.4-171.7-117.6 158.2 -7.9 22.6 -22.9 31 43 A S E -a 8 0A 27 -24,-0.6 -22,-2.8 -2,-0.3 2,-0.6 -0.984 15.2-146.4-141.5 142.3 -5.0 21.6 -25.1 32 44 A V E -ac 9 121A 0 88,-2.6 90,-1.9 -2,-0.3 2,-0.8 -0.949 8.4-159.5-112.9 114.4 -1.4 22.4 -24.6 33 45 A Y E -ac 10 122A 13 -24,-2.5 -22,-2.1 -2,-0.6 2,-0.4 -0.818 19.3-178.2 -95.8 108.0 0.5 22.9 -27.8 34 46 A E E - c 0 123A 15 88,-1.9 91,-2.9 -2,-0.8 90,-0.6 -0.911 27.9-149.3-115.0 140.0 4.2 22.3 -26.9 35 47 A R + 0 0 156 -2,-0.4 91,-0.2 89,-0.3 -1,-0.1 0.626 63.1 110.6 -85.0 -17.2 7.1 22.6 -29.2 36 48 A D S S- 0 0 43 89,-0.2 88,-2.0 1,-0.1 89,-0.3 -0.250 75.4-123.6 -57.9 150.1 9.3 20.0 -27.5 37 49 A N S S- 0 0 119 1,-0.2 2,-0.3 86,-0.2 -1,-0.1 0.793 81.3 -19.7 -70.5 -29.8 9.8 16.9 -29.5 38 50 A D S > S- 0 0 64 1,-0.0 3,-1.5 85,-0.0 -1,-0.2 -0.946 72.4 -92.5-171.9 161.7 8.5 14.5 -26.8 39 51 A R T 3 S+ 0 0 141 1,-0.3 74,-0.1 -2,-0.3 70,-0.0 0.804 118.0 61.4 -56.3 -35.9 7.8 14.4 -23.0 40 52 A E T 3 S+ 0 0 172 2,-0.1 -1,-0.3 -3,-0.0 2,-0.3 0.226 72.4 132.8 -79.9 13.3 11.2 12.9 -22.2 41 53 A A < - 0 0 13 -3,-1.5 2,-0.2 1,-0.1 -5,-0.0 -0.533 65.7-111.3 -66.6 129.6 13.0 15.9 -23.7 42 54 A R - 0 0 242 -2,-0.3 2,-0.7 1,-0.1 -1,-0.1 -0.419 26.1-143.5 -65.3 129.5 15.8 17.1 -21.2 43 55 A I - 0 0 47 -2,-0.2 63,-0.2 2,-0.1 62,-0.2 -0.855 10.5-151.1 -98.3 115.1 15.0 20.5 -19.7 44 56 A F + 0 0 86 -2,-0.7 2,-0.1 61,-0.1 138,-0.0 -0.286 55.9 74.4 -72.3 163.9 18.0 22.6 -19.1 45 57 A G S S- 0 0 14 -2,-0.0 60,-0.2 2,-0.0 -2,-0.1 -0.337 76.9 -95.0 109.9 165.2 17.9 25.1 -16.2 46 58 A G - 0 0 14 1,-0.2 59,-1.0 -2,-0.1 2,-0.4 0.615 59.2 -43.6 -90.3-126.7 18.2 24.4 -12.5 47 59 A T E -E 104 0B 25 57,-0.2 2,-0.2 58,-0.1 57,-0.2 -0.939 43.0-134.6-122.2 136.8 15.6 23.9 -9.8 48 60 A L E -E 103 0B 15 55,-2.1 55,-2.6 -2,-0.4 2,-0.5 -0.578 10.7-152.2 -84.3 144.3 12.4 25.7 -9.1 49 61 A D E -E 102 0B 22 -2,-0.2 2,-0.6 53,-0.2 262,-0.2 -0.988 6.9-155.7-113.7 118.7 11.4 26.8 -5.6 50 62 A L - 0 0 0 51,-0.6 2,-0.4 -2,-0.5 3,-0.0 -0.841 16.6-140.5 -93.2 123.3 7.7 27.0 -5.0 51 63 A H > > - 0 0 60 -2,-0.6 5,-2.2 256,-0.1 3,-1.4 -0.721 17.6-113.4 -85.7 136.3 7.0 29.4 -2.2 52 64 A K T 3 5S+ 0 0 124 47,-1.2 3,-0.1 -2,-0.4 -1,-0.0 -0.526 109.9 34.1 -56.9 130.8 4.3 28.8 0.4 53 65 A G T 3 5S+ 0 0 55 1,-0.2 -1,-0.2 -2,-0.2 -3,-0.0 -0.190 130.7 22.9 106.7 -37.6 1.9 31.6 -0.4 54 66 A S T X>5S+ 0 0 30 -3,-1.4 4,-1.2 3,-0.1 3,-0.6 0.601 127.1 24.1-121.5 -84.2 2.4 31.7 -4.2 55 67 A G H >>5S+ 0 0 0 1,-0.2 4,-1.4 2,-0.2 3,-0.8 0.930 123.2 54.2 -51.7 -49.3 3.7 28.8 -6.2 56 68 A Q H 3> S+ 0 0 65 -3,-0.6 4,-2.9 -6,-0.4 -1,-0.3 0.904 104.3 49.8 -60.9 -39.4 -1.0 27.6 -3.6 58 70 A A H << S+ 0 0 0 -4,-1.2 4,-0.5 -3,-0.8 -1,-0.2 0.872 110.4 47.7 -68.4 -40.8 -1.2 26.6 -7.3 59 71 A M H <>S+ 0 0 0 -4,-1.4 5,-4.2 1,-0.2 6,-1.1 0.825 113.9 49.4 -70.1 -33.3 0.1 23.1 -6.6 60 72 A K H ><5S+ 0 0 97 -4,-2.4 3,-2.0 4,-0.3 -2,-0.2 0.943 105.6 56.0 -61.8 -51.7 -2.4 22.8 -3.7 61 73 A K T 3<5S+ 0 0 91 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.547 113.2 42.5 -63.7 -11.3 -5.3 24.0 -5.9 62 74 A A T 3 5S- 0 0 11 -4,-0.5 -1,-0.3 -3,-0.3 -2,-0.2 0.390 117.8-111.9-110.9 -6.4 -4.6 21.1 -8.2 63 75 A G T < 5S+ 0 0 61 -3,-2.0 -3,-0.2 -4,-0.2 4,-0.2 0.817 89.1 107.1 79.5 34.1 -3.9 18.6 -5.5 64 76 A L >< + 0 0 15 -5,-4.2 4,-3.2 -8,-0.1 -4,-0.3 0.470 38.1 99.9-121.1 -1.3 -0.2 18.2 -6.2 65 77 A L H > S+ 0 0 19 -6,-1.1 4,-3.4 1,-0.3 5,-0.2 0.871 88.6 46.6 -60.5 -38.4 1.4 20.0 -3.3 66 78 A Q H > S+ 0 0 117 2,-0.2 4,-2.9 1,-0.2 -1,-0.3 0.935 112.1 51.4 -67.2 -40.2 2.1 16.7 -1.5 67 79 A T H > S+ 0 0 54 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.909 112.3 47.6 -60.7 -37.8 3.4 15.3 -4.8 68 80 A Y H X S+ 0 0 0 -4,-3.2 4,-2.6 2,-0.2 -2,-0.2 0.943 111.3 48.6 -68.4 -44.3 5.6 18.5 -4.9 69 81 A Y H < S+ 0 0 34 -4,-3.4 -2,-0.2 -5,-0.2 -1,-0.2 0.883 110.0 56.1 -62.2 -33.8 6.8 18.1 -1.3 70 82 A D H < S+ 0 0 103 -4,-2.9 -2,-0.2 -5,-0.2 -1,-0.2 0.952 117.2 29.6 -60.8 -50.4 7.5 14.4 -2.2 71 83 A L H < S+ 0 0 78 -4,-2.0 33,-0.2 -5,-0.1 -2,-0.2 0.799 102.7 89.6 -87.9 -24.8 9.9 15.1 -5.2 72 84 A A < - 0 0 8 -4,-2.6 31,-0.2 -5,-0.2 30,-0.1 -0.338 64.1-149.6 -73.2 151.6 11.3 18.4 -4.0 73 85 A L B -F 102 0B 81 29,-2.3 29,-1.0 143,-0.1 143,-0.1 -0.889 14.1-132.2-127.0 103.1 14.5 18.4 -1.9 74 86 A P - 0 0 31 0, 0.0 2,-0.3 0, 0.0 18,-0.1 -0.180 27.5-157.5 -59.0 142.7 14.9 21.2 0.6 75 87 A M - 0 0 25 25,-0.3 2,-0.2 16,-0.1 125,-0.1 -0.930 14.2-141.9-127.9 144.4 18.3 22.8 0.6 76 88 A G - 0 0 1 123,-0.4 125,-2.6 -2,-0.3 2,-0.4 -0.566 26.0-132.0 -91.7 167.9 20.5 24.9 2.9 77 89 A V E -Gh 90 201C 43 13,-1.7 13,-2.0 123,-0.2 2,-0.2 -0.972 14.8-164.4-134.9 120.6 22.6 27.7 1.5 78 90 A N E -Gh 89 202C 8 123,-2.8 125,-1.3 -2,-0.4 2,-0.4 -0.581 10.0-149.1 -87.0 163.4 26.3 28.6 2.0 79 91 A I E -Gh 88 203C 16 9,-1.6 8,-2.5 -2,-0.2 9,-0.9 -0.970 23.2-178.4-134.0 121.1 27.9 31.9 1.1 80 92 A A E -Gh 86 204C 3 123,-1.2 125,-0.6 -2,-0.4 2,-0.3 -0.566 18.7-132.3-118.8 175.2 31.5 31.8 0.1 81 93 A D > - 0 0 1 4,-0.7 3,-3.0 -2,-0.2 176,-0.2 -0.814 41.2 -91.7-124.2 168.4 34.3 34.2 -0.9 82 94 A K T 3 S+ 0 0 11 1,-0.3 175,-3.0 -2,-0.3 178,-0.2 0.600 127.7 53.2 -56.0 -14.1 36.7 34.1 -3.9 83 95 A K T 3 S- 0 0 83 173,-0.2 -1,-0.3 2,-0.1 175,-0.1 0.497 120.1-107.1-100.2 -10.4 39.2 32.3 -1.6 84 96 A G < + 0 0 7 -3,-3.0 2,-0.3 1,-0.3 -2,-0.1 0.505 65.6 148.6 101.0 9.5 36.7 29.5 -0.6 85 97 A N - 0 0 48 -4,-0.1 -4,-0.7 1,-0.0 2,-0.5 -0.578 48.0-128.4 -78.8 130.2 35.9 30.6 2.9 86 98 A I E +G 80 0C 57 -2,-0.3 -6,-0.2 -6,-0.2 3,-0.1 -0.707 30.0 174.1 -76.6 125.9 32.5 29.8 4.3 87 99 A L E + 0 0 9 -8,-2.5 2,-0.3 -2,-0.5 -1,-0.2 0.587 66.2 0.0-102.8 -28.5 31.1 33.0 5.7 88 100 A S E -G 79 0C 29 -9,-0.9 -9,-1.6 625,-0.0 -1,-0.4 -0.983 52.7-167.9-157.0 156.6 27.7 31.7 6.4 89 101 A T E -G 78 0C 62 -2,-0.3 2,-0.9 -11,-0.2 -11,-0.2 -0.758 1.4-172.9-153.5 106.6 25.5 28.6 6.2 90 102 A K E -G 77 0C 121 -13,-2.0 -13,-1.7 -2,-0.2 3,-0.1 -0.812 20.1-167.4 -95.5 96.8 21.7 28.5 6.8 91 103 A N - 0 0 79 -2,-0.9 2,-0.2 -15,-0.3 -16,-0.1 -0.296 35.0 -82.3 -75.8 166.4 20.9 24.8 6.8 92 104 A V - 0 0 51 -18,-0.1 -1,-0.1 5,-0.1 5,-0.1 -0.501 40.4-146.0 -74.9 131.0 17.3 23.6 6.5 93 105 A K - 0 0 110 -2,-0.2 4,-0.4 -3,-0.1 3,-0.3 -0.862 23.7-114.7 -99.8 137.9 15.4 23.6 9.8 94 106 A P S S+ 0 0 89 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 0.622 110.6 43.1 -47.3 -26.7 12.7 20.8 10.2 95 107 A E S > S+ 0 0 131 1,-0.2 3,-0.7 2,-0.1 -3,-0.0 0.926 118.6 40.3 -87.8 -49.0 9.7 23.0 10.3 96 108 A N G > S+ 0 0 61 -3,-0.3 3,-1.2 1,-0.2 4,-0.4 0.119 82.5 101.6 -88.1 20.1 10.5 25.4 7.5 97 109 A R G 3 S+ 0 0 113 -4,-0.4 -1,-0.2 1,-0.2 -2,-0.1 0.553 80.6 58.6 -73.2 -8.7 11.9 22.6 5.3 98 110 A F G < S+ 0 0 87 -3,-0.7 -1,-0.2 1,-0.1 -2,-0.1 0.096 82.7 88.7-104.0 19.6 8.5 23.0 3.5 99 111 A D S < S- 0 0 76 -3,-1.2 -47,-1.2 1,-0.1 -2,-0.1 0.952 113.6 -17.7 -81.8 -59.7 9.1 26.6 2.7 100 112 A N S S- 0 0 59 -4,-0.4 -25,-0.3 -49,-0.2 2,-0.3 -0.408 70.5-178.5-150.1 71.5 10.8 26.3 -0.6 101 113 A P - 0 0 1 0, 0.0 -51,-0.6 0, 0.0 2,-0.4 -0.591 36.9-110.9 -69.8 131.5 12.3 22.8 -1.3 102 114 A E E -EF 49 73B 13 -29,-1.0 -29,-2.3 -2,-0.3 2,-0.5 -0.464 33.8-166.3 -72.2 119.5 14.1 22.7 -4.7 103 115 A I E -E 48 0B 1 -55,-2.6 -55,-2.1 -2,-0.4 -31,-0.1 -0.901 23.4-115.7-111.1 139.5 12.4 20.6 -7.4 104 116 A N E > -E 47 0B 24 -2,-0.5 4,-2.7 -33,-0.2 5,-0.2 -0.346 24.0-123.7 -71.0 142.9 14.0 19.5 -10.6 105 117 A R H > S+ 0 0 75 -59,-1.0 4,-1.2 1,-0.2 -1,-0.1 0.818 111.4 45.6 -65.2 -32.6 12.4 21.0 -13.7 106 118 A N H > S+ 0 0 47 -63,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.881 110.7 53.4 -73.0 -40.6 11.8 17.6 -15.3 107 119 A D H > S+ 0 0 37 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.932 108.2 51.7 -55.7 -49.1 10.4 16.2 -12.0 108 120 A L H X S+ 0 0 0 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.851 110.3 48.4 -55.6 -40.4 8.0 19.1 -11.9 109 121 A R H X S+ 0 0 13 -4,-1.2 4,-2.8 2,-0.2 -1,-0.2 0.847 107.2 54.2 -72.8 -37.9 6.8 18.4 -15.4 110 122 A A H X S+ 0 0 54 -4,-2.2 4,-1.7 2,-0.2 -1,-0.2 0.876 110.4 48.6 -60.3 -39.4 6.3 14.7 -14.8 111 123 A I H X S+ 0 0 8 -4,-1.9 4,-1.5 2,-0.2 -2,-0.2 0.910 115.1 43.5 -65.1 -45.5 4.1 15.7 -11.8 112 124 A L H X S+ 0 0 1 -4,-2.0 4,-1.5 1,-0.2 -2,-0.2 0.878 111.9 54.4 -69.0 -35.1 2.1 18.2 -13.9 113 125 A L H < S+ 0 0 22 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.815 106.6 50.7 -71.4 -32.6 1.9 15.7 -16.8 114 126 A N H < S+ 0 0 148 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.859 105.9 56.5 -68.6 -37.7 0.4 13.0 -14.7 115 127 A S H < S+ 0 0 19 -4,-1.5 -2,-0.2 -5,-0.1 -1,-0.2 0.911 94.3 82.5 -63.5 -37.8 -2.2 15.3 -13.4 116 128 A L S < S- 0 0 9 -4,-1.5 3,-0.1 1,-0.1 4,-0.1 -0.291 90.6-102.7 -69.5 148.2 -3.5 16.2 -16.9 117 129 A E > - 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