==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-DEC-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE/ANTIBIOTIC 13-DEC-11 3V3N . COMPND 2 MOLECULE: TETX2 PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BACTEROIDES THETAIOTAOMICRON; . AUTHOR K.WALKIEWICZ,Y.SHAMOO . 1470 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 67232.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1022 69.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 92 6.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 224 15.2 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 . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 15 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 . 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 . 134 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 134 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 387 26.3 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+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 8 0 0 10 2 4 0 9 3 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4 0 RESIDUES PER ALPHA HELIX . 0 4 4 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 . 5 3 3 7 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 3 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 14 A L 0 0 88 0, 0.0 2,-0.1 0, 0.0 331,-0.1 0.000 360.0 360.0 360.0 68.7 19.8 -22.2 -25.3 2 15 A S + 0 0 51 2,-0.1 26,-0.1 1,-0.1 4,-0.1 -0.584 360.0 147.0-162.3 91.6 18.3 -19.2 -27.2 3 16 A D S S+ 0 0 169 -2,-0.1 2,-0.2 2,-0.1 -1,-0.1 -0.264 82.4 76.3 -97.6 36.0 20.1 -16.4 -29.0 4 17 A K S S- 0 0 100 144,-0.0 24,-0.5 145,-0.0 2,-0.3 -0.471 82.8-111.6-126.4-166.2 16.9 -16.9 -31.0 5 18 A N E -a 28 0A 33 -2,-0.2 145,-1.3 22,-0.1 144,-1.0 -0.975 13.9-141.2-140.6 157.7 13.3 -15.9 -30.7 6 19 A V E -ab 29 150A 5 22,-3.5 24,-1.5 -2,-0.3 2,-0.5 -0.887 6.0-154.1-120.4 144.9 9.9 -17.7 -30.2 7 20 A A E -ab 30 151A 2 143,-2.8 145,-3.9 -2,-0.4 2,-0.6 -0.960 5.4-167.7-122.8 117.5 6.5 -17.0 -31.6 8 21 A I E -ab 31 152A 0 22,-2.6 24,-2.7 -2,-0.5 2,-0.7 -0.899 11.9-150.5-100.1 125.3 3.4 -18.0 -29.8 9 22 A I E +ab 32 153A 5 143,-2.5 145,-1.6 -2,-0.6 24,-0.2 -0.843 66.4 26.3 -96.4 119.3 0.3 -17.8 -31.9 10 23 A G - 0 0 8 22,-3.3 2,-0.6 -2,-0.7 23,-0.2 0.504 65.2-133.9 100.1 115.9 -2.8 -17.0 -29.9 11 24 A G + 0 0 0 4,-0.2 -1,-0.1 20,-0.1 22,-0.1 -0.405 55.8 136.3 -97.0 55.0 -3.1 -15.2 -26.6 12 25 A G S > S- 0 0 28 -2,-0.6 4,-2.0 142,-0.5 5,-0.2 -0.056 77.8 -84.1 -75.0-169.6 -5.4 -17.6 -24.9 13 26 A P H > S+ 0 0 34 0, 0.0 4,-2.0 0, 0.0 5,-0.2 0.954 132.1 46.6 -64.0 -45.7 -4.8 -18.7 -21.2 14 27 A V H > S+ 0 0 12 2,-0.2 4,-2.5 1,-0.2 5,-0.1 0.915 115.0 42.7 -60.4 -50.8 -2.4 -21.4 -22.5 15 28 A G H > S+ 0 0 0 139,-0.4 4,-2.5 2,-0.2 5,-0.2 0.949 115.2 48.9 -64.0 -50.9 -0.4 -19.2 -24.9 16 29 A L H X S+ 0 0 0 -4,-2.0 4,-1.4 2,-0.2 -1,-0.2 0.859 112.0 49.2 -56.5 -40.4 -0.1 -16.2 -22.6 17 30 A T H X S+ 0 0 0 -4,-2.0 4,-2.3 -5,-0.2 3,-0.5 0.942 108.8 54.6 -64.0 -46.0 1.0 -18.4 -19.8 18 31 A M H X S+ 0 0 0 -4,-2.5 4,-1.7 1,-0.3 5,-0.2 0.928 105.9 50.9 -52.2 -49.3 3.6 -19.9 -22.1 19 32 A A H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 -1,-0.3 0.830 109.3 52.6 -60.5 -30.7 5.0 -16.5 -23.0 20 33 A K H X S+ 0 0 33 -4,-1.4 4,-1.5 -3,-0.5 -2,-0.2 0.962 108.4 47.7 -69.3 -51.4 5.3 -15.7 -19.2 21 34 A L H X S+ 0 0 3 -4,-2.3 4,-0.5 1,-0.2 -1,-0.2 0.752 118.2 42.7 -61.9 -27.3 7.3 -18.9 -18.3 22 35 A L H ><>S+ 0 0 0 -4,-1.7 5,-1.7 -5,-0.3 3,-1.2 0.909 111.8 50.9 -82.4 -47.1 9.6 -18.3 -21.3 23 36 A Q H ><5S+ 0 0 26 -4,-2.4 3,-0.8 1,-0.3 -2,-0.2 0.701 104.4 61.9 -66.1 -17.8 10.0 -14.6 -20.8 24 37 A Q H 3<5S+ 0 0 84 -4,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.813 103.4 48.7 -71.7 -34.5 10.9 -15.4 -17.2 25 38 A N T <<5S- 0 0 77 -3,-1.2 -1,-0.2 -4,-0.5 -2,-0.2 0.022 125.9 -98.9 -96.7 24.7 13.9 -17.4 -18.3 26 39 A G T < 5S+ 0 0 70 -3,-0.8 -3,-0.2 1,-0.2 -2,-0.1 0.355 72.6 150.0 80.1 -4.8 15.2 -14.7 -20.6 27 40 A I < - 0 0 13 -5,-1.7 2,-0.8 -6,-0.1 -1,-0.2 -0.356 51.9-118.0 -66.0 138.9 13.7 -16.2 -23.8 28 41 A D E +a 5 0A 88 -24,-0.5 -22,-3.5 -26,-0.1 2,-0.4 -0.675 47.7 168.9 -79.2 106.8 12.7 -13.7 -26.6 29 42 A V E -a 6 0A 7 -2,-0.8 2,-0.3 -24,-0.2 -22,-0.2 -0.924 21.3-176.6-125.5 146.4 9.0 -14.2 -27.1 30 43 A S E -a 7 0A 29 -24,-1.5 -22,-2.6 -2,-0.4 2,-0.5 -0.982 16.6-144.3-130.8 148.8 6.2 -12.5 -28.9 31 44 A V E -ac 8 120A 0 88,-3.1 90,-3.3 -2,-0.3 2,-0.8 -0.954 5.0-160.0-115.8 121.8 2.5 -13.3 -28.9 32 45 A Y E -ac 9 121A 15 -24,-2.7 -22,-3.3 -2,-0.5 2,-0.5 -0.876 17.8-174.2-100.1 107.6 0.5 -12.9 -32.0 33 46 A E - 0 0 14 88,-2.0 91,-2.6 -2,-0.8 90,-0.3 -0.905 27.4-145.4-110.2 128.4 -3.2 -12.7 -31.0 34 47 A R S S+ 0 0 162 -2,-0.5 91,-0.1 89,-0.2 -1,-0.1 0.883 71.4 102.5 -49.8 -46.8 -6.1 -12.6 -33.4 35 48 A D S S- 0 0 44 88,-0.1 88,-3.0 1,-0.1 89,-0.3 -0.042 76.5-129.6 -49.6 143.1 -8.1 -10.3 -31.1 36 49 A N S S- 0 0 104 1,-0.2 2,-0.3 86,-0.2 -1,-0.1 0.820 80.7 -13.6 -68.0 -33.7 -8.3 -6.6 -32.0 37 50 A D S > S- 0 0 53 85,-0.1 3,-2.4 84,-0.1 -1,-0.2 -0.977 71.9 -95.1-165.4 158.8 -7.3 -5.4 -28.5 38 51 A R T 3 S+ 0 0 71 1,-0.3 74,-0.1 -2,-0.3 70,-0.0 0.720 116.6 62.9 -50.8 -28.2 -6.8 -6.5 -24.9 39 52 A E T 3 S+ 0 0 62 2,-0.1 -1,-0.3 -4,-0.0 2,-0.2 0.297 70.8 128.9 -86.3 13.0 -10.3 -5.3 -24.0 40 53 A A < - 0 0 24 -3,-2.4 2,-0.5 1,-0.1 -5,-0.0 -0.513 65.2-120.3 -62.8 131.9 -11.9 -7.8 -26.3 41 54 A R - 0 0 165 -2,-0.2 2,-0.6 1,-0.0 -1,-0.1 -0.664 20.0-141.0 -84.0 125.0 -14.6 -9.6 -24.3 42 55 A I - 0 0 56 -2,-0.5 63,-0.2 2,-0.0 62,-0.2 -0.741 14.4-139.8 -90.2 121.5 -14.1 -13.4 -24.1 43 56 A F + 0 0 88 -2,-0.6 2,-0.2 61,-0.1 -1,-0.0 -0.469 55.6 57.9 -76.9 148.0 -17.3 -15.4 -24.3 44 57 A G S S- 0 0 13 -2,-0.1 60,-0.3 59,-0.0 -2,-0.0 -0.512 77.7 -58.7 123.5 171.5 -17.7 -18.4 -22.1 45 58 A G - 0 0 18 -2,-0.2 59,-0.5 1,-0.2 2,-0.3 0.338 62.0 -71.1 -73.5-159.2 -17.8 -19.7 -18.5 46 59 A T E -E 103 0B 25 57,-0.1 2,-0.4 175,-0.1 57,-0.2 -0.719 39.1-133.8-100.9 151.1 -15.3 -19.6 -15.8 47 60 A L E -E 102 0B 15 55,-2.3 55,-3.0 -2,-0.3 2,-0.5 -0.833 10.0-153.3-102.4 141.0 -12.1 -21.6 -15.6 48 61 A D E -E 101 0B 23 -2,-0.4 2,-0.6 53,-0.2 263,-0.2 -0.978 7.1-151.6-111.9 126.4 -11.0 -23.5 -12.5 49 62 A L - 0 0 0 51,-0.6 2,-0.2 -2,-0.5 259,-0.1 -0.886 15.1-145.5 -95.8 121.0 -7.3 -24.2 -12.1 50 63 A H > > - 0 0 51 -2,-0.6 5,-2.9 257,-0.2 3,-0.6 -0.591 18.9-111.1 -82.5 146.1 -6.6 -27.3 -10.1 51 64 A K T 3 5S+ 0 0 95 47,-0.7 2,-0.2 -2,-0.2 3,-0.2 -0.455 107.3 38.6 -65.8 153.3 -3.7 -27.7 -7.7 52 65 A G T 3 5S+ 0 0 60 1,-0.3 -1,-0.2 -2,-0.1 -2,-0.0 -0.248 131.6 23.5 90.5 -44.6 -1.2 -30.2 -9.2 53 66 A S T X>5S+ 0 0 25 -3,-0.6 4,-1.3 -2,-0.2 3,-0.9 0.600 128.5 19.4-114.2 -93.2 -1.9 -28.9 -12.7 54 67 A G H >>5S+ 0 0 0 1,-0.3 4,-1.6 2,-0.2 3,-0.5 0.888 124.0 53.9 -52.9 -45.5 -3.1 -25.4 -13.6 55 68 A Q H 3> S+ 0 0 71 -3,-0.9 4,-3.1 -6,-0.5 -1,-0.3 0.900 103.9 51.0 -63.0 -38.0 1.4 -25.2 -10.7 57 70 A A H S+ 0 0 0 -4,-1.6 5,-3.7 2,-0.2 6,-0.7 0.894 112.4 50.9 -65.0 -42.4 0.4 -20.0 -12.0 59 72 A K H ><5S+ 0 0 126 -4,-2.7 3,-1.8 4,-0.2 -2,-0.2 0.962 109.1 49.8 -56.7 -54.7 2.7 -20.7 -9.1 60 73 A K H 3<5S+ 0 0 103 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.802 112.7 47.8 -59.3 -29.7 5.7 -21.0 -11.4 61 74 A A T 3<5S- 0 0 6 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.562 116.8-119.9 -81.8 -10.7 4.7 -17.7 -13.0 62 75 A G T < 5S+ 0 0 58 -3,-1.8 -3,-0.2 -4,-0.5 -2,-0.1 0.883 86.0 108.4 71.8 40.2 4.4 -16.3 -9.5 63 76 A L >< + 0 0 19 -5,-3.7 4,-3.2 -8,-0.2 -4,-0.2 0.290 35.1 104.0-128.2 4.6 0.7 -15.5 -10.1 64 77 A L H > S+ 0 0 29 -6,-0.7 4,-2.8 1,-0.2 5,-0.1 0.899 85.3 48.1 -61.4 -42.5 -1.1 -18.1 -7.9 65 78 A Q H > S+ 0 0 117 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.953 112.0 50.5 -60.4 -47.3 -1.9 -15.5 -5.2 66 79 A T H > S+ 0 0 38 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.919 110.0 50.4 -54.2 -47.5 -3.2 -13.2 -7.9 67 80 A Y H X S+ 0 0 0 -4,-3.2 4,-2.1 1,-0.2 -1,-0.2 0.949 110.9 48.7 -56.1 -50.5 -5.3 -16.0 -9.3 68 81 A Y H < S+ 0 0 44 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.881 108.3 55.4 -55.2 -41.6 -6.7 -16.7 -5.8 69 82 A D H < S+ 0 0 105 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.901 117.4 33.1 -60.2 -44.8 -7.4 -12.9 -5.3 70 83 A L H < S+ 0 0 25 -4,-2.0 33,-0.3 -3,-0.2 -1,-0.2 0.669 105.5 87.9 -88.6 -19.2 -9.6 -12.6 -8.4 71 84 A A < - 0 0 11 -4,-2.1 31,-0.2 -5,-0.2 30,-0.1 0.018 63.9-145.1 -75.3-174.8 -11.0 -16.1 -8.3 72 85 A L B -F 101 0B 71 29,-1.0 29,-2.4 2,-0.0 -3,-0.1 -0.860 10.3-130.1-159.5 114.1 -14.2 -17.2 -6.5 73 86 A P - 0 0 62 0, 0.0 2,-0.4 0, 0.0 18,-0.1 -0.398 30.1-161.5 -64.0 143.6 -15.0 -20.5 -4.7 74 87 A M - 0 0 27 25,-0.2 2,-0.2 16,-0.1 125,-0.1 -0.987 13.8-147.6-130.6 139.4 -18.4 -21.9 -5.8 75 88 A G - 0 0 3 -2,-0.4 125,-2.6 123,-0.4 2,-0.4 -0.474 22.9-136.2 -84.4 170.0 -20.7 -24.4 -4.3 76 89 A V E -Gh 89 200C 36 13,-1.8 13,-2.3 123,-0.2 2,-0.4 -0.988 11.8-161.1-136.0 130.5 -22.8 -26.6 -6.6 77 90 A N E -Gh 88 201C 3 123,-2.1 125,-1.9 -2,-0.4 2,-0.5 -0.832 9.7-148.4 -99.0 142.1 -26.4 -27.6 -6.4 78 91 A I E -Gh 87 202C 32 9,-1.9 8,-4.0 -2,-0.4 9,-1.1 -0.960 26.5-179.4-107.2 128.8 -27.9 -30.5 -8.3 79 92 A A E -Gh 85 203C 3 123,-0.6 125,-0.6 -2,-0.5 6,-0.2 -0.798 20.0-130.2-126.1 165.8 -31.5 -30.0 -9.4 80 93 A D > - 0 0 36 4,-1.5 3,-1.7 -2,-0.3 177,-0.1 -0.598 40.2 -94.0-109.1 176.3 -34.2 -31.8 -11.2 81 94 A K T 3 S+ 0 0 55 1,-0.3 176,-3.1 123,-0.2 179,-0.2 0.657 124.7 55.8 -66.3 -9.9 -36.5 -30.8 -14.0 82 95 A K T 3 S- 0 0 130 174,-0.2 -1,-0.3 2,-0.1 176,-0.1 0.578 119.6-103.6 -99.0 -11.5 -39.0 -29.7 -11.4 83 96 A G S < S+ 0 0 8 -3,-1.7 2,-0.3 1,-0.3 -2,-0.1 0.478 70.5 143.4 102.8 4.5 -36.8 -27.3 -9.4 84 97 A N - 0 0 88 1,-0.0 -4,-1.5 2,-0.0 2,-0.5 -0.613 50.9-130.0 -76.6 133.7 -36.0 -29.5 -6.4 85 98 A I E -G 79 0C 68 -2,-0.3 -6,-0.3 -6,-0.2 3,-0.1 -0.746 25.7-179.3 -74.9 126.6 -32.5 -29.2 -5.1 86 99 A L E + 0 0 105 -8,-4.0 2,-0.3 -2,-0.5 -7,-0.2 0.572 67.9 9.0-101.3 -13.0 -31.3 -32.8 -4.8 87 100 A S E -G 78 0C 41 -9,-1.1 -9,-1.9 2,-0.0 2,-0.5 -0.918 53.2-162.6-168.5 133.3 -27.9 -31.8 -3.4 88 101 A T E +G 77 0C 72 -2,-0.3 2,-0.9 -11,-0.2 -11,-0.2 -0.913 9.4 179.4-124.1 104.4 -26.1 -28.8 -2.0 89 102 A K E -G 76 0C 133 -13,-2.3 -13,-1.8 -2,-0.5 3,-0.0 -0.804 15.2-175.5-100.4 88.5 -22.3 -29.1 -1.8 90 103 A N - 0 0 105 -2,-0.9 2,-0.5 -15,-0.2 -16,-0.1 -0.167 34.9 -87.7 -68.9 175.9 -21.2 -25.7 -0.4 91 104 A V - 0 0 56 -18,-0.1 -1,-0.1 -16,-0.0 -16,-0.1 -0.778 33.9-149.4 -90.7 128.8 -17.5 -24.8 -0.1 92 105 A K >> - 0 0 156 -2,-0.5 3,-1.5 1,-0.1 4,-0.8 -0.786 35.0 -98.1 -88.6 137.6 -15.8 -25.8 3.1 93 106 A P T 34 S+ 0 0 100 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.260 113.2 28.4 -54.5 147.5 -12.9 -23.4 4.1 94 107 A E T >4 S+ 0 0 176 1,-0.1 3,-0.6 -3,-0.0 -3,-0.0 -0.141 113.1 67.5 79.6 -32.3 -9.5 -24.7 3.0 95 108 A N G X> S+ 0 0 100 -3,-1.5 3,-2.9 1,-0.2 4,-0.5 0.692 79.9 86.5 -72.3 -20.8 -11.3 -26.5 0.2 96 109 A R G 3< S+ 0 0 21 -4,-0.8 -1,-0.2 1,-0.3 -5,-0.0 0.645 87.8 47.3 -51.2 -19.6 -11.8 -22.8 -0.8 97 110 A F G <4 S+ 0 0 108 -3,-0.6 -1,-0.3 2,-0.1 -2,-0.1 0.356 88.4 87.6-107.2 2.9 -8.4 -23.0 -2.6 98 111 A D T <4 S- 0 0 56 -3,-2.9 -47,-0.7 1,-0.2 -2,-0.1 0.968 113.8 -16.1 -70.7 -53.7 -9.0 -26.3 -4.4 99 112 A N S < S- 0 0 79 -4,-0.5 -25,-0.2 -49,-0.1 -1,-0.2 -0.311 70.1-178.3-151.9 64.7 -10.7 -24.9 -7.6 100 113 A P - 0 0 4 0, 0.0 -51,-0.6 0, 0.0 2,-0.2 -0.451 35.3-113.3 -63.9 133.3 -12.0 -21.3 -7.3 101 114 A E E -EF 48 72B 11 -29,-2.4 -29,-1.0 -2,-0.2 2,-0.4 -0.493 33.3-165.2 -71.5 129.7 -13.7 -20.2 -10.5 102 115 A I E -E 47 0B 0 -55,-3.0 -55,-2.3 -2,-0.2 2,-0.2 -0.924 21.7-116.6-115.4 145.2 -12.0 -17.4 -12.4 103 116 A N E > -E 46 0B 17 -2,-0.4 4,-2.8 -33,-0.3 5,-0.2 -0.548 22.8-127.0 -78.2 144.9 -13.4 -15.2 -15.2 104 117 A R H > S+ 0 0 74 -59,-0.5 4,-1.5 -60,-0.3 -1,-0.1 0.841 109.6 46.0 -67.5 -35.6 -11.7 -15.6 -18.5 105 118 A N H > S+ 0 0 33 -63,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.938 111.3 52.5 -68.3 -48.9 -11.1 -11.9 -19.0 106 119 A D H > S+ 0 0 13 1,-0.2 4,-1.8 2,-0.2 3,-0.3 0.934 109.0 51.2 -48.0 -52.8 -9.9 -11.5 -15.4 107 120 A L H X S+ 0 0 4 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.875 109.1 49.8 -52.7 -44.8 -7.4 -14.4 -16.0 108 121 A R H X S+ 0 0 14 -4,-1.5 4,-3.4 1,-0.2 5,-0.3 0.844 107.0 55.0 -66.3 -34.0 -6.1 -12.7 -19.2 109 122 A A H X S+ 0 0 7 -4,-2.0 4,-1.9 -3,-0.3 -1,-0.2 0.873 108.8 49.4 -67.1 -35.5 -5.6 -9.5 -17.4 110 123 A I H X S+ 0 0 2 -4,-1.8 4,-1.2 -5,-0.2 -2,-0.2 0.927 115.2 42.5 -69.9 -44.2 -3.5 -11.4 -14.9 111 124 A L H >X S+ 0 0 0 -4,-2.4 4,-1.0 2,-0.2 3,-0.6 0.973 114.7 48.6 -65.7 -52.6 -1.4 -13.0 -17.6 112 125 A L H >< S+ 0 0 34 -4,-3.4 3,-1.3 1,-0.3 -2,-0.2 0.915 109.4 52.7 -53.2 -52.3 -1.0 -9.8 -19.7 113 126 A N H 3< S+ 0 0 93 -4,-1.9 -1,-0.3 -5,-0.3 -2,-0.2 0.833 104.6 57.5 -52.7 -35.7 0.0 -7.7 -16.8 114 127 A S H << S+ 0 0 19 -4,-1.2 -1,-0.3 -3,-0.6 -2,-0.2 0.774 95.6 81.2 -68.1 -25.5 2.7 -10.4 -15.9 115 128 A L S << S- 0 0 14 -3,-1.3 3,-0.1 -4,-1.0 -95,-0.1 -0.401 89.5-102.1 -80.7 156.6 4.4 -10.0 -19.4 116 129 A E > - 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