==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 06-JAN-09 2W7W . COMPND 2 MOLECULE: SUPEROXIDE DISMUTASE [FE]; . SOURCE 2 ORGANISM_SCIENTIFIC: ALIIVIBRIO SALMONICIDA; . AUTHOR H.L.PEDERSEN,N.P.WILLASSEN,I.LEIROS . 386 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16130.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 274 71.0 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 . 36 9.3 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 . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 14 3.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 55 14.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 153 39.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 2.8 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 2 0 0 4 1 2 0 3 2 2 0 0 0 0 1 1 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 . 2 0 0 0 0 2 2 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 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 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 2 A S 0 0 135 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -34.9 -3.2 25.7 40.9 2 3 A F - 0 0 50 33,-0.2 2,-0.3 49,-0.0 37,-0.1 -0.835 360.0-146.6 -85.8 141.3 -2.1 27.0 37.5 3 4 A E - 0 0 143 -2,-0.4 0, 0.0 3,-0.0 0, 0.0 -0.740 17.8-119.8-105.2 153.2 -2.5 30.8 37.1 4 5 A L - 0 0 43 -2,-0.3 2,-0.1 24,-0.0 28,-0.1 -0.861 42.8-135.9 -78.8 107.8 -3.4 33.0 34.2 5 6 A P - 0 0 35 0, 0.0 -3,-0.0 0, 0.0 0, 0.0 -0.433 19.0-107.1 -68.5 143.6 -0.3 35.1 34.2 6 7 A A - 0 0 88 1,-0.1 -3,-0.0 -2,-0.1 0, 0.0 -0.298 42.7 -96.4 -61.5 152.1 -0.8 38.9 33.7 7 8 A L - 0 0 25 2,-0.1 -1,-0.1 1,-0.1 4,-0.1 -0.301 26.3-122.6 -65.8 155.3 0.2 40.3 30.3 8 9 A P S S+ 0 0 74 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.264 93.0 37.9 -86.0 18.3 3.7 41.9 30.1 9 10 A F S S- 0 0 23 72,-0.1 -2,-0.1 5,-0.0 5,-0.1 -0.976 96.8 -83.5-154.4 159.4 2.2 45.2 29.0 10 11 A A > - 0 0 60 -2,-0.3 3,-1.8 1,-0.1 4,-0.3 -0.193 46.1-105.8 -59.2 155.6 -0.9 47.4 29.7 11 12 A K T 3 S+ 0 0 82 1,-0.3 12,-0.2 2,-0.1 3,-0.2 0.712 121.4 39.4 -60.8 -23.1 -4.2 46.6 27.9 12 13 A D T > S+ 0 0 102 1,-0.1 3,-1.0 2,-0.1 -1,-0.3 0.251 88.1 100.9-106.0 14.7 -3.8 49.6 25.5 13 14 A A T < S+ 0 0 25 -3,-1.8 70,-0.2 1,-0.2 -2,-0.1 0.685 78.1 51.6 -76.3 -19.8 -0.1 49.2 25.1 14 15 A L T >> S+ 0 0 0 -4,-0.3 3,-1.8 4,-0.2 4,-1.3 0.427 91.7 158.4 -98.0 0.7 -0.2 47.5 21.7 15 16 A E T <4 + 0 0 97 -3,-1.0 4,-0.1 1,-0.3 -3,-0.0 -0.302 53.8 21.7 -67.1 150.7 -2.5 50.1 20.1 16 17 A P T 34 S+ 0 0 120 0, 0.0 -1,-0.3 0, 0.0 3,-0.2 -0.915 128.1 50.9 -90.2 21.6 -3.2 51.0 17.4 17 18 A H T <4 S+ 0 0 64 -3,-1.8 2,-0.4 1,-0.3 -2,-0.2 0.908 123.1 14.9 -83.0 -49.9 -1.9 47.6 16.2 18 19 A I S < S- 0 0 1 -4,-1.3 -1,-0.3 159,-0.1 -4,-0.2 -1.000 89.9-124.7-125.8 129.1 -3.8 45.2 18.4 19 20 A S > - 0 0 20 -2,-0.4 4,-1.7 -3,-0.2 3,-0.2 -0.299 14.2-120.3 -76.3 157.6 -6.8 46.6 20.3 20 21 A A H > S+ 0 0 27 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.858 116.7 59.2 -55.7 -38.8 -7.5 46.6 24.1 21 22 A E H > S+ 0 0 76 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.888 101.3 51.5 -60.9 -40.6 -10.7 44.7 23.1 22 23 A T H > S+ 0 0 2 -3,-0.2 4,-3.9 1,-0.2 5,-0.3 0.922 111.0 49.2 -60.9 -44.7 -8.7 41.9 21.4 23 24 A L H X>S+ 0 0 0 -4,-1.7 4,-1.8 -12,-0.2 5,-1.6 0.889 106.1 56.9 -61.4 -37.1 -6.6 41.6 24.6 24 25 A D H <5S+ 0 0 80 -4,-2.2 -1,-0.2 3,-0.2 -2,-0.2 0.908 119.5 30.5 -62.6 -43.1 -9.7 41.5 26.7 25 26 A Y H X>S+ 0 0 65 -4,-1.9 5,-2.4 3,-0.2 4,-1.5 0.905 122.8 45.8 -79.8 -48.3 -11.0 38.5 24.8 26 27 A H H <>S+ 0 0 0 -4,-3.9 5,-2.2 -5,-0.2 -3,-0.2 0.939 129.7 21.6 -71.1 -47.0 -7.9 36.8 23.8 27 28 A H T <>S+ 0 0 17 -4,-1.8 5,-1.3 -5,-0.3 -3,-0.2 0.946 129.8 44.2 -80.4 -53.8 -6.1 36.9 27.2 28 29 A G T 4X S+ 0 0 0 -4,-2.3 4,-1.8 1,-0.2 3,-1.6 0.937 108.0 55.1 -60.6 -50.5 -6.6 22.2 32.7 39 40 A N H 3< S+ 0 0 40 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.835 111.5 47.6 -51.9 -33.9 -7.0 22.9 36.5 40 41 A G H 3< S+ 0 0 63 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.565 110.3 51.0 -83.2 -13.3 -10.2 20.8 36.2 41 42 A L H << S+ 0 0 74 -3,-1.6 -2,-0.2 -4,-0.6 -1,-0.2 0.782 102.6 57.7 -91.1 -31.1 -8.7 17.9 34.3 42 43 A I >< + 0 0 8 -4,-1.8 3,-1.6 5,-0.1 6,-0.4 0.690 69.5 107.9 -84.5 -23.9 -5.6 17.1 36.4 43 44 A P T 3 S+ 0 0 81 0, 0.0 3,-0.1 0, 0.0 -4,-0.0 -0.400 94.1 10.6 -58.9 126.7 -7.0 16.3 39.9 44 45 A G T 3 S+ 0 0 70 1,-0.3 2,-0.3 -2,-0.1 -2,-0.1 0.741 110.6 103.8 76.5 25.6 -6.6 12.6 40.6 45 46 A T S X S- 0 0 50 -3,-1.6 3,-1.5 0, 0.0 -1,-0.3 -0.807 90.5 -98.2-124.9 171.1 -4.5 12.0 37.5 46 47 A E T 3 S+ 0 0 126 -2,-0.3 -4,-0.1 1,-0.2 -2,-0.0 0.530 117.8 67.5 -62.7 -10.6 -0.8 11.4 37.0 47 48 A F T > + 0 0 19 -5,-0.3 3,-1.8 -6,-0.1 2,-0.3 0.476 68.5 115.1 -95.8 -5.4 -0.4 15.1 36.1 48 49 A E T < S+ 0 0 117 -3,-1.5 3,-0.1 -6,-0.4 0, 0.0 -0.501 87.3 13.6 -59.2 124.7 -1.2 16.3 39.6 49 50 A G T 3 S+ 0 0 83 1,-0.3 2,-0.3 -2,-0.3 -1,-0.3 0.560 99.5 123.8 80.0 9.2 1.9 18.0 40.9 50 51 A K < - 0 0 90 -3,-1.8 -1,-0.3 1,-0.1 2,-0.1 -0.699 64.4-111.3 -93.0 154.6 3.6 18.2 37.5 51 52 A T > - 0 0 73 -2,-0.3 4,-2.2 -3,-0.1 5,-0.2 -0.309 32.4-105.7 -72.3 165.8 4.8 21.5 36.0 52 53 A L H > S+ 0 0 30 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.960 122.1 47.3 -59.4 -50.3 3.1 22.9 32.9 53 54 A E H > S+ 0 0 72 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.839 109.3 53.5 -60.3 -38.1 5.9 21.9 30.6 54 55 A E H > S+ 0 0 96 2,-0.2 4,-0.8 1,-0.2 -1,-0.2 0.901 110.0 48.7 -63.8 -41.9 6.1 18.4 32.1 55 56 A I H >X S+ 0 0 0 -4,-2.2 3,-1.4 2,-0.2 4,-1.1 0.959 109.1 51.7 -60.0 -50.7 2.4 17.9 31.4 56 57 A I H >< S+ 0 0 2 -4,-2.5 3,-0.5 1,-0.3 -2,-0.2 0.908 111.7 48.2 -54.4 -41.1 2.7 19.2 27.8 57 58 A K H 3< S+ 0 0 115 -4,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.591 120.0 34.8 -78.8 -11.6 5.5 16.7 27.2 58 59 A T H << S+ 0 0 80 -3,-1.4 2,-0.2 -4,-0.8 -1,-0.2 0.299 103.2 79.3-126.4 9.2 3.7 13.6 28.7 59 60 A S << - 0 0 21 -4,-1.1 2,-0.2 -3,-0.5 3,-0.0 -0.695 45.8-172.9-117.7 168.5 0.0 14.1 27.8 60 61 A T >> + 0 0 120 -2,-0.2 4,-1.5 4,-0.0 3,-0.6 -0.749 55.0 22.0-138.4-178.1 -2.3 13.6 24.9 61 62 A G H 3> S- 0 0 41 -2,-0.2 4,-2.2 1,-0.2 3,-0.3 -0.068 121.9 -12.3 57.6-149.8 -6.0 14.5 24.3 62 63 A G H 3> S+ 0 0 39 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.771 135.2 54.7 -57.3 -38.4 -7.8 17.3 26.3 63 64 A V H <> S+ 0 0 22 -3,-0.6 4,-2.3 2,-0.2 5,-0.3 0.931 111.8 45.5 -60.2 -46.5 -5.0 17.6 28.9 64 65 A F H X S+ 0 0 38 -4,-1.5 4,-3.3 -3,-0.3 5,-0.3 0.932 111.5 52.5 -63.7 -46.0 -2.5 18.2 26.1 65 66 A N H X S+ 0 0 41 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.906 115.2 38.8 -58.5 -51.3 -4.7 20.6 24.3 66 67 A N H X S+ 0 0 14 -4,-2.1 4,-1.8 2,-0.2 -1,-0.2 0.939 118.9 46.8 -65.5 -48.1 -5.4 22.9 27.3 67 68 A A H X S+ 0 0 0 -4,-2.3 4,-1.8 -5,-0.2 -2,-0.2 0.909 113.8 47.9 -63.9 -43.0 -1.9 22.7 28.8 68 69 A A H X S+ 0 0 0 -4,-3.3 4,-2.7 -5,-0.3 -1,-0.2 0.908 110.3 51.7 -67.1 -40.7 -0.1 23.3 25.4 69 70 A Q H X S+ 0 0 0 -4,-1.8 4,-2.2 -5,-0.3 -1,-0.2 0.819 105.6 55.5 -67.5 -30.3 -2.4 26.3 24.6 70 71 A I H X S+ 0 0 4 -4,-1.8 4,-1.9 2,-0.2 -1,-0.2 0.959 113.6 40.9 -61.9 -49.6 -1.6 27.9 28.0 71 72 A W H X S+ 0 0 33 -4,-1.8 4,-2.2 2,-0.2 5,-0.2 0.906 113.0 54.3 -63.0 -44.3 2.1 27.7 27.2 72 73 A N H X S+ 0 0 0 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.918 110.8 46.1 -59.3 -44.4 1.6 28.8 23.6 73 74 A H H X S+ 0 0 0 -4,-2.2 4,-2.8 2,-0.2 -1,-0.2 0.883 110.3 49.7 -67.4 -43.3 -0.3 31.9 24.6 74 75 A T H X S+ 0 0 40 -4,-1.9 4,-1.7 2,-0.2 -1,-0.2 0.908 113.3 49.1 -62.5 -40.2 2.1 33.1 27.4 75 76 A F H X S+ 0 0 12 -4,-2.2 4,-0.6 -5,-0.2 -2,-0.2 0.934 110.4 51.4 -62.8 -47.7 5.0 32.7 25.0 76 77 A Y H >< S+ 0 0 2 -4,-2.3 3,-1.8 -5,-0.2 4,-0.4 0.932 106.9 52.0 -51.8 -54.0 3.0 34.7 22.3 77 78 A W H >< S+ 0 0 6 -4,-2.8 3,-1.5 1,-0.3 -1,-0.2 0.874 106.9 54.0 -54.1 -39.8 2.3 37.6 24.7 78 79 A N H 3< S+ 0 0 51 -4,-1.7 -1,-0.3 1,-0.3 108,-0.2 0.620 100.3 62.2 -69.9 -16.6 6.0 37.8 25.5 79 80 A C T << S+ 0 0 0 -3,-1.8 104,-2.5 -4,-0.6 2,-0.3 0.520 97.8 70.7 -83.4 -9.3 6.6 38.1 21.7 80 81 A L B < +A 182 0A 1 -3,-1.5 102,-0.2 -4,-0.4 98,-0.1 -0.888 59.9 161.1-110.3 147.1 4.7 41.3 21.6 81 82 A A > - 0 0 12 100,-1.7 3,-0.6 -2,-0.3 2,-0.1 -0.993 38.1-113.2-161.3 145.9 5.7 44.7 23.0 82 83 A P T 3 S+ 0 0 51 0, 0.0 -68,-0.1 0, 0.0 3,-0.1 -0.465 104.5 21.1 -72.1 157.2 5.0 48.5 22.9 83 84 A N T 3 S+ 0 0 180 -70,-0.2 2,-0.1 1,-0.1 98,-0.1 0.889 111.4 93.3 49.9 44.3 7.9 50.5 21.5 84 85 A A < + 0 0 42 -3,-0.6 98,-0.2 96,-0.5 99,-0.2 -0.273 39.2 85.4-133.9-140.5 9.3 47.4 19.8 85 86 A G + 0 0 11 97,-3.1 95,-0.2 96,-0.3 99,-0.2 -0.250 53.8 88.5 71.7-158.7 8.9 45.9 16.3 86 87 A G S S- 0 0 48 93,-0.8 -1,-0.1 2,-0.0 96,-0.1 -0.228 90.6 -13.9 59.9-149.9 11.1 47.0 13.3 87 88 A Q - 0 0 136 -3,-0.1 6,-0.1 1,-0.1 97,-0.1 -0.600 67.2-119.2 -92.3 142.3 14.4 45.3 12.6 88 89 A P - 0 0 11 0, 0.0 2,-0.2 0, 0.0 15,-0.1 -0.381 28.7-167.1 -68.3 152.1 16.3 43.0 15.1 89 90 A T >> + 0 0 111 -2,-0.1 4,-1.1 4,-0.0 3,-0.8 -0.719 46.4 22.9-121.2-179.3 19.7 44.0 16.2 90 91 A G H 3> S- 0 0 50 -2,-0.2 4,-1.6 1,-0.2 5,-0.2 -0.243 120.4 -12.3 70.8-145.0 22.4 42.1 18.1 91 92 A A H 3> S+ 0 0 55 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.796 135.3 54.5 -69.1 -28.6 22.8 38.3 18.2 92 93 A V H <> S+ 0 0 3 -3,-0.8 4,-2.5 2,-0.2 -1,-0.2 0.939 103.7 53.2 -72.2 -48.2 19.3 37.8 16.7 93 94 A A H X S+ 0 0 21 -4,-1.1 4,-2.2 1,-0.2 -2,-0.2 0.909 112.3 46.0 -48.5 -47.3 20.0 40.0 13.6 94 95 A A H X S+ 0 0 60 -4,-1.6 4,-2.3 1,-0.2 -1,-0.2 0.844 110.7 52.0 -69.4 -35.5 23.1 38.0 12.8 95 96 A A H X S+ 0 0 22 -4,-1.6 4,-2.3 2,-0.2 38,-0.2 0.908 110.9 48.8 -63.1 -42.9 21.4 34.6 13.3 96 97 A I H X S+ 0 0 1 -4,-2.5 4,-2.7 2,-0.2 5,-0.4 0.892 111.4 48.1 -70.1 -40.0 18.7 35.7 11.0 97 98 A D H X S+ 0 0 74 -4,-2.2 4,-1.9 -5,-0.2 -1,-0.2 0.916 112.2 50.2 -61.5 -44.7 21.1 36.9 8.3 98 99 A A H < S+ 0 0 91 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.920 120.1 35.8 -59.5 -43.0 23.1 33.6 8.6 99 100 A A H < S+ 0 0 47 -4,-2.3 -2,-0.2 -5,-0.1 -1,-0.2 0.839 136.0 15.4 -83.4 -34.9 20.0 31.5 8.2 100 101 A F H < S- 0 0 42 -4,-2.7 2,-0.5 -5,-0.2 -3,-0.2 0.467 97.1-115.0-124.5 -5.4 17.8 33.4 5.8 101 102 A G S < S+ 0 0 44 -4,-1.9 2,-0.3 -5,-0.4 -4,-0.2 -0.335 86.1 6.3 99.9 -51.6 20.2 35.9 4.1 102 103 A S S > S- 0 0 34 -2,-0.5 4,-2.3 -6,-0.2 5,-0.2 -0.971 73.5-107.9-152.4 165.4 18.6 39.1 5.4 103 104 A F H > S+ 0 0 15 -2,-0.3 4,-3.4 2,-0.2 5,-0.2 0.943 120.2 55.5 -57.5 -47.1 15.8 40.2 7.8 104 105 A E H > S+ 0 0 117 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.887 110.3 45.4 -54.8 -41.9 13.7 41.2 4.8 105 106 A E H > S+ 0 0 101 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.874 113.1 48.4 -69.3 -43.4 14.0 37.7 3.4 106 107 A F H X S+ 0 0 0 -4,-2.3 4,-2.8 2,-0.2 5,-0.3 0.913 111.0 53.6 -58.8 -45.6 13.3 36.0 6.7 107 108 A K H X S+ 0 0 68 -4,-3.4 4,-2.3 1,-0.2 -2,-0.2 0.882 108.8 46.7 -57.8 -43.8 10.3 38.4 7.0 108 109 A A H X S+ 0 0 63 -4,-1.9 4,-2.3 -5,-0.2 -1,-0.2 0.907 115.4 47.3 -66.2 -42.8 8.8 37.4 3.6 109 110 A K H X S+ 0 0 143 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.921 113.0 46.0 -65.4 -50.1 9.3 33.7 4.4 110 111 A F H X S+ 0 0 0 -4,-2.8 4,-2.0 1,-0.2 -2,-0.2 0.926 114.6 50.3 -56.1 -49.6 7.8 33.8 7.9 111 112 A T H X S+ 0 0 27 -4,-2.3 4,-2.5 -5,-0.3 5,-0.2 0.889 110.8 47.2 -57.9 -42.9 4.9 35.9 6.6 112 113 A D H X S+ 0 0 100 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.919 110.9 52.3 -67.1 -41.0 4.2 33.5 3.7 113 114 A S H < S+ 0 0 23 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.883 114.1 44.1 -62.8 -33.4 4.3 30.5 6.0 114 115 A A H >< S+ 0 0 0 -4,-2.0 3,-1.6 2,-0.2 -2,-0.2 0.929 109.6 51.9 -77.4 -47.6 1.8 32.2 8.4 115 116 A I H 3< S+ 0 0 50 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.888 116.1 43.9 -58.5 -35.3 -0.7 33.5 5.8 116 117 A N T 3< S+ 0 0 90 -4,-1.8 2,-0.7 -5,-0.2 -1,-0.3 0.317 78.7 119.4 -96.3 7.4 -0.9 30.0 4.4 117 118 A N < - 0 0 13 -3,-1.6 2,-0.3 -4,-0.1 4,-0.1 -0.651 66.5-130.5 -77.0 108.9 -1.0 28.0 7.7 118 119 A F - 0 0 55 -2,-0.7 2,-0.1 2,-0.1 -2,-0.1 -0.489 56.2 -21.6 -78.1 126.4 -4.4 26.3 7.3 119 120 A G S S- 0 0 4 -2,-0.3 2,-0.4 20,-0.1 194,-0.1 -0.388 119.1 -6.0 83.5-163.1 -7.0 26.4 10.0 120 121 A S S S+ 0 0 0 -2,-0.1 20,-3.2 39,-0.1 2,-0.3 -0.557 94.6 136.5 -65.7 121.9 -6.3 27.1 13.7 121 122 A S E -B 139 0B 0 -2,-0.4 37,-2.7 18,-0.3 38,-0.5 -0.941 48.7-127.4-163.0 176.7 -2.5 27.3 13.9 122 123 A W E -BC 138 157B 0 16,-2.2 16,-2.8 -2,-0.3 2,-0.5 -0.999 13.1-151.5-139.7 134.6 0.8 28.7 15.0 123 124 A T E -BC 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4,-1.5 -99,-0.2 3,-0.8 -0.730 21.8 179.3 -89.6 89.0 -33.7 24.3 8.0 378 185 B W H 3> S+ 0 0 25 -2,-1.3 4,-2.6 1,-0.2 -1,-0.2 0.781 77.3 67.2 -62.4 -30.0 -35.4 20.9 8.6 379 186 B S H 3> S+ 0 0 83 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.895 104.3 43.9 -49.9 -45.8 -36.8 21.0 5.0 380 187 B F H <> S+ 0 0 15 -3,-0.8 4,-2.3 -108,-0.2 -2,-0.2 0.864 110.5 54.1 -72.7 -35.1 -33.2 20.7 3.7 381 188 B V H X S+ 0 0 0 -4,-1.5 4,-1.3 2,-0.2 -2,-0.2 0.907 108.7 50.6 -63.4 -40.5 -32.4 17.9 6.3 382 189 B E H >X S+ 0 0 97 -4,-2.6 4,-0.7 2,-0.2 3,-0.6 0.948 107.4 51.4 -65.5 -47.4 -35.4 16.0 5.0 383 190 B E H >X S+ 0 0 123 -4,-2.0 3,-1.4 1,-0.2 4,-0.9 0.928 109.2 53.5 -49.1 -45.4 -34.3 16.3 1.3 384 191 B N H 3< S+ 0 0 3 -4,-2.3 -1,-0.2 1,-0.3 3,-0.2 0.783 95.8 65.7 -64.4 -26.6 -30.9 15.0 2.4 385 192 B L H << S+ 0 0 39 -4,-1.3 -1,-0.3 -3,-0.6 -2,-0.2 0.742 104.4 46.6 -69.5 -20.9 -32.5 12.0 4.1 386 193 B A H << 0 0 97 -3,-1.4 -1,-0.2 -4,-0.7 -2,-0.2 0.606 360.0 360.0 -94.6 -19.2 -33.6 10.8 0.5 387 194 B K < 0 0 130 -4,-0.9 -1,-0.2 -3,-0.2 -2,-0.1 0.183 360.0 360.0 -73.7 360.0 -30.2 11.5 -1.1