==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 19-DEC-08 3FMC . COMPND 2 MOLECULE: PUTATIVE SUCCINYLGLUTAMATE DESUCCINYLASE / ASPART . SOURCE 2 ORGANISM_SCIENTIFIC: SHEWANELLA AMAZONENSIS; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 1461 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 49288.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1063 72.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 124 8.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 248 17.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.3 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 . 4 0.3 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 . 155 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 139 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 320 21.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 0.5 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 4 0 0 0 4 0 0 0 0 4 4 0 0 4 4 0 4 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 8 8 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 PARALLEL BRIDGES PER LADDER . 14 14 5 9 10 0 0 3 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 . 2 0 6 2 0 0 0 0 4 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 3 A V 0 0 89 0, 0.0 23,-0.2 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 108.9 116.9 31.4 52.1 2 4 A D E -A 23 0A 113 21,-1.5 21,-3.2 20,-0.0 2,-0.4 -0.475 360.0-168.4 -68.4 135.3 115.7 28.0 53.5 3 5 A K E +A 22 0A 75 19,-0.2 2,-0.3 -2,-0.2 19,-0.2 -0.995 13.9 164.3-129.7 136.2 114.5 25.7 50.7 4 6 A H E -A 21 0A 64 17,-2.4 17,-3.1 -2,-0.4 2,-0.4 -0.896 30.3-120.1-137.7 170.8 112.5 22.4 50.9 5 7 A E E -A 20 0A 130 -2,-0.3 2,-0.5 15,-0.2 -2,-0.0 -0.916 16.2-156.2-115.4 143.4 110.6 20.3 48.4 6 8 A V E -A 19 0A 26 13,-2.2 13,-2.2 -2,-0.4 2,-0.3 -0.980 17.1-131.5-122.0 125.6 106.9 19.4 48.6 7 9 A R E +A 18 0A 150 -2,-0.5 11,-0.3 11,-0.2 3,-0.1 -0.633 31.9 164.9 -81.1 129.7 105.6 16.3 46.8 8 10 A V E - 0 0 9 9,-3.1 2,-0.3 -2,-0.3 10,-0.2 0.429 59.2 -33.7-122.8 -6.2 102.4 16.9 44.8 9 11 A G E -A 17 0A 4 8,-1.4 8,-2.4 141,-0.1 2,-0.3 -0.982 51.5-115.1 175.3-166.1 102.1 13.8 42.5 10 12 A E E -A 16 0A 30 -2,-0.3 707,-2.7 6,-0.3 2,-0.2 -0.952 20.3-128.9-162.7 144.1 103.9 11.1 40.5 11 13 A L > - 0 0 13 4,-2.8 3,-2.1 -2,-0.3 650,-0.2 -0.590 28.8-108.4-101.2 154.7 104.2 10.2 36.8 12 14 A A T 3 S+ 0 0 1 1,-0.3 703,-0.1 -2,-0.2 651,-0.1 0.767 116.6 55.2 -47.7 -44.3 103.6 6.8 35.1 13 15 A A T 3 S- 0 0 3 1160,-0.2 -1,-0.3 649,-0.1 674,-0.1 0.538 126.4 -96.7 -73.8 -5.6 107.3 6.2 34.4 14 16 A G S < S+ 0 0 13 -3,-2.1 -2,-0.1 1,-0.3 647,-0.1 0.152 75.8 139.4 116.0 -13.3 108.1 6.7 38.1 15 17 A Q - 0 0 35 -5,-0.1 -4,-2.8 1,-0.1 -1,-0.3 -0.353 48.3-128.9 -70.9 129.8 109.2 10.3 38.4 16 18 A P E -A 10 0A 57 0, 0.0 2,-0.6 0, 0.0 -6,-0.3 -0.506 12.1-136.0 -73.6 148.8 108.0 12.2 41.4 17 19 A L E +A 9 0A 9 -8,-2.4 -9,-3.1 -2,-0.2 -8,-1.4 -0.950 38.0 163.6-105.5 115.7 106.3 15.6 40.9 18 20 A S E -A 7 0A 20 -2,-0.6 -11,-0.2 -11,-0.3 1096,-0.1 -0.910 28.3-140.2-134.8 160.5 107.6 18.1 43.5 19 21 A L E -A 6 0A 0 -13,-2.2 -13,-2.2 -2,-0.3 2,-0.5 -0.926 19.6-124.2-120.1 145.4 107.7 21.8 44.1 20 22 A P E -A 5 0A 9 0, 0.0 2,-0.5 0, 0.0 -15,-0.2 -0.789 24.8-163.5 -89.6 130.9 110.5 24.0 45.5 21 23 A V E -A 4 0A 0 -17,-3.1 -17,-2.4 -2,-0.5 2,-0.4 -0.981 1.5-163.3-120.2 118.5 109.4 26.0 48.5 22 24 A Y E -AB 3 68A 5 46,-2.9 46,-3.1 -2,-0.5 2,-0.4 -0.867 8.3-165.4-105.2 130.7 111.6 29.0 49.5 23 25 A R E -AB 2 67A 85 -21,-3.2 -21,-1.5 -2,-0.4 2,-0.5 -0.978 15.0-166.1-127.9 133.2 111.2 30.4 52.9 24 26 A F E - B 0 66A 22 42,-2.9 42,-2.1 -2,-0.4 2,-0.4 -0.977 25.7-133.9-110.6 125.6 112.4 33.7 54.5 25 27 A K - 0 0 111 -2,-0.5 37,-0.2 40,-0.2 2,-0.2 -0.697 17.3-140.5 -85.3 128.9 112.1 33.8 58.3 26 28 A G - 0 0 18 -2,-0.4 2,-0.4 37,-0.1 37,-0.3 -0.527 6.9-155.5 -85.2 156.1 110.6 36.9 59.8 27 29 A K + 0 0 74 35,-2.3 2,-0.3 -2,-0.2 37,-0.1 -0.852 68.0 33.1-133.0 87.8 111.9 38.6 63.0 28 30 A G S S- 0 0 63 -2,-0.4 37,-0.1 2,-0.1 -2,-0.1 -0.962 99.8 -69.6 155.5-167.7 108.9 40.5 64.3 29 31 A A S S+ 0 0 110 -2,-0.3 35,-0.2 35,-0.1 3,-0.1 0.033 77.4 133.2-109.3 24.2 105.1 40.5 64.5 30 32 A G - 0 0 20 33,-1.5 35,-0.4 237,-0.2 237,-0.2 -0.309 64.6 -87.2 -74.3 158.6 104.4 41.1 60.8 31 33 A P - 0 0 22 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.287 41.6-115.4 -64.7 150.8 101.9 39.1 58.8 32 34 A S - 0 0 27 32,-0.2 132,-1.7 129,-0.1 131,-1.1 -0.632 30.0-154.9 -86.7 148.5 102.9 35.9 57.2 33 35 A V E -cd 66 164A 4 32,-2.6 34,-2.5 -2,-0.3 2,-0.4 -0.959 13.6-167.1-127.8 140.1 102.9 35.6 53.4 34 36 A Y E -cd 67 165A 2 130,-3.0 132,-2.4 -2,-0.4 2,-0.4 -0.999 13.5-178.1-125.4 124.5 102.5 32.7 50.9 35 37 A I E +cd 68 166A 0 32,-2.5 34,-2.8 -2,-0.4 2,-0.3 -0.980 3.1 175.0-124.2 134.3 103.3 33.4 47.2 36 38 A Q E -cd 69 167A 0 130,-1.9 132,-3.3 -2,-0.4 2,-0.3 -0.964 5.8-169.7-137.5 157.4 103.0 30.9 44.3 37 39 A A E + d 0 168A 0 32,-2.2 35,-2.1 -2,-0.3 132,-0.2 -0.970 55.7 28.3-142.9 153.8 103.4 31.0 40.5 38 40 A N + 0 0 0 130,-1.1 35,-0.5 5,-0.4 39,-0.2 0.728 52.8 142.3 72.1 33.7 102.8 29.0 37.4 39 41 A V S S+ 0 0 2 129,-0.4 2,-0.7 33,-0.2 37,-0.1 0.874 76.4 60.3 -62.7 -37.9 99.9 26.8 38.5 40 42 A H S > S- 0 0 5 3,-0.1 3,-1.9 1,-0.1 48,-0.2 -0.864 94.9-140.4 -90.3 115.8 98.9 27.4 34.8 41 43 A G T 3 S+ 0 0 0 46,-2.8 -1,-0.1 -2,-0.7 47,-0.1 0.729 95.6 48.8 -51.0 -39.0 101.8 25.9 32.9 42 44 A A T 3 S+ 0 0 6 43,-0.2 202,-3.0 1,-0.2 2,-1.9 0.651 88.8 87.2 -78.1 -12.9 102.1 28.6 30.2 43 45 A E X + 0 0 7 -3,-1.9 3,-0.8 200,-0.2 -5,-0.4 -0.402 50.5 149.0 -90.2 62.6 102.0 31.5 32.7 44 46 A V T >> + 0 0 0 -2,-1.9 3,-2.2 1,-0.2 4,-0.7 0.698 45.7 82.2 -77.4 -19.9 105.8 31.4 33.3 45 47 A Q H 3> S+ 0 0 0 197,-0.3 4,-2.1 1,-0.3 3,-0.5 0.810 78.8 72.1 -58.5 -30.7 106.4 35.1 34.0 46 48 A G H <> S+ 0 0 0 -3,-0.8 4,-1.9 1,-0.2 -1,-0.3 0.775 92.3 57.3 -51.2 -31.2 105.4 34.6 37.6 47 49 A N H <> S+ 0 0 0 -3,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.894 105.3 49.3 -66.6 -43.4 108.6 32.6 38.1 48 50 A A H X S+ 0 0 0 -4,-0.7 4,-2.6 -3,-0.5 -2,-0.2 0.882 109.7 52.4 -63.3 -35.6 110.6 35.7 37.0 49 51 A V H X S+ 0 0 0 -4,-2.1 4,-2.8 2,-0.2 -2,-0.2 0.919 110.2 47.4 -65.3 -44.7 108.6 37.8 39.5 50 52 A I H X S+ 0 0 0 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.911 111.4 52.2 -61.2 -44.4 109.4 35.4 42.3 51 53 A Y H X S+ 0 0 20 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.954 114.0 42.1 -55.7 -50.9 113.1 35.5 41.3 52 54 A Q H X S+ 0 0 29 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.894 113.2 53.0 -67.0 -40.6 113.2 39.3 41.4 53 55 A L H X S+ 0 0 0 -4,-2.8 4,-3.4 1,-0.2 -1,-0.2 0.939 109.6 48.0 -61.7 -44.3 111.2 39.5 44.6 54 56 A X H X S+ 0 0 0 -4,-2.6 4,-1.1 1,-0.2 -2,-0.2 0.894 110.1 52.6 -65.5 -36.6 113.6 37.1 46.4 55 57 A K H < S+ 0 0 63 -4,-2.1 -1,-0.2 -5,-0.2 3,-0.2 0.923 114.8 42.4 -63.6 -42.6 116.6 39.1 45.1 56 58 A L H >< S+ 0 0 35 -4,-2.4 3,-2.4 1,-0.2 -2,-0.2 0.937 107.4 59.0 -67.2 -48.2 115.0 42.3 46.5 57 59 A L H >< S+ 0 0 3 -4,-3.4 3,-1.8 1,-0.3 -1,-0.2 0.741 89.1 75.1 -54.9 -26.1 113.9 40.7 49.8 58 60 A E T 3< S+ 0 0 83 -4,-1.1 -1,-0.3 1,-0.3 -2,-0.1 0.516 99.7 44.5 -64.2 -6.2 117.5 39.8 50.5 59 61 A H T < S+ 0 0 150 -3,-2.4 2,-0.3 2,-0.0 -1,-0.3 0.100 100.6 81.8-124.7 17.8 118.0 43.5 51.3 60 62 A Y S < S- 0 0 75 -3,-1.8 2,-0.8 -4,-0.0 208,-0.0 -0.803 81.9-110.0-119.3 164.6 115.0 44.3 53.5 61 63 A E - 0 0 106 -2,-0.3 208,-2.4 -35,-0.0 2,-0.5 -0.861 34.5-146.4 -96.2 107.2 114.2 43.7 57.1 62 64 A L B +J 268 0B 19 -2,-0.8 -35,-2.3 206,-0.2 206,-0.3 -0.640 25.7 172.9 -80.4 120.5 111.6 40.9 57.2 63 65 A L S S+ 0 0 43 204,-3.1 -33,-1.5 -2,-0.5 2,-0.3 0.677 71.2 38.8 -95.4 -25.3 109.1 41.3 60.1 64 66 A G S S- 0 0 2 203,-1.9 -32,-0.2 -35,-0.2 2,-0.1 -0.888 92.6 -96.4-124.1 159.2 106.9 38.4 58.8 65 67 A D - 0 0 82 -35,-0.4 -32,-2.6 -2,-0.3 2,-0.4 -0.436 34.4-163.7 -70.5 144.6 107.6 35.0 57.3 66 68 A I E -Bc 24 33A 0 -42,-2.1 -42,-2.9 -34,-0.2 2,-0.4 -0.994 6.5-172.1-131.2 128.1 107.4 34.7 53.5 67 69 A S E -Bc 23 34A 12 -34,-2.5 -32,-2.5 -2,-0.4 2,-0.4 -0.959 7.5-165.4-114.1 134.9 107.2 31.4 51.6 68 70 A L E -Bc 22 35A 0 -46,-3.1 -46,-2.9 -2,-0.4 -32,-0.2 -0.989 8.7-172.5-128.0 130.2 107.5 31.4 47.8 69 71 A V E + c 0 36A 0 -34,-2.8 -32,-2.2 -2,-0.4 3,-0.4 -0.808 11.8 173.2-123.4 84.8 106.5 28.5 45.5 70 72 A P + 0 0 0 0, 0.0 -32,-0.1 0, 0.0 -23,-0.1 -0.337 68.6 33.6 -77.9 170.8 107.6 29.1 41.9 71 73 A L S S+ 0 0 7 1,-0.1 -33,-0.2 -27,-0.1 -32,-0.1 0.864 75.8 168.7 52.0 44.0 107.1 26.2 39.3 72 74 A A + 0 0 0 -35,-2.1 -33,-0.2 -3,-0.4 -1,-0.1 0.483 63.6 36.2 -73.9 -6.6 104.0 25.2 41.2 73 75 A N > + 0 0 5 -35,-0.5 4,-2.9 -36,-0.1 3,-0.5 -0.572 59.8 172.1-145.6 74.7 102.6 22.7 38.7 74 76 A P H > S+ 0 0 1 0, 0.0 4,-2.6 0, 0.0 1038,-0.2 0.852 79.9 58.9 -56.5 -36.3 105.4 20.7 37.0 75 77 A L H 4 S+ 0 0 18 1,-0.2 4,-0.2 2,-0.2 -2,-0.0 0.929 115.6 35.9 -60.0 -42.7 102.9 18.4 35.2 76 78 A G H >4 S+ 0 0 1 -3,-0.5 3,-1.2 2,-0.2 -1,-0.2 0.897 115.8 54.9 -73.2 -40.6 101.3 21.5 33.5 77 79 A I H 3< S+ 0 0 0 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.867 111.4 44.8 -59.7 -39.2 104.6 23.4 33.1 78 80 A N T 3< S+ 0 0 12 -4,-2.6 2,-0.7 -5,-0.2 -1,-0.2 0.452 87.6 107.2 -90.5 4.2 106.2 20.5 31.2 79 81 A Q < - 0 0 9 -3,-1.2 7,-1.9 -4,-0.2 2,-0.3 -0.733 46.8-177.8 -92.1 110.3 103.2 19.7 28.9 80 82 A K E +K 85 0C 4 -2,-0.7 2,-0.3 5,-0.3 5,-0.2 -0.817 18.3 179.9-105.0 149.3 103.7 20.7 25.3 81 83 A S E > S-K 84 0C 12 3,-2.6 3,-0.6 -2,-0.3 1110,-0.2 -0.909 75.6 -39.0-140.7 108.6 101.4 20.5 22.3 82 84 A G T 3 S- 0 0 2 1108,-2.5 2,-0.6 -2,-0.3 -1,-0.2 -0.366 121.7 -29.4 63.0-146.4 103.1 21.9 19.3 83 85 A E T 3 S+ 0 0 29 1108,-0.2 2,-0.3 -3,-0.1 -1,-0.2 -0.203 124.2 83.9 -95.7 42.2 105.2 24.9 20.1 84 86 A F E < S-K 81 0C 15 -2,-0.6 -3,-2.6 -3,-0.6 2,-0.7 -0.993 82.4-114.8-147.2 140.5 102.8 25.9 23.0 85 87 A T E -K 80 0C 0 -2,-0.3 2,-1.6 -5,-0.2 -5,-0.3 -0.738 17.9-154.2 -81.5 118.5 102.6 24.8 26.6 86 88 A L + 0 0 17 -7,-1.9 -1,-0.1 -2,-0.7 729,-0.1 -0.636 50.0 134.9 -89.0 77.2 99.2 23.0 27.1 87 89 A G + 0 0 3 -2,-1.6 -46,-2.8 1,-0.1 -1,-0.2 0.361 35.2 80.8-118.6 8.0 99.3 24.0 30.7 88 90 A R S S+ 0 0 77 -48,-0.2 9,-1.8 -3,-0.2 10,-0.5 0.738 97.2 15.0 -92.2 -29.2 95.9 25.2 31.7 89 91 A F B S-L 96 0D 6 7,-0.3 7,-0.3 8,-0.1 -1,-0.1 -0.947 92.0 -77.4-144.1 162.8 94.0 22.0 32.3 90 92 A D > - 0 0 10 5,-2.5 4,-3.3 -2,-0.3 5,-0.2 -0.456 40.4-145.3 -59.9 119.6 94.5 18.3 32.9 91 93 A P T 4 S+ 0 0 9 0, 0.0 1090,-2.4 0, 0.0 -1,-0.2 0.728 96.3 52.8 -67.2 -19.0 95.1 17.1 29.3 92 94 A I T 4 S+ 0 0 8 1088,-0.2 1090,-0.2 3,-0.1 1088,-0.1 0.927 128.0 13.5 -76.9 -47.8 93.3 13.9 30.1 93 95 A T T 4 S- 0 0 60 1088,-0.1 3,-0.1 2,-0.1 369,-0.1 0.652 91.7-122.7-108.8 -19.2 90.0 15.4 31.4 94 96 A G < + 0 0 4 -4,-3.3 2,-0.5 1,-0.3 362,-0.1 0.371 57.0 150.7 89.0 4.1 90.1 19.1 30.5 95 97 A V - 0 0 59 -5,-0.2 -5,-2.5 -6,-0.1 -1,-0.3 -0.545 50.4-120.0 -79.2 121.9 89.7 20.2 34.1 96 98 A N B > -L 89 0D 23 -2,-0.5 3,-1.9 -7,-0.3 -7,-0.3 -0.334 13.4-138.1 -56.2 127.5 91.3 23.6 34.7 97 99 A W G > S+ 0 0 3 -9,-1.8 3,-1.2 1,-0.3 -1,-0.1 0.835 104.3 57.1 -61.5 -32.9 94.0 23.2 37.4 98 100 A N G 3 S+ 0 0 14 -10,-0.5 -1,-0.3 1,-0.2 -2,-0.1 0.050 98.8 61.2 -88.0 22.3 92.8 26.5 39.0 99 101 A R G < S+ 0 0 121 -3,-1.9 -1,-0.2 107,-0.1 -2,-0.2 0.228 85.6 80.1-118.8 10.1 89.3 25.0 39.4 100 102 A E < + 0 0 25 -3,-1.2 53,-0.2 48,-0.1 106,-0.1 0.223 60.7 120.7-100.8 9.7 90.5 22.1 41.7 101 103 A Y - 0 0 9 104,-2.2 2,-0.5 51,-0.1 52,-0.1 -0.284 67.6 -99.5 -76.4 166.8 90.8 23.9 45.0 102 104 A L - 0 0 11 50,-0.1 2,-0.7 47,-0.1 -1,-0.1 -0.771 20.8-152.3 -96.2 120.1 88.8 22.8 48.1 103 105 A D - 0 0 86 -2,-0.5 2,-0.6 100,-0.1 107,-0.1 -0.806 27.9-126.1 -83.9 114.4 85.6 24.5 49.2 104 106 A H - 0 0 16 -2,-0.7 27,-0.0 106,-0.2 31,-0.0 -0.560 25.7-168.1 -68.9 116.5 85.4 23.9 52.9 105 107 A G + 0 0 72 -2,-0.6 -1,-0.2 2,-0.1 3,-0.1 0.828 43.5 113.1 -74.3 -35.7 81.9 22.4 53.4 106 108 A F S S- 0 0 48 1,-0.2 2,-0.8 2,-0.1 3,-0.1 0.210 78.6 -97.7 -47.4 153.2 81.5 22.6 57.1 107 109 A N > - 0 0 93 1,-0.2 4,-2.4 2,-0.1 -1,-0.2 -0.665 31.7-168.9 -79.9 112.0 78.9 24.8 58.8 108 110 A I H > S+ 0 0 19 -2,-0.8 4,-3.0 2,-0.2 5,-0.2 0.810 86.2 59.6 -71.8 -33.7 80.8 28.0 59.9 109 111 A E H > S+ 0 0 70 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.958 112.1 40.6 -55.2 -49.5 77.8 29.1 62.0 110 112 A V H > S+ 0 0 69 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.924 114.0 51.9 -67.7 -42.1 78.1 25.9 64.0 111 113 A W H X S+ 0 0 17 -4,-2.4 4,-0.6 1,-0.2 -1,-0.2 0.928 110.8 49.4 -59.6 -45.6 81.9 26.1 64.1 112 114 A Y H >X S+ 0 0 10 -4,-3.0 3,-1.6 2,-0.2 4,-1.3 0.940 110.0 49.7 -59.4 -51.0 81.7 29.7 65.3 113 115 A Q H >< S+ 0 0 91 -4,-2.3 3,-0.5 1,-0.3 4,-0.2 0.907 108.9 53.5 -57.4 -40.4 79.2 28.8 68.1 114 116 A E H 3< S+ 0 0 131 -4,-2.5 -1,-0.3 1,-0.2 -2,-0.2 0.617 122.0 29.4 -70.7 -11.7 81.4 26.0 69.2 115 117 A H H X< S+ 0 0 39 -3,-1.6 3,-2.4 -4,-0.6 -1,-0.2 0.338 85.0 107.2-125.1 1.9 84.4 28.3 69.5 116 118 A S T << S+ 0 0 42 -4,-1.3 -3,-0.1 -3,-0.5 -2,-0.1 0.605 72.6 64.7 -63.5 -13.3 82.8 31.6 70.4 117 119 A H T 3 S+ 0 0 143 -4,-0.2 -1,-0.3 2,-0.1 2,-0.2 0.531 86.7 92.8 -82.9 -10.7 84.1 31.4 74.0 118 120 A L S < S- 0 0 42 -3,-2.4 -3,-0.1 1,-0.1 2,-0.0 -0.502 85.0-107.0 -82.6 153.8 87.7 31.6 72.8 119 121 A D > - 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