==== 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 LYASE 20-SEP-04 1VMD . COMPND 2 MOLECULE: METHYLGLYOXAL SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOTOGA MARITIMA; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 312 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14872.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 229 73.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 34 10.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 14 4.5 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 . 0 0.0 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 . 26 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 109 34.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 2.6 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 0 0 2 6 2 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 4 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 0 0 PARALLEL BRIDGES PER LADDER . 0 0 0 0 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 ANTIPARALLEL BRIDGES PER LADDER . 2 0 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 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 5 A P 0 0 55 0, 0.0 142,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 151.2 59.3 43.4 34.5 2 6 A R - 0 0 160 140,-0.2 140,-2.6 139,-0.1 2,-0.5 -0.154 360.0-145.5 -68.6 150.1 61.8 43.1 31.6 3 7 A R E -A 141 0A 78 138,-0.2 2,-0.4 139,-0.1 138,-0.2 -0.987 24.0-159.4-112.4 114.6 61.0 42.8 27.9 4 8 A Y E -A 140 0A 91 136,-3.3 136,-2.6 -2,-0.5 2,-0.6 -0.795 16.0-131.3-101.8 142.0 63.7 40.6 26.2 5 9 A K E -A 139 0A 61 -2,-0.4 2,-0.4 134,-0.2 134,-0.2 -0.792 33.9-180.0 -88.5 118.8 64.6 40.4 22.5 6 10 A I E -A 138 0A 68 132,-3.1 132,-3.6 -2,-0.6 2,-0.4 -0.961 22.9-131.7-127.9 133.0 64.6 36.7 21.4 7 11 A F E -A 137 0A 147 -2,-0.4 2,-0.3 130,-0.2 130,-0.2 -0.751 21.0-155.5 -90.1 136.9 65.3 35.2 18.0 8 12 A M E -A 136 0A 24 128,-3.4 128,-1.5 -2,-0.4 4,-0.1 -0.824 22.5 -97.6-115.6 152.3 62.9 32.6 16.5 9 13 A D - 0 0 103 -2,-0.3 125,-0.2 126,-0.2 -1,-0.1 -0.203 15.8-129.8 -77.6 155.8 63.6 29.9 13.9 10 14 A K S S+ 0 0 41 123,-0.1 2,-0.5 125,-0.1 -1,-0.1 0.882 97.0 64.4 -64.0 -46.3 62.9 29.9 10.2 11 15 A K S S- 0 0 101 122,-0.1 2,-0.2 29,-0.1 -2,-0.2 -0.754 82.5-149.7 -86.5 122.9 61.1 26.5 10.3 12 16 A K - 0 0 2 -2,-0.5 29,-2.5 120,-0.2 2,-0.6 -0.504 15.1-138.7 -98.1 157.0 57.9 26.7 12.3 13 17 A R E -b 41 0B 62 27,-0.2 71,-2.7 -2,-0.2 72,-1.3 -0.938 33.1-165.3-112.7 104.3 56.0 24.2 14.5 14 18 A I E -bc 42 85B 2 27,-2.9 29,-2.8 -2,-0.6 2,-0.5 -0.790 15.2-154.7-106.8 126.3 52.3 24.8 13.7 15 19 A A E -bc 43 86B 0 70,-2.7 72,-3.1 -2,-0.5 2,-0.5 -0.866 10.8-159.8 -98.1 131.9 49.3 23.6 15.6 16 20 A L E +bc 44 87B 0 27,-2.6 29,-0.9 -2,-0.5 2,-0.4 -0.957 18.0 168.0-116.1 117.8 46.1 23.4 13.5 17 21 A I E - c 0 88B 2 70,-2.8 72,-2.1 -2,-0.5 2,-0.3 -0.983 9.4-179.7-134.0 141.7 42.8 23.3 15.4 18 22 A A E - c 0 89B 4 -2,-0.4 72,-0.2 70,-0.2 5,-0.1 -0.974 27.3-127.7-144.5 133.5 39.2 23.6 14.4 19 23 A H >> - 0 0 8 70,-2.2 3,-1.8 -2,-0.3 4,-0.6 -0.349 49.8 -97.4 -61.0 158.7 35.7 23.7 16.2 20 24 A D G >4 S+ 0 0 62 1,-0.3 3,-1.0 2,-0.2 4,-0.4 0.842 123.8 48.2 -55.8 -42.8 33.5 21.1 14.5 21 25 A R G 34 S+ 0 0 62 1,-0.2 -1,-0.3 2,-0.1 4,-0.1 0.467 113.7 50.2 -81.6 -2.5 31.6 23.5 12.2 22 26 A R G <> S+ 0 0 15 -3,-1.8 4,-2.5 67,-0.2 -1,-0.2 0.403 82.9 94.3-104.1 -2.0 34.9 25.0 11.1 23 27 A K H S+ 0 0 223 -4,-0.4 4,-2.0 1,-0.2 -1,-0.2 0.875 112.3 54.0 -63.7 -35.4 35.8 21.7 6.5 25 29 A D H > S+ 0 0 9 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.920 108.3 47.7 -61.7 -47.8 36.9 25.4 6.4 26 30 A L H X S+ 0 0 1 -4,-2.5 4,-2.9 1,-0.2 5,-0.2 0.909 109.9 54.4 -59.0 -43.3 40.3 24.6 7.9 27 31 A L H X S+ 0 0 23 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.897 110.2 45.9 -53.4 -47.2 40.6 21.7 5.4 28 32 A E H X S+ 0 0 85 -4,-2.0 4,-1.5 2,-0.2 -2,-0.2 0.931 112.0 50.3 -68.4 -46.9 40.0 24.1 2.5 29 33 A W H X S+ 0 0 3 -4,-2.6 4,-0.8 1,-0.2 3,-0.5 0.932 111.7 48.2 -54.4 -47.6 42.4 26.7 3.9 30 34 A V H >< S+ 0 0 0 -4,-2.9 3,-0.8 1,-0.2 4,-0.4 0.905 108.2 56.9 -61.3 -35.6 45.1 24.1 4.3 31 35 A S H 3< S+ 0 0 55 -4,-1.9 3,-0.3 1,-0.3 -1,-0.2 0.777 107.9 45.3 -69.7 -31.8 44.4 22.9 0.8 32 36 A F H 3< S+ 0 0 154 -4,-1.5 -1,-0.3 -3,-0.5 -2,-0.2 0.527 119.9 42.4 -83.2 -10.3 45.1 26.4 -0.7 33 37 A N S XX S+ 0 0 29 -3,-0.8 4,-2.6 -4,-0.8 3,-0.5 0.192 73.5 119.1-124.5 17.7 48.3 26.8 1.4 34 38 A L H 3> S+ 0 0 66 -4,-0.4 4,-1.9 -3,-0.3 -1,-0.1 0.828 70.3 59.4 -49.5 -42.7 49.8 23.3 1.1 35 39 A G H 34 S+ 0 0 50 2,-0.2 -1,-0.2 1,-0.2 4,-0.1 0.893 113.6 35.0 -60.6 -44.4 53.0 24.6 -0.6 36 40 A T H X4 S+ 0 0 39 -3,-0.5 3,-1.9 1,-0.2 4,-0.2 0.929 117.2 53.1 -76.5 -45.2 54.0 26.9 2.3 37 41 A L H >< S+ 0 0 2 -4,-2.6 3,-1.4 1,-0.3 -2,-0.2 0.767 98.0 65.5 -61.9 -27.7 52.7 24.7 5.1 38 42 A S T 3< S+ 0 0 89 -4,-1.9 -1,-0.3 -5,-0.3 -2,-0.2 0.569 92.0 64.0 -75.5 -6.4 54.7 21.8 3.8 39 43 A K T < S+ 0 0 127 -3,-1.9 -1,-0.2 -4,-0.1 2,-0.2 0.527 103.2 54.5 -84.2 -10.9 57.9 23.7 4.6 40 44 A H S < S- 0 0 13 -3,-1.4 2,-0.4 -4,-0.2 -27,-0.2 -0.629 94.0 -97.1-117.7 170.6 57.1 23.6 8.4 41 45 A E E -b 13 0B 60 -29,-2.5 -27,-2.9 -2,-0.2 2,-0.4 -0.836 42.0-151.9 -93.6 134.5 56.2 20.9 10.9 42 46 A L E +b 14 0B 9 -2,-0.4 19,-2.8 17,-0.3 2,-0.3 -0.886 17.3 177.9-121.5 137.2 52.5 20.4 11.6 43 47 A Y E +bd 15 61B 30 -29,-2.8 -27,-2.6 -2,-0.4 2,-0.3 -0.922 5.0 177.5-127.7 155.5 50.4 19.2 14.5 44 48 A A E -bd 16 62B 0 17,-2.3 19,-3.1 -2,-0.3 -27,-0.2 -0.990 36.3 -95.8-152.3 153.5 46.7 18.8 15.1 45 49 A T > - 0 0 8 -29,-0.9 4,-2.8 -2,-0.3 20,-0.3 -0.243 59.0 -91.2 -57.9 159.9 44.2 17.6 17.6 46 50 A G H > S+ 0 0 3 18,-1.8 4,-1.8 1,-0.2 19,-0.2 0.835 117.7 36.0 -52.6 -50.5 43.1 14.0 17.0 47 51 A T H > S+ 0 0 76 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.913 118.3 47.8 -80.5 -42.5 40.0 14.4 14.8 48 52 A T H > S+ 0 0 3 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.921 112.0 54.6 -55.0 -48.7 41.1 17.4 12.7 49 53 A G H X S+ 0 0 0 -4,-2.8 4,-2.1 1,-0.2 -2,-0.2 0.900 107.7 47.9 -48.3 -50.7 44.4 15.5 12.2 50 54 A A H X S+ 0 0 28 -4,-1.8 4,-3.3 -5,-0.2 -1,-0.2 0.902 110.5 52.6 -62.0 -41.0 42.6 12.5 10.9 51 55 A L H X S+ 0 0 47 -4,-2.2 4,-3.0 1,-0.2 5,-0.3 0.926 109.0 48.5 -61.6 -45.2 40.6 14.6 8.5 52 56 A L H X S+ 0 0 0 -4,-2.6 4,-1.6 2,-0.2 6,-1.2 0.925 115.3 44.3 -61.4 -44.4 43.6 16.3 7.1 53 57 A Q H X S+ 0 0 71 -4,-2.1 4,-1.6 4,-0.2 -2,-0.2 0.931 118.1 45.1 -65.5 -44.5 45.4 13.0 6.5 54 58 A E H < S+ 0 0 132 -4,-3.3 -2,-0.2 1,-0.2 -1,-0.2 0.820 122.6 33.2 -71.5 -35.2 42.3 11.4 5.1 55 59 A K H < S+ 0 0 129 -4,-3.0 -1,-0.2 -5,-0.2 -2,-0.2 0.530 135.3 20.6 -99.4 -8.3 41.2 14.2 2.8 56 60 A L H < S- 0 0 53 -4,-1.6 -3,-0.2 -5,-0.3 -2,-0.2 0.459 92.0-119.5-135.7 -9.4 44.6 15.6 1.7 57 61 A G < + 0 0 71 -4,-1.6 -4,-0.2 -5,-0.4 2,-0.2 0.839 57.1 170.3 60.4 33.1 47.2 12.9 2.4 58 62 A L - 0 0 25 -6,-1.2 2,-0.8 -9,-0.1 -1,-0.2 -0.503 37.0-129.9 -80.9 145.9 48.8 15.4 4.7 59 63 A K + 0 0 90 -2,-0.2 2,-0.3 -3,-0.1 -17,-0.3 -0.862 45.8 152.2 -94.5 106.0 51.6 14.5 7.1 60 64 A V - 0 0 13 -2,-0.8 2,-0.5 -11,-0.1 -17,-0.2 -0.999 46.9-122.0-139.4 143.8 50.6 15.7 10.5 61 65 A H E -d 43 0B 91 -19,-2.8 -17,-2.3 -2,-0.3 2,-0.5 -0.713 34.1-144.2 -80.7 126.6 51.4 14.7 14.1 62 66 A R E -d 44 0B 131 -2,-0.5 -17,-0.2 -19,-0.2 2,-0.1 -0.811 15.3-169.3-100.3 124.3 48.2 13.9 15.8 63 67 A L - 0 0 36 -19,-3.1 7,-0.1 -2,-0.5 3,-0.1 -0.290 44.1 -67.7 -88.0-176.1 47.6 14.7 19.5 64 68 A K S S- 0 0 127 1,-0.2 -18,-1.8 -19,-0.2 -1,-0.2 -0.191 72.0 -70.5 -65.9 167.0 44.5 13.5 21.5 65 69 A S > > - 0 0 40 -20,-0.3 5,-2.1 -19,-0.2 3,-2.0 -0.425 50.7-118.6 -57.0 134.6 41.0 14.7 20.6 66 70 A G G > >S+ 0 0 4 1,-0.3 5,-1.8 4,-0.3 3,-1.1 0.855 111.7 45.4 -48.5 -51.5 40.8 18.3 21.7 67 71 A P G 3 5S+ 0 0 67 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.544 110.0 57.3 -71.2 -8.0 38.0 17.8 24.3 68 72 A L G < 5S- 0 0 138 -3,-2.0 -2,-0.2 0, 0.0 -3,-0.2 0.039 139.3 -63.9-110.8 27.1 39.7 14.7 25.7 69 73 A G T <>5S+ 0 0 25 -3,-1.1 4,-2.2 -5,-0.1 3,-0.2 0.215 106.0 110.5 118.0 -10.7 43.1 16.4 26.6 70 74 A G H > S+ 0 0 154 -6,-0.3 4,-2.5 -3,-0.2 -2,-0.2 0.852 109.7 56.7 -76.6 -34.0 46.1 20.8 27.2 73 77 A Q H X S+ 0 0 67 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.935 111.1 43.9 -57.2 -46.8 48.8 18.8 25.3 74 78 A I H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.907 112.3 51.7 -70.4 -40.8 49.1 21.6 22.8 75 79 A G H X S+ 0 0 12 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.893 111.1 48.3 -56.5 -44.2 49.1 24.3 25.6 76 80 A A H X S+ 0 0 41 -4,-2.5 4,-1.3 2,-0.2 -2,-0.2 0.901 109.8 53.0 -61.4 -43.3 51.9 22.4 27.4 77 81 A M H <>S+ 0 0 24 -4,-2.3 5,-2.3 2,-0.2 6,-0.9 0.894 107.1 51.6 -61.0 -43.0 53.7 22.2 24.0 78 82 A I H ><5S+ 0 0 3 -4,-2.5 3,-1.8 4,-0.2 -2,-0.2 0.954 110.3 49.1 -54.4 -50.4 53.4 26.0 23.6 79 83 A A H 3<5S+ 0 0 36 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.715 113.5 46.8 -66.2 -19.0 54.9 26.5 27.1 80 84 A E T 3<5S- 0 0 114 -4,-1.3 -1,-0.3 -3,-0.3 -2,-0.2 0.262 116.5-113.1-101.0 6.6 57.8 24.1 26.3 81 85 A G T < 5S+ 0 0 52 -3,-1.8 -3,-0.2 2,-0.2 -2,-0.1 0.557 84.7 120.1 75.2 6.5 58.5 25.8 22.9 82 86 A K S - 0 0 76 1,-0.1 3,-1.1 2,-0.0 -5,-0.1 -0.282 28.0-111.6 -61.1 153.5 29.1 22.6 20.3 97 101 A A T 3 S+ 0 0 116 1,-0.2 -1,-0.1 0, 0.0 0, 0.0 0.849 119.9 39.5 -52.4 -35.7 28.9 21.9 24.1 98 102 A H T 3 S+ 0 0 97 2,-0.0 -1,-0.2 3,-0.0 3,-0.1 0.413 81.7 133.6 -98.7 -2.5 32.3 20.1 23.9 99 103 A D S < S- 0 0 21 -3,-1.1 3,-0.1 1,-0.1 -80,-0.1 -0.298 71.0 -89.7 -60.7 134.9 34.0 22.5 21.4 100 104 A V - 0 0 13 1,-0.1 2,-0.3 -82,-0.1 -1,-0.1 -0.152 42.4-105.8 -53.3 133.9 37.6 23.3 22.6 101 105 A D > - 0 0 82 1,-0.2 4,-0.7 -3,-0.1 -1,-0.1 -0.476 27.0-163.4 -62.7 118.0 37.9 26.3 24.9 102 106 A V H > S+ 0 0 15 -2,-0.3 4,-2.8 1,-0.2 5,-0.3 0.884 78.9 65.4 -71.0 -39.4 39.5 29.2 22.9 103 107 A K H > S+ 0 0 60 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.878 99.0 46.2 -51.1 -58.6 40.5 31.3 26.0 104 108 A A H > S+ 0 0 55 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.842 115.6 47.9 -58.5 -38.4 43.1 29.0 27.7 105 109 A L H X S+ 0 0 5 -4,-0.7 4,-2.1 2,-0.2 -2,-0.2 0.942 113.5 44.6 -70.9 -49.9 44.9 28.4 24.4 106 110 A I H X S+ 0 0 7 -4,-2.8 4,-1.1 1,-0.2 -2,-0.2 0.875 112.5 56.5 -62.0 -32.5 45.0 32.0 23.4 107 111 A R H >X S+ 0 0 100 -4,-2.7 4,-2.6 -5,-0.3 3,-0.5 0.935 108.7 42.6 -62.8 -47.7 46.2 32.9 26.9 108 112 A I H 3X S+ 0 0 27 -4,-1.9 4,-1.9 1,-0.3 -1,-0.2 0.872 112.5 55.4 -74.8 -29.7 49.2 30.5 27.0 109 113 A A H 3<>S+ 0 0 0 -4,-2.1 5,-2.2 2,-0.2 -1,-0.3 0.747 109.7 47.2 -63.9 -29.5 50.0 31.7 23.4 110 114 A T H X<5S+ 0 0 5 -4,-1.1 3,-1.2 -3,-0.5 -2,-0.2 0.895 106.3 56.3 -81.9 -43.5 50.0 35.3 24.7 111 115 A V H 3<5S+ 0 0 18 -4,-2.6 30,-0.3 1,-0.3 32,-0.2 0.929 118.9 34.4 -45.5 -48.2 52.2 34.4 27.8 112 116 A Y T 3<5S- 0 0 83 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.371 107.4-132.5 -94.7 5.4 54.8 33.0 25.3 113 117 A N T < 5 + 0 0 12 -3,-1.2 -3,-0.2 1,-0.2 -4,-0.1 0.904 45.9 157.6 40.6 66.3 54.0 35.6 22.6 114 118 A I < - 0 0 6 -5,-2.2 165,-0.4 164,-0.1 2,-0.2 -0.716 51.4 -85.7-108.3 159.9 53.7 33.4 19.6 115 119 A P - 0 0 0 0, 0.0 -29,-2.4 0, 0.0 2,-0.4 -0.514 49.6-171.2 -62.0 131.3 51.9 34.2 16.3 116 120 A V E -e 86 0B 1 -2,-0.2 2,-0.6 -31,-0.2 159,-0.3 -0.993 17.2-164.5-128.6 125.3 48.2 33.3 16.6 117 121 A A E +e 87 0B 0 -31,-3.3 -29,-2.8 -2,-0.4 157,-0.1 -0.941 20.8 159.1-102.2 112.9 45.5 33.1 13.9 118 122 A I S S+ 0 0 1 -2,-0.6 -28,-0.4 155,-0.3 2,-0.3 0.325 70.4 52.0-111.0 6.3 41.9 33.0 15.4 119 123 A T S > S- 0 0 1 154,-0.2 4,-1.7 -30,-0.1 154,-0.1 -0.955 85.2-126.7-128.5 147.7 40.3 34.3 12.1 120 124 A R H > S+ 0 0 16 -2,-0.3 4,-1.4 2,-0.2 5,-0.1 0.877 112.7 55.2 -59.4 -38.8 40.9 32.8 8.7 121 125 A S H > S+ 0 0 0 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.889 104.4 54.1 -62.0 -37.9 41.8 36.2 7.3 122 126 A T H > S+ 0 0 0 149,-0.3 4,-2.7 1,-0.2 -1,-0.2 0.925 105.7 53.9 -59.1 -44.4 44.5 36.5 10.1 123 127 A A H X S+ 0 0 0 -4,-1.7 4,-2.4 1,-0.2 -1,-0.2 0.851 105.3 53.5 -59.4 -31.8 45.9 33.1 8.8 124 128 A D H X S+ 0 0 40 -4,-1.4 4,-1.0 2,-0.2 -1,-0.2 0.871 110.7 46.0 -73.8 -37.6 46.2 34.5 5.3 125 129 A F H X S+ 0 0 0 -4,-1.8 4,-0.7 2,-0.2 -2,-0.2 0.904 113.7 50.3 -65.3 -44.0 48.2 37.4 6.6 126 130 A L H >< S+ 0 0 3 -4,-2.7 3,-1.2 1,-0.2 6,-0.3 0.946 110.1 47.5 -56.7 -50.7 50.4 35.1 8.7 127 131 A I H 3< S+ 0 0 19 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.717 113.6 48.0 -72.5 -22.4 51.2 32.7 6.0 128 132 A S H 3< S+ 0 0 43 -4,-1.0 -1,-0.3 -3,-0.2 -2,-0.2 0.471 84.8 109.8 -96.3 -2.9 52.1 35.4 3.5 129 133 A S S XX S- 0 0 5 -3,-1.2 3,-1.7 -4,-0.7 4,-0.5 -0.525 73.3-132.1 -68.1 138.5 54.4 37.4 6.0 130 134 A P G >4 S+ 0 0 68 0, 0.0 3,-0.6 0, 0.0 4,-0.3 0.779 107.9 68.1 -56.8 -26.9 58.1 37.1 5.0 131 135 A L G >4 S+ 0 0 38 1,-0.2 3,-0.5 2,-0.2 151,-0.1 0.705 83.8 72.5 -65.6 -22.2 58.6 36.2 8.8 132 136 A M G <4 S+ 0 0 4 -3,-1.7 -1,-0.2 -6,-0.3 -120,-0.2 0.938 111.0 26.9 -57.4 -46.3 56.8 32.9 8.2 133 137 A N G << S+ 0 0 63 -3,-0.6 2,-0.3 -4,-0.5 -1,-0.2 0.244 119.8 65.2-102.8 11.8 59.8 31.5 6.3 134 138 A D S < S- 0 0 85 -3,-0.5 2,-0.1 -4,-0.3 -126,-0.0 -0.818 88.2 -94.0-128.2 165.2 62.6 33.5 7.9 135 139 A V - 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