==== 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 27-APR-05 1ZI6 . COMPND 2 MOLECULE: CARBOXYMETHYLENEBUTENOLIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS PUTIDA; . AUTHOR H.-K.KIM,J.-W.LIU,P.D.CARR,D.L.OLLIS . 233 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10472.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 169 72.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 30 12.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 10 4.3 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 . 1 0.4 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 . 15 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 15.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 69 29.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.9 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 0 0 0 0 0 0 0 1 2 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 1 1 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 PARALLEL BRIDGES PER LADDER . 1 1 0 1 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 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 0 0 1 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 1 A M 0 0 88 0, 0.0 2,-0.3 0, 0.0 18,-0.1 0.000 360.0 360.0 360.0 143.3 20.5 33.2 7.8 2 2 A L - 0 0 58 17,-0.1 2,-0.8 68,-0.1 17,-0.3 -0.865 360.0 -97.4-131.5 163.8 21.0 33.2 11.6 3 3 A T > - 0 0 48 15,-2.5 3,-1.9 -2,-0.3 15,-0.4 -0.788 49.9-119.1 -82.7 112.6 23.9 32.0 13.8 4 4 A E T 3 S+ 0 0 196 -2,-0.8 3,-0.1 1,-0.2 -1,-0.0 -0.215 92.5 21.8 -53.4 137.3 22.9 28.5 14.9 5 5 A G T 3 S+ 0 0 83 1,-0.3 2,-0.5 -3,-0.0 -1,-0.2 0.180 85.8 125.0 94.8 -19.3 22.6 28.1 18.6 6 6 A I < + 0 0 41 -3,-1.9 2,-0.4 12,-0.2 12,-0.3 -0.641 33.1 174.6 -84.6 128.8 22.0 31.7 19.5 7 7 A S - 0 0 78 -2,-0.5 2,-0.4 10,-0.2 10,-0.2 -0.999 10.2-173.5-135.4 130.6 18.8 32.2 21.5 8 8 A I E -A 16 0A 10 8,-2.5 8,-2.2 -2,-0.4 2,-0.5 -0.971 14.6-143.5-124.4 142.2 17.5 35.5 23.1 9 9 A Q E -A 15 0A 130 -2,-0.4 6,-0.2 6,-0.2 5,-0.1 -0.895 8.8-144.8-115.4 132.1 14.4 35.7 25.4 10 10 A S > - 0 0 8 4,-3.1 3,-2.4 -2,-0.5 89,-0.1 -0.379 34.8 -97.9 -86.5 166.7 12.1 38.6 25.4 11 11 A Y T 3 S+ 0 0 222 87,-0.3 -1,-0.1 1,-0.3 88,-0.0 0.885 123.1 54.8 -54.3 -40.1 10.4 39.9 28.5 12 12 A D T 3 S- 0 0 98 1,-0.1 -1,-0.3 83,-0.1 3,-0.1 0.418 122.5-102.0 -78.4 6.2 7.2 37.9 27.6 13 13 A G S < S+ 0 0 36 -3,-2.4 -2,-0.1 1,-0.3 -1,-0.1 0.148 77.1 136.0 99.4 -19.7 9.0 34.6 27.4 14 14 A H - 0 0 42 -5,-0.1 -4,-3.1 1,-0.0 -1,-0.3 -0.403 39.3-154.6 -61.5 137.1 9.2 34.4 23.6 15 15 A T E +A 9 0A 70 -6,-0.2 2,-0.3 -3,-0.1 -6,-0.2 -0.835 16.5 171.8-116.5 152.1 12.6 33.3 22.3 16 16 A F E -A 8 0A 8 -8,-2.2 -8,-2.5 -2,-0.3 2,-0.1 -0.984 25.7-115.6-155.3 158.6 14.2 34.0 18.9 17 17 A G - 0 0 14 -2,-0.3 45,-2.8 -10,-0.2 2,-0.3 -0.223 24.2-162.6 -87.6-176.9 17.5 33.6 17.1 18 18 A A E -B 61 0B 0 -15,-0.4 -15,-2.5 -12,-0.3 2,-0.5 -0.971 25.9-116.4-163.0 159.1 19.9 36.2 15.7 19 19 A L E -B 60 0B 18 41,-2.1 41,-3.3 -17,-0.3 2,-0.4 -0.932 41.9-166.7-100.2 123.9 22.8 36.6 13.2 20 20 A V E -B 59 0B 27 -2,-0.5 2,-0.5 39,-0.2 39,-0.2 -0.931 18.0-166.4-122.2 135.7 25.9 37.6 15.3 21 21 A G E -B 58 0B 12 37,-2.6 37,-2.3 -2,-0.4 -2,-0.0 -0.979 17.3-145.3-117.0 112.8 29.3 38.9 14.2 22 22 A S - 0 0 76 -2,-0.5 34,-0.1 35,-0.2 4,-0.0 -0.483 33.2 -96.9 -70.3 157.0 32.0 38.9 16.9 23 23 A P - 0 0 19 0, 0.0 34,-0.2 0, 0.0 3,-0.1 -0.288 17.9-121.9 -76.8 154.8 34.4 41.8 16.8 24 24 A A S S+ 0 0 80 28,-0.5 2,-0.3 32,-0.3 29,-0.1 0.865 103.2 12.0 -57.4 -39.5 37.8 41.8 15.1 25 25 A K S S- 0 0 160 2,-0.1 -1,-0.2 87,-0.1 87,-0.0 -0.996 97.2-101.6-138.4 137.4 39.4 42.7 18.5 26 26 A A S S+ 0 0 52 -2,-0.3 2,-0.1 -3,-0.1 87,-0.1 -0.761 87.0 49.0-109.6 156.7 37.6 42.7 21.9 27 27 A P S S+ 0 0 84 0, 0.0 86,-0.2 0, 0.0 206,-0.2 0.614 76.8 150.0 -74.7 167.0 36.3 44.5 23.9 28 28 A A E -c 113 0B 3 84,-2.3 86,-2.0 -2,-0.1 87,-0.4 -0.994 49.7 -97.7-161.7 152.4 34.1 46.4 21.5 29 29 A P E - 0 0 2 0, 0.0 28,-2.5 0, 0.0 2,-0.5 -0.475 41.6-130.8 -70.8 155.8 30.7 48.1 21.5 30 30 A V E -cd 117 57B 0 86,-2.0 88,-2.3 26,-0.2 2,-0.6 -0.928 12.2-153.6-114.8 130.8 27.9 46.0 20.1 31 31 A I E -cd 118 58B 0 26,-2.7 28,-2.6 -2,-0.5 2,-0.5 -0.920 4.3-152.6-104.0 123.9 25.4 47.2 17.5 32 32 A V E -cd 119 59B 0 86,-2.8 88,-2.3 -2,-0.6 2,-0.5 -0.780 17.1-150.5 -90.3 129.4 22.0 45.6 17.3 33 33 A I E -c 120 0B 0 26,-2.6 2,-0.6 -2,-0.5 88,-0.2 -0.917 0.6-148.0-107.6 125.3 20.7 45.9 13.7 34 34 A A E -c 121 0B 0 86,-2.5 88,-1.8 -2,-0.5 91,-0.2 -0.828 26.0-124.7 -96.9 121.3 16.9 46.1 13.1 35 35 A Q - 0 0 0 -2,-0.6 90,-1.4 26,-0.3 91,-0.1 0.004 9.3-119.5 -61.9 163.8 15.9 44.4 9.9 36 36 A E > - 0 0 2 3,-0.4 3,-0.7 88,-0.2 87,-0.1 0.018 56.6 -75.7 -79.9-157.6 14.0 45.8 6.8 37 37 A I T 3 S+ 0 0 8 1,-0.2 51,-0.2 -2,-0.0 50,-0.1 0.477 120.7 74.0 -87.5 11.0 10.7 44.0 5.9 38 38 A F T 3 S- 0 0 6 1,-0.3 35,-3.2 35,-0.1 -1,-0.2 0.274 96.9-119.0-109.5 11.0 12.5 41.0 4.4 39 39 A G B < -H 72 0C 0 -3,-0.7 2,-1.1 33,-0.2 -3,-0.4 -0.443 63.2 -30.1 83.9-159.5 13.8 39.1 7.5 40 40 A V S S+ 0 0 1 31,-1.7 2,-0.1 -2,-0.1 -1,-0.1 -0.766 93.1 137.1 -99.8 99.5 17.4 38.4 8.3 41 41 A N > - 0 0 8 -2,-1.1 4,-2.3 31,-0.1 3,-0.4 -0.297 65.6 -52.8-129.3-157.4 18.8 38.2 4.7 42 42 A A H > S+ 0 0 51 1,-0.3 4,-2.7 2,-0.2 5,-0.2 0.893 128.6 50.8 -57.5 -43.5 21.7 39.2 2.5 43 43 A F H > S+ 0 0 16 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.854 110.7 51.5 -65.1 -36.0 21.6 42.9 3.2 44 44 A M H > S+ 0 0 0 -3,-0.4 4,-2.6 2,-0.2 -1,-0.2 0.950 110.9 47.4 -63.4 -43.8 21.6 42.1 7.0 45 45 A R H X S+ 0 0 115 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.918 111.0 51.6 -61.9 -37.9 24.6 39.9 6.6 46 46 A E H X S+ 0 0 75 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.864 111.2 48.8 -66.9 -33.9 26.4 42.6 4.6 47 47 A T H X S+ 0 0 4 -4,-1.8 4,-2.5 -5,-0.2 -1,-0.2 0.883 109.4 49.9 -74.6 -40.2 25.6 45.1 7.3 48 48 A V H X S+ 0 0 11 -4,-2.6 4,-2.4 2,-0.2 5,-0.2 0.948 113.5 48.6 -58.6 -45.3 26.9 42.8 10.1 49 49 A S H X S+ 0 0 48 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.914 110.8 49.4 -59.7 -46.2 30.1 42.4 7.9 50 50 A W H X S+ 0 0 58 -4,-2.4 4,-1.2 1,-0.2 -1,-0.2 0.927 111.6 48.1 -58.9 -50.4 30.5 46.1 7.4 51 51 A L H <>S+ 0 0 0 -4,-2.5 5,-2.4 2,-0.2 -2,-0.2 0.869 110.0 51.1 -66.3 -33.7 30.1 46.9 11.1 52 52 A V H ><5S+ 0 0 29 -4,-2.4 3,-1.9 1,-0.2 -28,-0.5 0.935 108.4 53.0 -66.0 -37.9 32.6 44.2 12.2 53 53 A D H 3<5S+ 0 0 123 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.751 107.5 54.1 -66.3 -28.1 35.1 45.7 9.6 54 54 A Q T 3<5S- 0 0 86 -4,-1.2 -1,-0.3 -5,-0.1 -2,-0.2 0.315 130.2 -91.5 -87.5 3.0 34.5 49.1 11.3 55 55 A G T < 5S+ 0 0 31 -3,-1.9 2,-0.2 1,-0.3 -3,-0.2 0.649 87.7 109.4 103.9 15.5 35.4 47.9 14.7 56 56 A Y < - 0 0 2 -5,-2.4 -32,-0.3 -8,-0.1 -1,-0.3 -0.727 60.4-129.4-114.4 170.2 32.1 46.8 16.2 57 57 A A E - d 0 30B 0 -28,-2.5 -26,-2.7 -2,-0.2 2,-0.4 -0.768 33.7-154.6-102.8 161.5 30.4 43.5 17.2 58 58 A A E -Bd 21 31B 0 -37,-2.3 -37,-2.6 -2,-0.3 2,-0.4 -0.993 19.8-169.7-142.8 147.7 26.9 43.1 15.8 59 59 A V E -Bd 20 32B 0 -28,-2.6 -26,-2.6 -2,-0.4 -39,-0.2 -0.978 2.9-172.2-134.1 123.2 23.6 41.2 16.6 60 60 A C E -B 19 0B 0 -41,-3.3 -41,-2.1 -2,-0.4 -26,-0.1 -0.882 20.6-148.9-118.1 105.0 20.7 41.1 14.1 61 61 A P E -B 18 0B 0 0, 0.0 2,-1.7 0, 0.0 -26,-0.3 -0.271 21.4-112.0 -74.8 148.5 17.6 39.5 15.8 62 62 A D > + 0 0 3 -45,-2.8 3,-1.7 1,-0.2 4,-0.2 -0.605 41.0 175.5 -78.6 83.6 15.0 37.4 14.0 63 63 A L G > S+ 0 0 1 -2,-1.7 3,-0.6 1,-0.3 -1,-0.2 0.754 72.8 57.8 -68.3 -22.0 12.1 39.9 14.5 64 64 A Y G >> S+ 0 0 0 1,-0.2 4,-3.2 7,-0.1 3,-1.7 0.349 75.4 103.6 -87.5 11.2 9.6 37.9 12.4 65 65 A A G <4 + 0 0 9 -3,-1.7 -1,-0.2 1,-0.3 -2,-0.1 0.732 69.6 63.6 -68.3 -21.3 10.1 34.9 14.7 66 66 A R G <4 S+ 0 0 82 -3,-0.6 -1,-0.3 2,-0.2 -2,-0.1 0.704 118.8 28.3 -69.2 -19.8 6.7 35.5 16.4 67 67 A Q T <4 S- 0 0 69 -3,-1.7 -2,-0.2 1,-0.1 -1,-0.1 0.796 144.9 -13.6-104.4 -44.7 5.2 34.9 13.0 68 68 A A S >< S- 0 0 33 -4,-3.2 3,-0.8 3,-0.0 -2,-0.2 -0.645 70.9-131.7-165.4 98.7 7.5 32.5 11.3 69 69 A P T 3 S+ 0 0 105 0, 0.0 -4,-0.1 0, 0.0 -6,-0.0 -0.151 85.1 21.7 -56.4 143.5 11.1 31.9 12.5 70 70 A G T 3 S+ 0 0 47 1,-0.2 2,-0.3 -69,-0.0 -68,-0.1 0.715 73.6 167.8 78.1 20.0 14.0 32.0 10.0 71 71 A T < + 0 0 17 -3,-0.8 -31,-1.7 1,-0.0 2,-0.3 -0.520 2.0 165.1 -68.3 131.8 12.4 34.2 7.4 72 72 A A B -H 39 0C 46 -2,-0.3 2,-0.3 -33,-0.2 -33,-0.2 -0.767 14.7-172.7-150.4 99.0 15.0 35.4 4.8 73 73 A L - 0 0 15 -35,-3.2 -31,-0.2 -2,-0.3 -35,-0.1 -0.699 25.9-123.9-107.0 148.6 13.5 36.8 1.7 74 74 A D > - 0 0 76 -2,-0.3 3,-1.9 1,-0.1 6,-0.2 -0.757 15.4-152.0 -87.1 117.2 15.1 38.0 -1.6 75 75 A P T 3 S+ 0 0 15 0, 0.0 -1,-0.1 0, 0.0 6,-0.0 0.636 94.6 56.1 -65.6 -13.2 14.0 41.6 -2.2 76 76 A Q T 3 S+ 0 0 138 133,-0.1 2,-0.6 4,-0.0 -2,-0.0 0.574 86.8 87.1 -95.9 -6.3 14.3 41.0 -6.0 77 77 A D <> - 0 0 62 -3,-1.9 4,-2.3 1,-0.2 5,-0.2 -0.807 69.0-150.5 -94.2 121.8 11.9 38.0 -6.1 78 78 A E H > S+ 0 0 154 -2,-0.6 4,-2.2 1,-0.2 -1,-0.2 0.893 94.2 52.4 -62.2 -41.5 8.3 39.3 -6.6 79 79 A R H > S+ 0 0 126 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.880 111.3 46.8 -61.6 -41.0 6.7 36.4 -4.7 80 80 A Q H > S+ 0 0 53 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.820 108.4 55.6 -70.5 -31.9 8.9 36.9 -1.7 81 81 A R H X S+ 0 0 79 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.915 106.8 51.4 -64.7 -39.7 8.3 40.6 -1.7 82 82 A E H X S+ 0 0 130 -4,-2.2 4,-1.6 -5,-0.2 -2,-0.2 0.924 109.8 48.5 -59.8 -43.7 4.6 39.8 -1.5 83 83 A Q H X S+ 0 0 52 -4,-1.9 4,-2.4 1,-0.2 -1,-0.2 0.880 109.9 53.9 -62.8 -36.9 5.3 37.5 1.4 84 84 A A H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.894 106.7 50.2 -63.9 -42.1 7.4 40.4 3.0 85 85 A Y H X S+ 0 0 106 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.869 110.0 51.0 -64.4 -34.0 4.6 42.9 2.7 86 86 A K H X S+ 0 0 159 -4,-1.6 4,-1.9 -5,-0.2 -2,-0.2 0.925 111.4 47.7 -68.2 -43.4 2.1 40.4 4.4 87 87 A L H X S+ 0 0 11 -4,-2.4 4,-0.7 1,-0.2 -2,-0.2 0.912 111.9 49.6 -63.6 -40.8 4.5 39.8 7.2 88 88 A W H >< S+ 0 0 60 -4,-2.5 3,-1.0 1,-0.2 -1,-0.2 0.927 107.3 53.7 -64.6 -42.9 5.1 43.5 7.7 89 89 A Q H 3< S+ 0 0 165 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.869 115.1 42.2 -59.7 -34.5 1.3 44.3 7.7 90 90 A A H 3< S+ 0 0 70 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.473 87.4 124.0 -87.5 -5.5 0.9 41.7 10.5 91 91 A F << - 0 0 20 -3,-1.0 2,-0.9 -4,-0.7 3,-0.1 -0.340 59.5-136.9 -69.5 132.8 3.9 42.7 12.5 92 92 A D > - 0 0 94 1,-0.2 4,-2.0 -2,-0.1 5,-0.1 -0.779 16.8-166.9 -88.2 102.7 3.3 43.7 16.1 93 93 A M H > S+ 0 0 61 -2,-0.9 4,-2.1 1,-0.2 5,-0.2 0.906 84.4 51.7 -62.0 -41.1 5.4 46.8 16.6 94 94 A E H > S+ 0 0 168 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.910 111.0 47.8 -65.2 -37.1 5.3 46.9 20.3 95 95 A A H > S+ 0 0 15 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.854 109.4 55.0 -69.5 -32.6 6.4 43.3 20.5 96 96 A G H X S+ 0 0 1 -4,-2.0 4,-2.5 2,-0.2 -1,-0.2 0.873 106.5 50.3 -66.4 -39.8 9.2 44.1 18.1 97 97 A V H X S+ 0 0 11 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.915 111.1 49.8 -60.5 -42.0 10.4 46.9 20.4 98 98 A G H X S+ 0 0 21 -4,-2.0 4,-1.9 2,-0.2 -87,-0.3 0.904 109.9 49.9 -65.3 -37.3 10.3 44.4 23.2 99 99 A D H X S+ 0 0 0 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.921 111.0 49.2 -68.6 -37.7 12.4 41.9 21.2 100 100 A L H X S+ 0 0 0 -4,-2.5 4,-2.8 2,-0.2 -2,-0.2 0.910 107.1 56.1 -65.8 -38.1 14.9 44.6 20.3 101 101 A E H X S+ 0 0 37 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.910 109.2 47.0 -58.8 -41.4 15.1 45.5 24.1 102 102 A A H X S+ 0 0 6 -4,-1.9 4,-2.5 2,-0.2 -1,-0.2 0.862 111.2 49.7 -68.6 -37.4 16.0 41.9 24.8 103 103 A A H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.866 110.0 52.9 -66.9 -36.4 18.6 41.8 22.0 104 104 A I H X S+ 0 0 4 -4,-2.8 4,-1.3 2,-0.2 -2,-0.2 0.935 109.5 47.8 -65.4 -46.5 20.0 45.1 23.4 105 105 A R H >X S+ 0 0 141 -4,-2.3 4,-1.0 1,-0.2 3,-0.6 0.934 112.0 50.4 -59.6 -43.6 20.3 43.4 26.9 106 106 A Y H >< S+ 0 0 47 -4,-2.5 3,-1.0 1,-0.2 -2,-0.2 0.942 108.5 52.9 -57.2 -45.1 22.0 40.4 25.3 107 107 A A H >< S+ 0 0 0 -4,-2.4 3,-0.7 1,-0.2 8,-0.3 0.750 101.1 60.7 -62.6 -27.2 24.4 42.6 23.5 108 108 A R H << S+ 0 0 65 -4,-1.3 -1,-0.2 -3,-0.6 -2,-0.2 0.796 109.0 42.6 -72.1 -24.8 25.4 44.4 26.7 109 109 A H T << S+ 0 0 131 -4,-1.0 -1,-0.2 -3,-1.0 -2,-0.2 0.063 75.2 123.3-114.4 25.3 26.7 41.2 28.3 110 110 A Q S X S- 0 0 45 -3,-0.7 3,-1.0 1,-0.1 5,-0.1 -0.466 72.6-113.8 -81.4 159.8 28.6 39.3 25.7 111 111 A P T 3 S+ 0 0 126 0, 0.0 -1,-0.1 0, 0.0 -85,-0.0 0.898 118.8 50.1 -57.0 -38.3 32.2 38.4 26.7 112 112 A Y T 3 S+ 0 0 33 -85,-0.1 -84,-2.3 -86,-0.1 2,-0.1 0.538 88.8 114.2 -75.9 -11.6 33.4 40.7 23.8 113 113 A S E < -c 28 0B 19 -3,-1.0 4,-0.1 -86,-0.2 -5,-0.1 -0.318 53.2-160.5 -67.9 137.2 31.2 43.6 24.9 114 114 A N E - 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