==== 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 30-JUN-04 1VL1 . COMPND 2 MOLECULE: 6-PHOSPHOGLUCONOLACTONASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOTOGA MARITIMA; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 218 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10370.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 153 70.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 33 15.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 12 5.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.5 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 . 18 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 22 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 58 26.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.8 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 0 2 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 1 1 1 1 1 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 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 ANTIPARALLEL BRIDGES PER LADDER . 0 1 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 3 A K 0 0 177 0, 0.0 211,-1.9 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 175.3 -8.4 19.8 32.3 2 4 A T E -a 212 0A 62 209,-0.2 2,-0.4 205,-0.1 211,-0.2 -0.975 360.0-165.3-119.2 138.7 -5.1 21.5 32.3 3 5 A V E -a 213 0A 44 209,-2.6 211,-2.7 -2,-0.4 2,-0.4 -0.974 1.9-164.5-122.6 133.5 -2.0 20.3 34.2 4 6 A I E -a 214 0A 60 -2,-0.4 2,-0.5 209,-0.2 211,-0.2 -0.994 2.2-162.2-120.3 123.0 1.1 22.6 34.9 5 7 A Y E -a 215 0A 83 209,-2.9 211,-3.1 -2,-0.4 2,-0.6 -0.946 6.1-156.8-100.9 125.6 4.4 21.1 36.0 6 8 A L E -a 216 0A 132 -2,-0.5 2,-0.4 209,-0.2 211,-0.2 -0.932 16.4-169.2-106.4 116.3 6.8 23.6 37.6 7 9 A L E +a 217 0A 20 209,-3.2 211,-1.2 -2,-0.6 3,-0.1 -0.884 24.3 177.0-117.6 138.9 10.4 22.3 37.3 8 10 A E S S+ 0 0 168 -2,-0.4 2,-0.3 1,-0.3 -1,-0.1 0.531 73.9 12.3-110.3 -20.4 13.5 23.6 38.9 9 11 A D S S+ 0 0 146 1,-0.1 -1,-0.3 2,-0.0 5,-0.1 -0.978 114.3 30.2-162.8 148.4 16.1 21.0 37.7 10 12 A G > + 0 0 38 -2,-0.3 4,-2.5 -3,-0.1 5,-0.2 0.824 65.7 160.4 63.1 38.0 16.3 18.2 35.1 11 13 A Y H > + 0 0 9 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.931 68.4 42.3 -58.6 -59.2 13.9 19.9 32.7 12 14 A V H > S+ 0 0 32 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.915 115.0 49.8 -58.8 -47.7 14.7 18.1 29.5 13 15 A D H > S+ 0 0 121 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.910 112.2 48.8 -57.5 -41.2 15.0 14.7 31.1 14 16 A F H X S+ 0 0 60 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.943 113.0 46.5 -66.1 -48.4 11.6 15.1 32.9 15 17 A V H X S+ 0 0 0 -4,-2.7 4,-2.7 -5,-0.2 5,-0.3 0.926 111.5 50.8 -58.8 -45.8 9.9 16.2 29.7 16 18 A V H X S+ 0 0 10 -4,-2.7 4,-3.2 -5,-0.2 -1,-0.2 0.936 110.1 50.9 -60.8 -42.5 11.3 13.5 27.6 17 19 A E H X S+ 0 0 86 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.898 111.1 48.0 -61.2 -44.1 10.2 10.8 30.2 18 20 A K H X S+ 0 0 67 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.917 114.8 45.6 -63.1 -42.8 6.7 12.2 30.2 19 21 A I H X S+ 0 0 0 -4,-2.7 4,-2.9 1,-0.2 5,-0.3 0.935 111.6 52.2 -67.1 -45.1 6.5 12.3 26.4 20 22 A R H X S+ 0 0 74 -4,-3.2 4,-2.7 -5,-0.3 5,-0.2 0.937 110.0 48.9 -52.5 -50.8 8.0 8.8 26.2 21 23 A T H X S+ 0 0 44 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.904 113.3 46.7 -59.0 -42.9 5.4 7.4 28.6 22 24 A K H X S+ 0 0 32 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.906 112.5 48.6 -66.4 -45.1 2.5 9.0 26.7 23 25 A M H X S+ 0 0 4 -4,-2.9 4,-2.4 2,-0.2 -1,-0.2 0.893 111.5 50.4 -63.5 -42.3 3.8 7.9 23.3 24 26 A E H X S+ 0 0 69 -4,-2.7 4,-1.0 -5,-0.3 -2,-0.2 0.905 110.4 49.6 -64.2 -39.9 4.2 4.4 24.6 25 27 A K H >X S+ 0 0 87 -4,-2.2 4,-1.0 -5,-0.2 3,-0.8 0.935 109.6 51.9 -59.7 -44.1 0.7 4.4 26.1 26 28 A L H >X S+ 0 0 1 -4,-2.4 4,-1.9 1,-0.3 3,-1.2 0.941 107.6 52.9 -60.8 -44.2 -0.7 5.6 22.7 27 29 A L H 3< S+ 0 0 9 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.670 100.5 60.1 -69.0 -17.9 1.1 2.8 20.9 28 30 A E H << S+ 0 0 166 -4,-1.0 -1,-0.3 -3,-0.8 -2,-0.2 0.798 116.1 35.4 -71.4 -27.9 -0.4 0.1 23.2 29 31 A E H << S+ 0 0 141 -3,-1.2 2,-0.4 -4,-1.0 -2,-0.2 0.740 121.4 37.4 -94.3 -32.5 -3.8 1.3 22.0 30 32 A K < - 0 0 63 -4,-1.9 -1,-0.2 -5,-0.1 3,-0.1 -0.974 61.1-139.3-135.7 144.0 -3.2 2.2 18.3 31 33 A D S S+ 0 0 116 -2,-0.4 2,-0.4 1,-0.1 -1,-0.1 0.897 94.9 26.0 -68.3 -42.7 -1.2 0.9 15.4 32 34 A K - 0 0 97 -6,-0.1 2,-0.3 28,-0.0 28,-0.2 -0.951 69.6-160.7-124.3 142.4 -0.1 4.4 14.2 33 35 A I E -b 60 0A 0 26,-2.6 28,-3.1 -2,-0.4 2,-0.5 -0.923 9.3-143.7-122.1 155.3 0.2 7.6 16.1 34 36 A F E -b 61 0A 11 -2,-0.3 91,-2.6 26,-0.2 92,-1.7 -0.974 17.2-173.2-126.2 119.7 0.2 11.2 14.9 35 37 A V E -bc 62 126A 0 26,-3.3 28,-2.3 -2,-0.5 2,-0.4 -0.967 13.3-152.6-122.9 124.4 2.4 13.8 16.5 36 38 A V E -bc 63 127A 0 90,-2.7 92,-2.9 -2,-0.4 2,-0.4 -0.781 18.4-162.5 -92.9 132.1 2.6 17.6 15.8 37 39 A L E -bc 64 128A 2 26,-3.0 28,-2.5 -2,-0.4 29,-0.4 -0.988 9.3-155.1-122.5 129.1 5.9 19.3 16.5 38 40 A A - 0 0 5 90,-2.7 2,-0.0 -2,-0.4 29,-0.0 -0.611 16.6-139.2 -82.7 154.5 6.8 22.9 17.0 39 41 A G + 0 0 12 -2,-0.2 3,-0.2 27,-0.1 -1,-0.1 -0.044 48.2 97.5 -87.1-158.8 10.3 24.1 16.3 40 42 A G S > S- 0 0 32 1,-0.2 4,-1.7 2,-0.1 92,-0.0 -0.117 83.3 -60.3 99.2 173.1 12.2 26.7 18.5 41 43 A R T 4 S+ 0 0 238 1,-0.2 -1,-0.2 2,-0.2 -2,-0.0 0.727 124.0 45.6 -70.1 -27.1 14.7 26.8 21.2 42 44 A T T > S+ 0 0 21 -3,-0.2 4,-0.7 140,-0.2 -1,-0.2 0.925 113.2 42.7 -84.4 -48.3 12.8 24.8 23.8 43 45 A P H > S+ 0 0 3 0, 0.0 4,-2.6 0, 0.0 3,-0.4 0.832 100.8 71.4 -61.3 -35.4 11.4 21.8 22.0 44 46 A L H X S+ 0 0 26 -4,-1.7 4,-2.2 1,-0.3 5,-0.1 0.906 97.1 46.9 -57.6 -47.0 14.6 21.1 20.0 45 47 A P H > S+ 0 0 49 0, 0.0 4,-1.3 0, 0.0 -1,-0.3 0.836 112.1 53.3 -61.5 -34.0 16.7 19.7 22.9 46 48 A V H X S+ 0 0 0 -4,-0.7 4,-2.5 -3,-0.4 3,-0.4 0.943 109.1 47.5 -63.1 -45.1 13.8 17.6 23.9 47 49 A Y H X S+ 0 0 1 -4,-2.6 4,-2.7 1,-0.2 -1,-0.2 0.870 104.5 61.9 -61.3 -37.4 13.5 16.1 20.4 48 50 A E H < S+ 0 0 91 -4,-2.2 -1,-0.2 -5,-0.2 4,-0.2 0.891 111.0 38.1 -59.1 -40.0 17.3 15.5 20.4 49 51 A K H >< S+ 0 0 31 -4,-1.3 3,-1.5 -3,-0.4 4,-0.3 0.873 112.1 57.6 -79.2 -37.7 16.9 13.1 23.4 50 52 A L H >< S+ 0 0 10 -4,-2.5 3,-2.1 1,-0.3 -2,-0.2 0.881 97.6 63.6 -57.9 -36.7 13.6 11.6 22.1 51 53 A A T 3< S+ 0 0 10 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.2 0.698 98.0 56.6 -60.6 -20.9 15.4 10.6 19.0 52 54 A E T < S+ 0 0 113 -3,-1.5 -1,-0.3 -4,-0.2 -2,-0.2 0.508 85.5 101.9 -88.4 -7.7 17.6 8.3 21.1 53 55 A Q S < S- 0 0 57 -3,-2.1 2,-1.4 -4,-0.3 -3,-0.0 -0.454 81.6-113.9 -79.7 152.5 14.7 6.4 22.5 54 56 A K + 0 0 198 -2,-0.1 -1,-0.1 2,-0.1 -2,-0.1 -0.700 57.0 151.9 -88.6 87.0 13.8 2.9 21.2 55 57 A F - 0 0 17 -2,-1.4 2,-1.6 -4,-0.1 3,-0.1 -0.773 59.9-109.1-103.0 157.0 10.4 3.5 19.6 56 58 A P > - 0 0 40 0, 0.0 3,-2.4 0, 0.0 4,-0.2 -0.708 41.9-172.6 -81.6 86.4 8.9 1.7 16.7 57 59 A W G > S+ 0 0 28 -2,-1.6 3,-1.4 1,-0.3 35,-0.1 0.696 73.8 68.8 -62.2 -29.3 9.5 4.7 14.5 58 60 A N G 3 S+ 0 0 104 1,-0.2 -1,-0.3 34,-0.1 34,-0.1 0.640 99.1 52.6 -58.2 -17.7 7.6 3.3 11.5 59 61 A R G < S+ 0 0 66 -3,-2.4 -26,-2.6 -27,-0.1 2,-0.5 0.389 96.1 83.5 -97.8 1.2 4.4 3.6 13.6 60 62 A I E < -b 33 0A 0 -3,-1.4 2,-0.4 -4,-0.2 -26,-0.2 -0.927 59.1-165.8-114.9 122.4 5.0 7.2 14.4 61 63 A H E -b 34 0A 24 -28,-3.1 -26,-3.3 -2,-0.5 2,-0.4 -0.909 9.4-157.3-106.8 133.0 3.9 10.0 12.0 62 64 A F E -bd 35 97A 7 34,-2.9 36,-2.5 -2,-0.4 2,-0.4 -0.877 10.8-177.1-117.1 143.9 5.2 13.5 12.5 63 65 A F E -bd 36 98A 0 -28,-2.3 -26,-3.0 -2,-0.4 2,-0.2 -0.997 26.8-122.0-134.1 134.2 3.9 16.9 11.4 64 66 A L E -b 37 0A 0 34,-1.5 -26,-0.2 -2,-0.4 3,-0.1 -0.590 11.6-144.7 -69.7 144.7 5.3 20.4 11.8 65 67 A S S S- 0 0 0 -28,-2.5 103,-2.7 1,-0.2 74,-0.4 0.746 78.3 -19.6 -76.3 -27.2 3.0 22.9 13.6 66 68 A D E -G 167 0B 9 -29,-0.4 2,-0.4 101,-0.2 -1,-0.2 -0.977 60.1-143.4-169.3 166.8 4.3 25.7 11.4 67 69 A E E -G 166 0B 0 99,-2.9 99,-2.6 -2,-0.3 2,-0.3 -1.000 20.6-120.6-147.7 142.5 7.0 26.7 9.1 68 70 A R E -G 165 0B 46 -2,-0.4 2,-2.5 8,-0.3 97,-0.2 -0.661 36.9-116.5 -75.4 137.3 8.9 29.9 8.2 69 71 A Y S S+ 0 0 72 95,-2.7 -1,-0.1 -2,-0.3 96,-0.1 -0.429 80.1 104.0 -85.0 75.1 8.5 30.7 4.5 70 72 A V S S- 0 0 17 -2,-2.5 32,-0.2 93,-0.1 4,-0.1 -0.898 84.8 -62.9-142.8 165.0 12.2 30.4 3.7 71 73 A P > - 0 0 84 0, 0.0 3,-2.1 0, 0.0 5,-0.1 -0.207 46.9-120.7 -55.5 145.4 14.2 27.7 2.0 72 74 A L T 3 S+ 0 0 39 1,-0.3 8,-0.1 7,-0.1 5,-0.0 0.574 112.2 54.8 -68.9 -11.9 14.2 24.3 3.8 73 75 A D T 3 S+ 0 0 124 6,-0.1 -1,-0.3 7,-0.1 2,-0.2 0.220 83.5 113.6-101.0 12.3 18.0 24.4 4.2 74 76 A S S X S- 0 0 26 -3,-2.1 3,-2.1 1,-0.1 6,-0.2 -0.576 76.6-127.4 -77.9 144.5 17.9 27.8 5.9 75 77 A D T 3 S+ 0 0 110 1,-0.3 -1,-0.1 -2,-0.2 -3,-0.0 0.699 112.6 61.1 -65.9 -10.1 18.9 27.8 9.6 76 78 A Q T 3 S+ 0 0 74 -5,-0.1 2,-0.4 4,-0.0 -8,-0.3 0.372 82.5 105.1 -90.2 -0.1 15.5 29.6 10.1 77 79 A S <> - 0 0 0 -3,-2.1 4,-1.8 1,-0.2 5,-0.1 -0.720 62.6-151.7 -86.6 131.7 13.6 26.6 8.8 78 80 A N H > S+ 0 0 8 -2,-0.4 4,-2.9 1,-0.2 5,-0.3 0.874 98.8 57.1 -64.1 -40.5 11.8 24.5 11.3 79 81 A F H > S+ 0 0 34 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.936 106.3 47.9 -54.3 -51.4 12.2 21.5 9.0 80 82 A R H > S+ 0 0 82 -6,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.925 114.8 45.8 -56.8 -46.6 16.0 21.9 8.9 81 83 A N H X S+ 0 0 41 -4,-1.8 4,-1.4 2,-0.2 -2,-0.2 0.922 116.5 42.5 -69.8 -42.7 16.2 22.2 12.7 82 84 A I H X>S+ 0 0 0 -4,-2.9 4,-2.5 2,-0.2 5,-1.6 0.866 112.7 55.3 -71.9 -32.4 13.9 19.3 13.5 83 85 A N H <>S+ 0 0 53 -4,-3.1 5,-2.4 -5,-0.3 6,-0.3 0.934 106.9 51.9 -60.1 -41.3 15.6 17.3 10.8 84 86 A E H <5S+ 0 0 90 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.859 120.5 30.7 -62.8 -43.2 19.0 17.9 12.5 85 87 A V H <5S- 0 0 22 -4,-1.4 -34,-0.2 -5,-0.1 -1,-0.2 0.736 140.1 -0.3 -90.7 -24.5 17.9 16.7 15.9 86 88 A L T >X5S+ 0 0 4 -4,-2.5 4,-2.7 -5,-0.2 3,-1.2 0.703 119.1 53.4-132.4 -61.0 15.2 14.1 15.1 87 89 A F T 34 - 0 0 50 0, 0.0 3,-1.7 0, 0.0 4,-0.2 -0.205 23.2-124.5 -50.7 138.0 10.5 6.3 7.4 94 96 A S G > S+ 0 0 111 1,-0.3 3,-2.0 2,-0.2 -2,-0.0 0.902 110.4 60.3 -51.1 -43.3 10.5 9.2 5.0 95 97 A G G 3 S+ 0 0 58 1,-0.3 -1,-0.3 3,-0.0 -34,-0.0 0.625 98.1 60.4 -61.1 -17.4 6.7 8.7 4.4 96 98 A N G < S+ 0 0 17 -3,-1.7 -34,-2.9 -35,-0.1 2,-0.6 0.439 88.7 83.4 -90.4 -2.5 6.1 9.4 8.1 97 99 A V E < -d 62 0A 22 -3,-2.0 2,-0.4 -4,-0.2 -34,-0.2 -0.919 58.3-172.7-113.0 127.0 7.5 12.9 8.1 98 100 A H E +d 63 0A 20 -36,-2.5 -34,-1.5 -2,-0.6 2,-0.3 -0.941 13.8 153.9-125.5 127.8 5.3 15.7 7.0 99 101 A Y - 0 0 86 -2,-0.4 2,-0.5 -36,-0.2 -32,-0.1 -0.846 46.8 -82.2-145.1 173.5 6.4 19.3 6.5 100 102 A V - 0 0 0 -2,-0.3 2,-1.5 -34,-0.1 -21,-0.1 -0.730 33.7-139.0 -88.1 128.3 5.6 22.5 4.6 101 103 A D > - 0 0 31 -2,-0.5 3,-1.7 8,-0.3 11,-0.1 -0.641 23.0-179.6 -89.9 86.5 7.0 22.6 1.0 102 104 A T T 3 + 0 0 13 -2,-1.5 -1,-0.2 1,-0.3 4,-0.1 0.503 68.5 80.0 -72.1 1.6 8.2 26.2 1.0 103 105 A S T 3 S+ 0 0 95 2,-0.1 -1,-0.3 6,-0.0 3,-0.1 0.710 85.2 75.4 -75.7 -20.2 9.5 25.8 -2.6 104 106 A L S < S- 0 0 51 -3,-1.7 5,-0.1 1,-0.1 6,-0.0 -0.546 106.2 -82.3 -84.1 157.6 5.8 26.3 -3.7 105 107 A P > - 0 0 82 0, 0.0 4,-2.5 0, 0.0 3,-0.4 -0.259 54.0-106.8 -56.1 144.8 4.0 29.7 -3.7 106 108 A I H > S+ 0 0 32 1,-0.3 4,-2.3 2,-0.2 5,-0.1 0.859 117.7 49.1 -56.4 -39.2 2.8 30.1 -0.1 107 109 A E H > S+ 0 0 97 1,-0.2 4,-2.3 2,-0.2 -1,-0.3 0.918 113.4 48.0 -63.4 -38.7 -0.9 29.5 -0.8 108 110 A K H > S+ 0 0 109 -3,-0.4 4,-2.7 2,-0.2 5,-0.2 0.870 108.2 54.5 -70.0 -38.9 -0.0 26.3 -2.6 109 111 A A H X S+ 0 0 0 -4,-2.5 4,-2.1 1,-0.2 -8,-0.3 0.932 110.5 48.0 -58.3 -42.4 2.4 25.2 0.1 110 112 A C H X S+ 0 0 6 -4,-2.3 4,-2.8 -5,-0.2 -2,-0.2 0.935 113.0 45.7 -60.9 -47.9 -0.6 25.6 2.6 111 113 A E H X S+ 0 0 78 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.877 112.1 51.5 -70.3 -38.8 -3.0 23.7 0.5 112 114 A K H X S+ 0 0 66 -4,-2.7 4,-1.9 2,-0.2 -1,-0.2 0.913 112.9 45.2 -60.5 -45.7 -0.6 20.9 -0.2 113 115 A Y H X S+ 0 0 3 -4,-2.1 4,-2.5 -5,-0.2 -2,-0.2 0.924 111.3 53.0 -69.3 -40.2 0.2 20.5 3.5 114 116 A E H X S+ 0 0 20 -4,-2.8 4,-2.5 1,-0.2 5,-0.2 0.944 109.6 48.8 -58.0 -47.7 -3.5 20.7 4.4 115 117 A R H X S+ 0 0 153 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.872 110.9 51.1 -57.1 -42.0 -4.2 17.8 1.9 116 118 A E H X S+ 0 0 62 -4,-1.9 4,-1.7 2,-0.2 -1,-0.2 0.908 110.1 48.2 -66.4 -44.6 -1.4 15.8 3.3 117 119 A I H X S+ 0 0 4 -4,-2.5 4,-2.6 2,-0.2 3,-0.3 0.958 111.7 49.6 -58.6 -49.2 -2.6 16.1 6.9 118 120 A R H < S+ 0 0 129 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.861 110.1 51.5 -57.5 -40.9 -6.2 15.2 5.9 119 121 A S H < S+ 0 0 105 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.865 112.7 46.0 -64.6 -34.7 -4.9 12.2 4.1 120 122 A A H < S- 0 0 27 -4,-1.7 2,-0.3 -3,-0.3 -2,-0.2 0.921 125.7 -25.6 -76.6 -45.2 -2.9 11.0 7.1 121 123 A T < - 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