==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-MAY-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 28-JAN-13 4IXT . COMPND 2 MOLECULE: HALOHYDRIN DEHALOGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: RHIZOBIUM RADIOBACTER; . AUTHOR R.J.FLOOR,M.SCHALLMEY,B.HAUER,M.BREUER,P.A JEKEL,H.J.WIJMA, . 494 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21386.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 371 75.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 63 12.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 36 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 60 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 176 35.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 15 3.0 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 0 5 3 4 0 0 0 1 1 0 0 0 2 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 1 3 6 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 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 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 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 77 0, 0.0 25,-2.6 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 123.3 96.5 29.7 0.9 2 3 A T E -a 26 0A 8 23,-0.2 71,-2.3 69,-0.1 72,-2.2 -0.948 360.0-165.1-112.0 131.0 93.1 29.0 -0.7 3 4 A A E -ab 27 74A 0 23,-3.0 25,-2.6 -2,-0.4 2,-0.5 -0.885 11.5-153.5-114.8 142.5 89.9 29.4 1.3 4 5 A I E -ab 28 75A 0 70,-2.7 72,-3.1 -2,-0.4 2,-0.5 -0.984 12.5-176.4-108.4 124.5 86.3 28.3 0.8 5 6 A V E -ab 29 76A 0 23,-2.1 25,-2.7 -2,-0.5 3,-0.3 -0.989 14.4-150.2-113.7 127.0 83.4 30.3 2.3 6 7 A T S S+ 0 0 4 70,-1.6 25,-0.1 -2,-0.5 4,-0.1 -0.513 70.5 13.2 -96.0 164.3 79.9 29.0 1.9 7 8 A N S > S- 0 0 21 -2,-0.2 3,-2.1 1,-0.1 6,-0.3 0.861 75.6-178.4 37.0 58.8 76.6 30.8 1.7 8 9 A V T 3 + 0 0 0 22,-2.7 9,-0.1 -3,-0.3 23,-0.1 0.628 68.2 58.1 -71.6 -15.4 78.5 34.0 1.2 9 10 A K T 3 S+ 0 0 74 21,-0.2 -1,-0.3 4,-0.2 2,-0.3 0.642 104.4 60.8 -84.3 -10.9 75.6 36.4 1.0 10 11 A H S X S- 0 0 44 -3,-2.1 3,-2.7 68,-0.1 2,-0.1 -0.721 101.3 -20.5-120.1 155.8 74.3 35.5 4.4 11 12 A F T 3 S- 0 0 14 173,-1.5 4,-0.2 1,-0.3 3,-0.2 -0.213 129.4 -8.5 64.7-113.0 75.1 35.4 8.1 12 13 A G T 3> S+ 0 0 0 1,-0.1 4,-1.7 -2,-0.1 -1,-0.3 0.092 106.6 107.4-104.1 18.3 79.0 35.6 8.4 13 14 A G H <> S+ 0 0 0 -3,-2.7 4,-2.8 -6,-0.3 5,-0.2 0.953 80.4 36.5 -64.6 -50.6 79.6 35.1 4.8 14 15 A M H > S+ 0 0 33 2,-0.2 4,-2.6 1,-0.2 5,-0.4 0.897 114.9 53.6 -80.0 -44.3 80.8 38.6 3.7 15 16 A G H > S+ 0 0 7 -4,-0.2 4,-1.5 2,-0.2 5,-0.3 0.922 114.7 44.8 -48.0 -48.4 82.7 39.4 6.9 16 17 A S H X S+ 0 0 0 -4,-1.7 4,-2.4 2,-0.2 5,-0.2 0.966 117.2 41.6 -63.3 -54.7 84.6 36.1 6.4 17 18 A A H X S+ 0 0 0 -4,-2.8 4,-2.0 1,-0.2 5,-0.2 0.943 116.2 47.1 -61.4 -48.3 85.3 36.5 2.6 18 19 A L H X S+ 0 0 59 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.912 116.9 42.5 -65.8 -42.1 86.1 40.1 2.6 19 20 A R H X S+ 0 0 53 -4,-1.5 4,-1.6 -5,-0.4 -1,-0.2 0.877 111.3 53.7 -75.7 -36.4 88.5 40.0 5.6 20 21 A L H X>S+ 0 0 0 -4,-2.4 5,-2.0 -5,-0.3 4,-0.6 0.917 112.6 47.2 -57.8 -39.3 90.2 36.7 4.5 21 22 A S H ><5S+ 0 0 21 -4,-2.0 3,-0.9 -5,-0.2 -2,-0.2 0.888 105.2 56.1 -78.4 -37.7 90.9 38.4 1.2 22 23 A E H 3<5S+ 0 0 150 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.882 107.2 53.6 -52.9 -35.8 92.2 41.6 2.7 23 24 A A H 3<5S- 0 0 56 -4,-1.6 -1,-0.2 -5,-0.1 -2,-0.2 0.660 126.6-100.7 -79.5 -21.0 94.7 39.4 4.5 24 25 A G T <<5S+ 0 0 60 -3,-0.9 -3,-0.2 -4,-0.6 -2,-0.1 0.464 73.4 136.8 115.5 4.3 95.8 37.7 1.2 25 26 A H < - 0 0 26 -5,-2.0 2,-0.6 -23,-0.1 -1,-0.3 -0.410 59.7-117.8 -64.1 155.0 94.1 34.4 1.0 26 27 A T E -a 2 0A 63 -25,-2.6 -23,-3.0 -2,-0.1 2,-0.7 -0.915 37.4-152.3 -92.1 119.3 92.6 33.4 -2.3 27 28 A V E -a 3 0A 1 -2,-0.6 24,-2.6 22,-0.4 2,-0.4 -0.824 17.6-171.3-111.9 106.8 88.9 33.2 -1.6 28 29 A A E -ac 4 51A 0 -25,-2.6 -23,-2.1 -2,-0.7 2,-0.4 -0.727 19.0-153.3 -86.5 132.4 86.5 31.0 -3.5 29 30 A C E -ac 5 52A 0 22,-2.9 24,-2.5 -2,-0.4 2,-0.4 -0.911 9.4-159.7-119.3 134.7 82.8 31.6 -2.5 30 31 A H + 0 0 15 -25,-2.7 -22,-2.7 -2,-0.4 2,-0.3 -0.839 18.4 161.2-105.6 139.4 79.7 29.4 -2.6 31 32 A D > - 0 0 4 22,-0.4 3,-0.6 -2,-0.4 4,-0.1 -0.957 43.7-127.8-151.7 157.2 76.1 30.6 -2.6 32 33 A E G > S+ 0 0 114 -2,-0.3 3,-2.0 1,-0.2 4,-0.2 0.905 110.5 59.6 -69.7 -37.6 72.8 29.1 -3.5 33 34 A S G > S+ 0 0 23 1,-0.3 3,-2.0 2,-0.2 6,-0.3 0.658 84.7 79.8 -63.6 -15.7 72.0 32.0 -5.8 34 35 A F G < + 0 0 1 -3,-0.6 -1,-0.3 1,-0.3 -2,-0.2 0.547 67.1 87.2 -76.0 -7.3 75.1 31.1 -7.8 35 36 A K G < S+ 0 0 116 -3,-2.0 2,-0.6 1,-0.1 -1,-0.3 0.853 85.6 65.9 -40.1 -39.1 73.0 28.4 -9.4 36 37 A H S X> S- 0 0 114 -3,-2.0 4,-2.5 -4,-0.2 3,-1.2 -0.829 75.9-151.2-107.3 119.0 72.2 31.4 -11.7 37 38 A Q H 3> S+ 0 0 138 -2,-0.6 4,-2.4 1,-0.3 5,-0.3 0.820 97.6 60.6 -58.5 -33.5 74.9 32.8 -14.0 38 39 A D H 3> S+ 0 0 140 1,-0.2 4,-1.0 2,-0.2 -1,-0.3 0.877 111.0 40.6 -56.2 -42.2 73.2 36.2 -13.9 39 40 A E H <> S+ 0 0 83 -3,-1.2 4,-1.9 -6,-0.3 -2,-0.2 0.912 112.9 55.5 -74.4 -44.5 73.7 36.3 -10.1 40 41 A L H X S+ 0 0 30 -4,-2.5 4,-2.2 -7,-0.3 -2,-0.2 0.921 110.1 43.4 -50.7 -51.4 77.2 34.8 -10.2 41 42 A E H X S+ 0 0 106 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.792 108.5 57.3 -81.8 -23.7 78.6 37.4 -12.5 42 43 A A H X S+ 0 0 48 -4,-1.0 4,-2.4 -5,-0.3 -1,-0.2 0.871 109.9 46.5 -66.3 -39.0 77.0 40.3 -10.8 43 44 A F H X S+ 0 0 10 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.914 112.0 50.4 -65.7 -46.1 78.8 39.2 -7.6 44 45 A A H < S+ 0 0 30 -4,-2.2 -2,-0.2 2,-0.2 6,-0.2 0.945 114.4 44.6 -57.9 -49.8 82.1 38.7 -9.5 45 46 A E H < S+ 0 0 162 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.911 114.2 48.8 -57.4 -49.3 81.8 42.2 -10.9 46 47 A T H < S+ 0 0 84 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.846 126.9 26.7 -61.3 -33.0 80.7 43.7 -7.6 47 48 A Y >< + 0 0 75 -4,-2.4 3,-1.1 -5,-0.1 -1,-0.3 -0.732 65.7 174.4-135.5 83.8 83.7 42.0 -5.8 48 49 A P T 3 S+ 0 0 108 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.681 77.8 62.9 -71.3 -17.6 86.6 41.4 -8.2 49 50 A Q T 3 S+ 0 0 98 2,-0.0 -22,-0.4 -23,-0.0 2,-0.2 0.825 95.5 73.2 -70.9 -26.3 88.9 40.1 -5.4 50 51 A L S < S- 0 0 6 -3,-1.1 -22,-0.2 -7,-0.2 -3,-0.1 -0.494 73.2-141.2 -94.7 150.8 86.5 37.2 -4.7 51 52 A I E -c 28 0A 62 -24,-2.6 -22,-2.9 -2,-0.2 2,-0.2 -0.903 16.7-156.3-114.8 102.5 86.0 34.0 -6.8 52 53 A P E -c 29 0A 19 0, 0.0 2,-0.3 0, 0.0 -22,-0.2 -0.501 6.8-156.1 -73.4 143.2 82.4 32.9 -7.0 53 54 A M - 0 0 20 -24,-2.5 -22,-0.4 -2,-0.2 -19,-0.1 -0.839 15.6-150.5-115.4 157.8 81.7 29.2 -7.8 54 55 A S + 0 0 59 -2,-0.3 -1,-0.1 -24,-0.1 7,-0.1 0.770 63.3 109.7 -94.5 -30.7 78.6 27.7 -9.3 55 56 A E - 0 0 43 1,-0.1 -24,-0.3 5,-0.1 -2,-0.1 -0.065 42.2-177.1 -50.6 143.3 78.9 24.3 -7.7 56 57 A Q + 0 0 33 -26,-0.1 -1,-0.1 -21,-0.0 -21,-0.0 0.726 54.6 71.7-113.9 -37.3 76.3 23.6 -5.0 57 58 A E S > S- 0 0 114 1,-0.1 4,-3.5 53,-0.0 5,-0.2 -0.619 81.5-117.2 -94.7 150.7 77.1 20.2 -3.4 58 59 A P H > S+ 0 0 14 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.832 111.1 39.9 -55.4 -50.5 80.0 19.5 -1.1 59 60 A V H > S+ 0 0 82 2,-0.2 4,-2.2 1,-0.2 5,-0.3 0.981 118.6 49.6 -66.6 -53.4 82.0 16.9 -3.2 60 61 A E H > S+ 0 0 101 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.936 113.7 46.6 -35.9 -61.4 81.2 18.9 -6.4 61 62 A L H X S+ 0 0 2 -4,-3.5 4,-2.2 1,-0.2 5,-0.2 0.887 110.0 49.9 -63.6 -45.3 82.4 22.1 -4.7 62 63 A I H X S+ 0 0 4 -4,-2.4 4,-2.9 -5,-0.2 -1,-0.2 0.944 112.1 48.4 -59.6 -47.8 85.6 20.9 -3.2 63 64 A E H X S+ 0 0 130 -4,-2.2 4,-2.9 1,-0.2 5,-0.2 0.882 110.4 50.2 -64.6 -40.8 86.8 19.3 -6.4 64 65 A A H X S+ 0 0 13 -4,-2.2 4,-3.1 -5,-0.3 5,-0.2 0.932 113.7 45.8 -60.3 -44.7 86.1 22.4 -8.6 65 66 A V H X S+ 0 0 0 -4,-2.2 4,-2.1 -5,-0.2 6,-0.4 0.932 112.6 50.9 -66.5 -44.8 88.0 24.6 -6.2 66 67 A T H X S+ 0 0 39 -4,-2.9 4,-2.9 -5,-0.2 -2,-0.2 0.950 115.3 42.1 -55.8 -49.6 90.8 22.2 -6.0 67 68 A S H < S+ 0 0 102 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.948 119.1 43.3 -66.3 -49.2 91.1 22.0 -9.8 68 69 A A H < S+ 0 0 65 -4,-3.1 -1,-0.2 -5,-0.2 -2,-0.2 0.769 133.2 18.4 -62.0 -29.5 90.7 25.7 -10.4 69 70 A L H < S- 0 0 50 -4,-2.1 -2,-0.2 -5,-0.2 -3,-0.2 0.391 102.0-110.4-138.2 -4.8 92.9 26.8 -7.6 70 71 A G S < S- 0 0 49 -4,-2.9 2,-0.2 -5,-0.3 -4,-0.2 0.067 77.0 -13.8 106.4 -25.3 95.2 24.0 -6.5 71 72 A H - 0 0 76 -6,-0.4 2,-0.6 -9,-0.1 -69,-0.1 -0.824 63.7-103.3 163.5 157.6 94.1 22.9 -3.1 72 73 A V + 0 0 0 -2,-0.2 -69,-0.2 1,-0.2 3,-0.1 -0.914 34.5 163.8-110.0 117.4 91.9 23.9 -0.1 73 74 A D + 0 0 22 -71,-2.3 52,-2.5 -2,-0.6 2,-0.4 0.821 68.8 35.6 -96.7 -40.0 93.7 25.2 3.0 74 75 A I E -bd 3 125A 1 -72,-2.2 -70,-2.7 50,-0.2 2,-0.5 -0.984 61.6-167.4-126.5 121.4 90.9 26.9 4.9 75 76 A L E -bd 4 126A 0 50,-2.4 52,-2.9 -2,-0.4 2,-0.6 -0.962 2.9-175.1-106.9 115.9 87.3 25.7 5.1 76 77 A V E -bd 5 127A 0 -72,-3.1 -70,-1.6 -2,-0.5 2,-1.0 -0.928 8.4-163.5-110.0 98.8 84.7 28.1 6.5 77 78 A S E - d 0 128A 0 50,-3.0 52,-2.9 -2,-0.6 2,-0.9 -0.791 8.0-176.0 -86.2 100.7 81.4 26.3 6.7 78 79 A N E - d 0 129A 0 -2,-1.0 2,-0.2 50,-0.2 -68,-0.1 -0.784 14.3-167.3-104.6 82.5 78.9 29.2 7.1 79 80 A D + 0 0 3 -2,-0.9 2,-0.3 50,-0.9 24,-0.1 -0.556 9.6 179.9 -92.6 140.3 75.7 27.3 7.6 80 81 A I + 0 0 23 22,-0.3 -73,-0.0 -2,-0.2 104,-0.0 -0.922 13.9 157.7-132.1 152.3 72.1 28.7 7.5 81 82 A A - 0 0 9 -2,-0.3 2,-0.2 22,-0.1 18,-0.0 -0.886 47.8 -97.8-160.1 151.8 68.5 27.7 7.8 82 83 A P - 0 0 80 0, 0.0 2,-0.3 0, 0.0 102,-0.1 -0.583 40.2-124.0 -69.9 137.1 65.4 29.7 8.7 83 84 A V - 0 0 43 -2,-0.2 2,-0.6 2,-0.0 58,-0.1 -0.680 18.8-154.7 -80.6 137.9 64.5 29.4 12.4 84 85 A E - 0 0 66 -2,-0.3 2,-2.0 2,-0.1 59,-0.2 -0.912 3.7-153.5-120.7 103.0 60.9 28.2 13.0 85 86 A W + 0 0 134 -2,-0.6 56,-0.1 56,-0.1 -2,-0.0 -0.115 43.1 141.3 -76.2 49.7 59.6 29.3 16.4 86 87 A R - 0 0 89 -2,-2.0 56,-0.4 1,-0.1 2,-0.2 -0.457 58.2-106.0 -87.6 152.8 57.1 26.5 17.0 87 88 A P > - 0 0 26 0, 0.0 3,-1.9 0, 0.0 4,-0.3 -0.527 42.5-109.5 -63.9 149.0 56.1 24.6 20.1 88 89 A I G > S+ 0 0 0 1,-0.3 3,-1.2 2,-0.2 277,-0.1 0.766 116.2 56.3 -51.7 -37.6 57.7 21.1 20.0 89 90 A D G 3 S+ 0 0 41 1,-0.3 -1,-0.3 276,-0.1 277,-0.1 0.708 99.7 60.7 -82.3 -9.6 54.3 19.3 19.5 90 91 A K G < S+ 0 0 137 -3,-1.9 2,-0.3 2,-0.1 -1,-0.3 0.384 89.0 88.7 -95.7 2.5 53.6 21.4 16.4 91 92 A Y S < S- 0 0 8 -3,-1.2 2,-0.3 -4,-0.3 3,-0.0 -0.680 71.7-133.3 -84.3 156.3 56.7 20.2 14.4 92 93 A A >> - 0 0 49 -2,-0.3 3,-2.0 1,-0.1 4,-0.8 -0.815 26.7-115.8 -95.8 152.6 56.8 17.1 12.2 93 94 A V H >> S+ 0 0 40 -2,-0.3 4,-1.8 1,-0.3 3,-1.2 0.919 117.0 62.2 -52.9 -40.8 59.8 14.8 12.7 94 95 A E H 3> S+ 0 0 97 1,-0.3 4,-2.5 2,-0.2 -1,-0.3 0.747 93.1 63.6 -52.7 -32.1 60.8 15.7 9.1 95 96 A D H <> S+ 0 0 32 -3,-2.0 4,-1.5 2,-0.2 -1,-0.3 0.872 105.4 43.8 -65.2 -36.4 61.2 19.4 10.2 96 97 A Y H S+ 0 0 3 -4,-3.2 5,-2.3 1,-0.2 4,-1.9 0.878 109.0 55.4 -72.5 -32.4 69.8 18.8 11.0 101 102 A E H <>S+ 0 0 69 -4,-2.6 5,-1.2 -5,-0.2 -1,-0.2 0.911 113.5 39.6 -62.3 -42.8 70.5 18.3 7.4 102 103 A A H <5S+ 0 0 33 -4,-1.9 -22,-0.3 1,-0.2 -1,-0.2 0.707 127.2 30.8 -81.1 -26.0 71.2 22.0 6.8 103 104 A L H <5S+ 0 0 0 -4,-1.5 -2,-0.2 -5,-0.1 -1,-0.2 0.545 132.9 16.2-112.2 -14.6 73.1 22.8 10.1 104 105 A Q T X5S+ 0 0 0 -4,-1.9 4,-1.4 -5,-0.2 -3,-0.2 0.622 122.2 48.1-135.5 -48.4 74.9 19.6 11.1 105 106 A I H > S+ 0 0 0 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.876 113.4 53.0 -62.1 -32.8 79.5 20.9 7.8 108 109 A F H X S+ 0 0 0 -4,-1.4 4,-2.9 2,-0.2 -2,-0.2 0.924 108.5 50.6 -61.9 -42.5 80.3 17.2 8.3 109 110 A A H X S+ 0 0 11 -4,-2.5 4,-2.1 2,-0.2 -1,-0.2 0.915 111.6 46.5 -66.1 -40.0 80.0 16.6 4.6 110 111 A L H X S+ 0 0 4 -4,-2.4 4,-0.9 2,-0.2 -1,-0.2 0.928 114.3 47.5 -68.0 -40.1 82.4 19.5 3.7 111 112 A A H >X S+ 0 0 0 -4,-2.4 4,-1.4 -5,-0.3 3,-0.6 0.903 112.2 50.8 -68.3 -36.1 84.8 18.4 6.4 112 113 A N H 3< S+ 0 0 30 -4,-2.9 4,-0.5 1,-0.2 -1,-0.2 0.868 109.4 51.8 -61.7 -39.4 84.6 14.8 5.1 113 114 A A H 3< S+ 0 0 24 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.658 119.4 32.2 -71.2 -19.9 85.3 16.0 1.5 114 115 A V H S+ 0 0 53 -4,-0.5 4,-2.7 1,-0.2 -1,-0.2 0.943 108.9 46.7 -62.4 -42.5 92.2 13.6 3.3 117 118 A Q H > S+ 0 0 21 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.893 115.0 48.1 -61.5 -37.6 94.0 16.3 1.2 118 119 A M H X>S+ 0 0 0 -4,-1.5 5,-1.9 2,-0.2 4,-0.6 0.911 112.1 48.5 -70.1 -43.9 94.6 18.3 4.4 119 120 A K H ><5S+ 0 0 28 -4,-3.5 3,-1.2 3,-0.2 -2,-0.2 0.947 106.2 58.8 -58.1 -43.1 95.9 15.3 6.3 120 121 A R H 3<5S+ 0 0 193 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.879 114.1 34.9 -60.7 -40.8 98.2 14.4 3.5 121 122 A R H 3<5S- 0 0 73 -4,-1.5 -1,-0.3 2,-0.2 -2,-0.2 0.441 106.9-124.9 -94.5 4.7 100.1 17.7 3.6 122 123 A K T <<5S+ 0 0 100 -3,-1.2 2,-0.3 -4,-0.6 -3,-0.2 0.929 77.1 91.4 56.1 44.6 99.8 18.0 7.4 123 124 A S < + 0 0 42 -5,-1.9 -2,-0.2 -6,-0.1 2,-0.2 -0.915 37.6 102.5-166.9 152.1 98.2 21.4 7.1 124 125 A G - 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