==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 19-FEB-06 2CFC . COMPND 2 MOLECULE: 2-(R)-HYDROXYPROPYL-COM DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: XANTHOBACTER AUTOTROPHICUS; . AUTHOR A.M.KRISHNAKUMAR,B.P.NOCEK,D.D.CLARK,S.A.ENSIGN,J.W.PETERS . 1000 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 32948.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 785 78.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 141 14.1 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 . 1 0.1 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 . 73 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 131 13.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 374 37.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 28 2.8 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 1 0 0 4 0 2 6 8 0 0 4 0 4 0 0 0 4 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 1 4 8 8 4 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 . 1 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 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 0 178 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 134.1 46.8 -136.6 106.4 2 2 A S - 0 0 35 25,-0.1 25,-0.2 2,-0.0 2,-0.1 -0.832 360.0-162.9-151.0 103.0 44.1 -136.9 109.1 3 3 A R - 0 0 23 -2,-0.3 25,-3.0 19,-0.1 2,-0.6 -0.368 23.7-120.0 -80.1 162.6 41.1 -134.6 109.3 4 4 A V E -a 28 0A 0 23,-0.2 79,-2.3 -2,-0.1 78,-1.7 -0.937 34.9-176.8-107.7 120.6 39.0 -134.4 112.5 5 5 A A E -ab 29 83A 0 23,-3.0 25,-2.6 -2,-0.6 2,-0.5 -0.954 18.2-153.4-121.7 134.8 35.3 -135.3 111.9 6 6 A I E -ab 30 84A 1 77,-2.8 79,-3.0 -2,-0.4 2,-0.5 -0.905 15.8-171.9-102.4 129.9 32.4 -135.2 114.3 7 7 A V E > -ab 31 85A 0 23,-2.9 25,-2.5 -2,-0.5 3,-0.6 -0.973 7.2-155.8-126.5 118.6 29.6 -137.7 113.4 8 8 A T E 3 S+a 32 0A 7 77,-2.2 79,-0.3 -2,-0.5 25,-0.2 -0.609 80.8 25.7 -91.2 153.7 26.3 -137.7 115.2 9 9 A G T > S+ 0 0 11 23,-1.2 3,-0.8 -2,-0.2 6,-0.4 0.838 82.3 152.5 64.0 33.1 24.1 -140.8 115.4 10 10 A A T < + 0 0 0 22,-1.9 23,-0.2 -3,-0.6 10,-0.1 0.523 44.6 76.3 -75.5 -10.1 27.4 -142.7 114.9 11 11 A S T 3 S+ 0 0 13 21,-0.3 2,-0.3 1,-0.1 -1,-0.2 0.619 103.3 7.5 -82.4 -8.3 26.6 -146.0 116.6 12 12 A S S X> S+ 0 0 57 -3,-0.8 4,-1.4 30,-0.0 3,-0.8 -0.972 103.1 3.2-158.4 173.1 24.4 -147.5 113.9 13 13 A G H 3> S- 0 0 18 -2,-0.3 4,-2.1 1,-0.2 3,-0.2 -0.097 121.1 -6.2 50.2-137.0 23.0 -147.2 110.4 14 14 A N H 3> S+ 0 0 25 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.889 135.7 55.4 -56.5 -44.0 24.1 -144.4 108.2 15 15 A G H <> S+ 0 0 0 -3,-0.8 4,-2.8 -6,-0.4 -1,-0.2 0.890 107.7 49.2 -58.4 -41.8 26.1 -142.7 111.0 16 16 A L H X S+ 0 0 28 -4,-1.4 4,-2.8 -7,-0.3 5,-0.2 0.953 112.6 46.9 -63.6 -47.9 28.1 -146.0 111.6 17 17 A A H X S+ 0 0 23 -4,-2.1 4,-1.8 1,-0.2 -2,-0.2 0.904 114.2 48.6 -60.7 -41.2 28.9 -146.3 107.9 18 18 A I H X S+ 0 0 0 -4,-2.9 4,-2.0 2,-0.2 -2,-0.2 0.943 111.8 47.6 -64.7 -47.4 29.9 -142.6 107.7 19 19 A A H X S+ 0 0 0 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.926 112.2 50.0 -61.5 -41.8 32.1 -142.8 110.8 20 20 A T H X S+ 0 0 41 -4,-2.8 4,-2.7 1,-0.2 -1,-0.2 0.862 107.8 54.5 -66.1 -32.0 33.8 -146.0 109.5 21 21 A R H X S+ 0 0 82 -4,-1.8 4,-1.2 -5,-0.2 -1,-0.2 0.908 108.8 47.1 -68.9 -41.0 34.4 -144.4 106.2 22 22 A F H <>S+ 0 0 0 -4,-2.0 5,-2.4 1,-0.2 3,-0.4 0.937 114.3 48.3 -64.1 -45.2 36.2 -141.4 107.8 23 23 A L H ><5S+ 0 0 3 -4,-2.3 3,-1.7 1,-0.2 -2,-0.2 0.898 107.5 54.5 -60.2 -42.9 38.3 -143.8 109.9 24 24 A A H 3<5S+ 0 0 63 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.781 105.5 54.8 -63.1 -27.8 39.2 -146.0 106.9 25 25 A R T 3<5S- 0 0 106 -4,-1.2 -1,-0.3 -3,-0.4 -2,-0.2 0.481 125.5-100.6 -84.5 -3.7 40.5 -142.9 105.2 26 26 A G T < 5S+ 0 0 29 -3,-1.7 -3,-0.2 1,-0.3 -2,-0.1 0.481 77.7 136.4 98.2 2.9 42.8 -142.1 108.1 27 27 A D < - 0 0 0 -5,-2.4 2,-0.4 -6,-0.2 -1,-0.3 -0.360 54.8-119.2 -82.2 163.0 40.7 -139.4 109.7 28 28 A R E -a 4 0A 66 -25,-3.0 -23,-3.0 -2,-0.1 2,-0.4 -0.855 31.7-157.0-101.5 137.6 40.0 -139.0 113.4 29 29 A V E -ac 5 54A 0 24,-2.3 26,-3.0 -2,-0.4 2,-0.7 -0.947 21.8-156.6-124.1 138.7 36.4 -139.3 114.5 30 30 A A E -ac 6 55A 0 -25,-2.6 -23,-2.9 -2,-0.4 2,-0.7 -0.966 25.6-159.3-106.6 109.9 34.4 -138.0 117.4 31 31 A A E -ac 7 56A 0 24,-2.9 26,-2.9 -2,-0.7 2,-0.4 -0.870 8.5-168.7 -98.2 113.2 31.4 -140.5 117.4 32 32 A L E +ac 8 57A 4 -25,-2.5 -22,-1.9 -2,-0.7 -23,-1.2 -0.871 19.8 138.4-107.8 136.4 28.4 -139.1 119.3 33 33 A D E - c 0 58A 27 24,-1.6 26,-2.9 -2,-0.4 6,-0.0 -0.951 58.0 -94.3-160.4 176.6 25.3 -141.1 120.2 34 34 A L S S+ 0 0 100 -2,-0.3 2,-0.5 24,-0.2 26,-0.1 0.755 100.5 53.4 -72.3 -30.3 22.8 -141.6 123.0 35 35 A S > - 0 0 32 1,-0.1 4,-2.3 24,-0.1 5,-0.2 -0.937 54.5-163.7-119.1 118.8 24.3 -144.7 124.8 36 36 A A H > S+ 0 0 41 -2,-0.5 4,-2.0 2,-0.2 5,-0.2 0.874 97.5 53.6 -59.2 -39.0 27.9 -144.9 126.0 37 37 A E H > S+ 0 0 144 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.951 109.4 45.5 -62.8 -51.8 27.5 -148.7 126.3 38 38 A T H > S+ 0 0 66 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.889 110.4 55.3 -59.8 -38.4 26.3 -149.1 122.7 39 39 A L H X S+ 0 0 0 -4,-2.3 4,-2.7 1,-0.2 -1,-0.2 0.908 109.2 46.8 -62.5 -40.0 29.1 -146.8 121.5 40 40 A E H X S+ 0 0 71 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.908 111.6 50.2 -69.3 -39.2 31.7 -149.0 123.1 41 41 A E H X S+ 0 0 89 -4,-2.4 4,-1.8 2,-0.2 5,-0.2 0.910 112.7 48.2 -63.9 -39.6 30.1 -152.2 121.7 42 42 A T H X>S+ 0 0 9 -4,-2.8 4,-3.2 1,-0.2 5,-0.9 0.921 110.1 52.0 -65.2 -43.3 30.2 -150.5 118.3 43 43 A A H X5S+ 0 0 8 -4,-2.7 4,-0.8 3,-0.2 8,-0.2 0.888 111.4 46.7 -60.8 -39.5 33.8 -149.5 118.8 44 44 A R H <5S+ 0 0 144 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.859 122.9 33.1 -73.7 -31.2 34.8 -153.1 119.7 45 45 A T H <5S+ 0 0 74 -4,-1.8 -2,-0.2 -5,-0.2 -3,-0.2 0.780 134.6 20.0 -97.6 -25.8 33.0 -154.7 116.8 46 46 A H H <5S+ 0 0 100 -4,-3.2 -3,-0.2 -5,-0.2 3,-0.2 0.661 129.3 37.4-116.1 -24.9 33.2 -152.1 114.0 47 47 A W S >X< S+ 0 0 51 -4,-1.4 3,-1.2 -3,-0.3 -1,-0.2 0.159 76.3 29.2 24.8 -92.5 40.8 -148.0 118.6 52 52 A D G 3 S+ 0 0 118 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.778 108.2 69.9 -59.0 -36.8 42.4 -144.6 119.6 53 53 A K G < S+ 0 0 82 -3,-3.1 -24,-2.3 -25,-0.1 2,-0.5 0.559 92.5 67.3 -67.4 -6.0 41.4 -142.7 116.5 54 54 A V E < -c 29 0A 3 -3,-1.2 2,-0.6 -4,-0.3 -24,-0.2 -0.971 67.6-158.6-120.9 124.5 37.8 -142.7 117.5 55 55 A L E -c 30 0A 38 -26,-3.0 -24,-2.9 -2,-0.5 2,-0.7 -0.899 13.7-147.3 -99.3 120.5 36.5 -140.7 120.5 56 56 A R E -c 31 0A 77 -2,-0.6 2,-0.5 -26,-0.2 -24,-0.2 -0.838 20.9-179.7 -94.4 118.8 33.2 -142.1 121.8 57 57 A V E -c 32 0A 22 -26,-2.9 -24,-1.6 -2,-0.7 2,-0.4 -0.971 23.2-140.5-123.5 125.7 31.0 -139.4 123.3 58 58 A R E +c 33 0A 123 -2,-0.5 2,-0.3 -26,-0.2 -24,-0.2 -0.667 41.5 148.7 -81.0 131.0 27.6 -139.9 124.7 59 59 A A - 0 0 2 -26,-2.9 2,-0.7 -2,-0.4 -24,-0.1 -0.911 47.0-140.6-166.0 136.5 25.4 -137.0 123.8 60 60 A D > - 0 0 57 -2,-0.3 3,-2.4 1,-0.1 7,-0.3 -0.907 22.5-149.1 -94.9 113.5 21.8 -136.2 123.0 61 61 A V T 3 S+ 0 0 14 -2,-0.7 59,-0.1 1,-0.3 -1,-0.1 0.774 93.5 64.6 -57.7 -26.6 22.1 -133.8 120.1 62 62 A A T 3 S+ 0 0 17 58,-0.1 2,-0.6 -3,-0.1 -1,-0.3 0.545 89.1 82.6 -73.5 -5.8 18.9 -132.0 121.2 63 63 A D <> - 0 0 70 -3,-2.4 4,-2.3 1,-0.2 5,-0.2 -0.879 66.1-156.1-105.9 122.1 20.6 -130.9 124.4 64 64 A E H > S+ 0 0 72 -2,-0.6 4,-2.9 1,-0.2 5,-0.3 0.912 94.8 52.8 -60.0 -43.4 22.8 -127.8 124.3 65 65 A G H > S+ 0 0 46 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.926 111.2 45.9 -58.8 -46.1 24.9 -128.9 127.3 66 66 A D H > S+ 0 0 38 -6,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.918 114.4 47.8 -61.6 -48.0 25.7 -132.3 125.8 67 67 A V H X S+ 0 0 4 -4,-2.3 4,-2.3 -7,-0.3 5,-0.2 0.940 111.8 48.7 -61.8 -48.9 26.6 -130.9 122.4 68 68 A N H X S+ 0 0 72 -4,-2.9 4,-2.4 1,-0.2 -1,-0.2 0.917 113.2 48.1 -59.7 -41.2 28.8 -128.1 123.8 69 69 A A H X S+ 0 0 61 -4,-2.1 4,-2.6 -5,-0.3 -1,-0.2 0.859 109.4 53.3 -67.8 -33.4 30.6 -130.7 126.0 70 70 A A H X S+ 0 0 1 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.911 110.9 45.7 -67.5 -41.9 31.1 -133.0 123.0 71 71 A I H X S+ 0 0 8 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.894 113.1 50.3 -67.9 -40.2 32.6 -130.3 120.9 72 72 A A H X S+ 0 0 51 -4,-2.4 4,-2.5 -5,-0.2 -2,-0.2 0.921 111.2 48.9 -62.8 -42.9 34.9 -129.3 123.8 73 73 A A H X S+ 0 0 37 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.884 109.9 52.1 -64.3 -36.9 35.9 -132.9 124.3 74 74 A T H X>S+ 0 0 0 -4,-2.1 4,-2.9 2,-0.2 5,-0.6 0.918 110.7 47.3 -64.3 -44.6 36.7 -133.2 120.5 75 75 A M H X5S+ 0 0 47 -4,-2.4 4,-1.8 3,-0.2 -2,-0.2 0.921 112.8 49.4 -62.9 -43.3 38.9 -130.1 120.7 76 76 A E H <5S+ 0 0 172 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.913 118.2 39.5 -61.6 -41.8 40.7 -131.4 123.8 77 77 A Q H <5S+ 0 0 113 -4,-2.4 -2,-0.2 -5,-0.2 -3,-0.2 0.933 135.3 12.9 -76.9 -46.4 41.3 -134.8 122.2 78 78 A F H <5S- 0 0 25 -4,-2.9 -3,-0.2 -5,-0.2 -2,-0.2 0.532 89.1-129.9-111.3 -14.2 42.2 -133.9 118.5 79 79 A G S < - 0 0 63 -2,-0.1 3,-1.4 1,-0.1 -3,-0.0 0.096 61.8 -75.0 -75.8-170.1 7.1 -143.5 116.9 94 94 A S T 3 S+ 0 0 118 1,-0.3 -1,-0.1 3,-0.0 3,-0.0 0.740 132.1 54.5 -57.7 -23.0 4.3 -145.5 115.5 95 95 A E T 3 S+ 0 0 116 1,-0.2 2,-2.5 2,-0.1 -1,-0.3 0.670 81.8 88.5 -87.0 -16.9 1.9 -142.6 116.5 96 96 A A < + 0 0 1 -3,-1.4 59,-0.2 6,-0.2 -1,-0.2 -0.465 64.6 113.9 -80.9 70.9 3.9 -139.9 114.6 97 97 A G + 0 0 16 -2,-2.5 56,-2.6 1,-0.5 57,-0.4 0.465 69.0 7.6-105.9-114.9 2.0 -140.5 111.4 98 98 A V S > S- 0 0 41 54,-0.2 3,-0.6 53,-0.2 4,-0.5 -0.341 84.9-105.1 -68.7 157.8 -0.4 -138.0 109.8 99 99 A L G > S+ 0 0 0 1,-0.2 3,-1.7 2,-0.2 275,-0.1 0.902 109.8 52.5 -50.2 -57.3 -0.4 -134.6 111.4 100 100 A H G 3 S+ 0 0 47 1,-0.3 -1,-0.2 273,-0.1 -2,-0.0 0.739 114.4 41.1 -61.1 -25.2 -3.6 -134.5 113.3 101 101 A T G < S+ 0 0 71 -3,-0.6 -1,-0.3 2,-0.1 -2,-0.2 0.344 84.5 111.3-104.1 6.0 -3.1 -137.7 115.3 102 102 A T S < S- 0 0 0 -3,-1.7 -6,-0.2 -4,-0.5 5,-0.0 -0.707 77.5-112.5 -82.4 129.3 0.6 -137.3 116.0 103 103 A P >> - 0 0 27 0, 0.0 4,-2.0 0, 0.0 3,-1.0 -0.298 18.3-125.7 -54.8 135.9 1.0 -136.7 119.8 104 104 A V H 3> S+ 0 0 15 1,-0.3 4,-2.3 2,-0.2 5,-0.2 0.903 112.1 57.4 -53.9 -37.9 2.3 -133.2 120.5 105 105 A E H 3> S+ 0 0 119 1,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.838 106.0 49.3 -63.0 -31.6 5.2 -134.8 122.5 106 106 A Q H <> S+ 0 0 16 -3,-1.0 4,-2.6 2,-0.2 5,-0.2 0.887 108.6 51.2 -75.7 -41.1 6.3 -136.7 119.4 107 107 A F H X S+ 0 0 2 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.941 113.1 46.9 -57.6 -48.3 6.2 -133.7 117.1 108 108 A D H X S+ 0 0 54 -4,-2.3 4,-2.4 -5,-0.2 -2,-0.2 0.906 112.3 49.7 -60.2 -43.9 8.3 -131.8 119.6 109 109 A K H X S+ 0 0 93 -4,-2.0 4,-2.7 2,-0.2 5,-0.3 0.933 111.1 48.2 -62.4 -47.1 10.8 -134.7 120.0 110 110 A V H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 5,-0.4 0.932 114.8 46.1 -60.9 -43.8 11.2 -135.1 116.2 111 111 A M H X>S+ 0 0 20 -4,-2.5 5,-2.3 -5,-0.2 4,-1.8 0.881 112.1 51.7 -66.2 -36.2 11.8 -131.4 115.8 112 112 A A H <>S+ 0 0 29 -4,-2.4 5,-1.6 3,-0.2 -2,-0.2 0.936 119.3 34.1 -66.3 -46.4 14.2 -131.3 118.8 113 113 A V H <5S+ 0 0 19 -4,-2.7 5,-0.2 3,-0.2 -2,-0.2 0.967 125.3 39.0 -72.7 -52.3 16.4 -134.1 117.5 114 114 A N H <5S+ 0 0 0 -4,-2.5 -3,-0.2 -5,-0.3 -2,-0.2 0.765 135.1 13.3 -73.4 -29.1 16.2 -133.5 113.8 115 115 A V T X5S+ 0 0 1 -4,-1.8 4,-2.7 -5,-0.4 3,-0.3 0.771 127.1 44.9-115.1 -56.3 16.3 -129.7 113.7 116 116 A R H > S+ 0 0 5 -3,-0.3 4,-2.5 2,-0.2 5,-0.2 0.897 112.6 50.7 -71.6 -40.8 21.5 -129.7 113.9 119 119 A F H X S+ 0 0 0 -4,-2.7 4,-2.8 1,-0.2 -2,-0.2 0.936 113.7 45.5 -60.6 -46.6 21.2 -126.0 114.9 120 120 A L H X S+ 0 0 2 -4,-3.1 4,-2.0 -5,-0.2 -2,-0.2 0.884 111.6 51.3 -66.5 -37.4 23.1 -126.8 118.2 121 121 A G H X S+ 0 0 6 -4,-2.1 4,-2.1 -5,-0.2 -2,-0.2 0.956 114.4 43.1 -63.9 -48.6 25.8 -128.9 116.4 122 122 A C H X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.911 111.8 54.9 -61.6 -43.7 26.5 -126.1 113.9 123 123 A R H < S+ 0 0 60 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.871 111.4 44.9 -59.7 -38.0 26.4 -123.5 116.6 124 124 A A H < S+ 0 0 10 -4,-2.0 4,-0.4 -5,-0.2 -1,-0.2 0.857 119.2 40.1 -75.1 -35.3 29.0 -125.3 118.7 125 125 A V H >X S+ 0 0 0 -4,-2.1 4,-2.3 -5,-0.2 3,-0.6 0.793 97.7 73.2 -87.8 -28.2 31.3 -126.0 115.7 126 126 A L H 3X S+ 0 0 0 -4,-2.7 4,-3.4 1,-0.2 5,-0.2 0.873 90.6 57.4 -57.7 -40.0 31.2 -122.8 113.7 127 127 A P H 3> S+ 0 0 60 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.905 112.3 43.8 -57.9 -36.7 33.3 -120.7 116.1 128 128 A H H <> S+ 0 0 57 -3,-0.6 4,-2.2 -4,-0.4 -2,-0.2 0.899 114.2 47.5 -74.0 -42.2 36.1 -123.3 115.7 129 129 A M H X>S+ 0 0 0 -4,-2.3 4,-1.7 1,-0.2 5,-1.5 0.894 111.7 52.9 -66.4 -37.1 35.8 -123.6 111.9 130 130 A L H <5S+ 0 0 53 -4,-3.4 -1,-0.2 -5,-0.2 -2,-0.2 0.891 108.7 48.3 -63.7 -39.7 35.7 -119.8 111.8 131 131 A L H <5S+ 0 0 151 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.890 113.2 48.9 -66.2 -40.3 38.9 -119.6 113.8 132 132 A Q H <5S- 0 0 60 -4,-2.2 -1,-0.2 2,-0.1 -2,-0.2 0.778 105.3-133.5 -68.4 -28.4 40.4 -122.2 111.4 133 133 A G T <5S+ 0 0 43 -4,-1.7 2,-0.3 -5,-0.2 -3,-0.2 0.610 80.5 61.5 81.7 12.6 39.2 -120.3 108.4 134 134 A A < + 0 0 52 -5,-1.5 2,-0.3 -6,-0.2 44,-0.2 -0.935 53.3 145.0-168.1 141.7 37.9 -123.5 107.0 135 135 A G E - 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