==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 09-APR-08 3CSD . COMPND 2 MOLECULE: PUTATIVE KETOACYL REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES COELICOLOR; . AUTHOR P.JAVIDPOUR . 513 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21020.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 384 74.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 70 13.6 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 . 29 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 51 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 194 37.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 3.1 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 1 0 1 0 1 1 0 2 7 2 1 1 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 2 6 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 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 -3 B R 0 0 184 0, 0.0 2,-0.2 0, 0.0 31,-0.2 0.000 360.0 360.0 360.0 0.4 112.0 76.0 -146.0 2 -2 B G > + 0 0 1 29,-0.6 4,-1.7 1,-0.2 57,-0.2 -0.778 360.0 40.3-120.1 -7.7 110.7 75.3 -143.4 3 -1 B S T 4 S+ 0 0 38 55,-2.6 -1,-0.2 -2,-0.2 56,-0.2 0.818 119.4 53.4 -70.2 -33.8 107.8 77.4 -142.1 4 0 B H T 4 S+ 0 0 149 54,-0.4 -1,-0.2 1,-0.2 55,-0.1 0.583 119.3 33.9 -75.1 -12.3 106.6 77.4 -145.7 5 1 B M T 4 S+ 0 0 113 -3,-0.1 -2,-0.2 2,-0.1 -1,-0.2 0.517 91.6 111.2-116.4 -11.6 106.8 73.6 -145.8 6 2 B A < + 0 0 24 -4,-1.7 2,-0.3 29,-0.1 29,-0.1 -0.316 38.1 164.5 -63.0 142.8 105.8 72.7 -142.2 7 3 B T > - 0 0 78 27,-0.3 3,-1.8 4,-0.1 29,-0.1 -0.830 57.5 -81.6-141.9-175.6 102.5 70.9 -141.7 8 4 B Q T 3 S+ 0 0 176 1,-0.3 -2,-0.1 -2,-0.3 28,-0.0 0.545 129.0 58.1 -71.2 -7.0 100.8 69.0 -139.0 9 5 B D T 3 S+ 0 0 155 2,-0.1 -1,-0.3 0, 0.0 2,-0.1 0.374 84.8 110.2 -97.4 -2.2 102.8 66.0 -140.2 10 6 B S S < S- 0 0 22 -3,-1.8 25,-0.1 1,-0.1 24,-0.1 -0.491 79.0 -98.1 -70.6 152.7 106.1 67.8 -139.6 11 7 B E - 0 0 99 -2,-0.1 25,-2.8 23,-0.1 2,-0.5 -0.330 33.6-130.5 -66.4 144.8 108.3 66.7 -136.8 12 8 B V E -a 36 0A 1 75,-0.4 77,-2.6 23,-0.2 78,-2.0 -0.889 19.5-166.3-103.4 124.5 108.2 68.6 -133.5 13 9 B A E -ab 37 90A 0 23,-3.2 25,-2.9 -2,-0.5 2,-0.4 -0.856 7.1-161.8-104.8 141.9 111.4 69.9 -131.8 14 10 B L E -ab 38 91A 0 76,-2.4 78,-3.1 -2,-0.4 2,-0.5 -0.998 11.7-175.9-117.0 121.9 111.7 71.2 -128.2 15 11 B V E > -ab 39 92A 0 23,-2.2 25,-1.5 -2,-0.4 3,-0.5 -0.971 10.5-153.3-119.4 120.3 114.8 73.3 -127.6 16 12 B T T 3 S+ 0 0 2 76,-2.4 78,-0.4 -2,-0.5 25,-0.1 -0.606 79.6 19.8 -89.2 150.4 115.6 74.5 -124.0 17 13 B G T 3 S+ 0 0 20 23,-0.3 3,-0.5 -2,-0.2 6,-0.4 0.890 80.5 154.7 61.7 39.5 117.6 77.7 -123.4 18 14 B A < + 0 0 0 22,-2.3 -1,-0.1 -3,-0.5 23,-0.1 -0.030 37.9 87.9 -90.6 32.0 116.9 78.8 -127.0 19 15 B T S S+ 0 0 35 -2,-0.2 2,-0.3 1,-0.2 -1,-0.2 0.391 88.4 18.7-118.4 12.7 117.2 82.5 -126.7 20 16 B S S >> S- 0 0 54 -3,-0.5 4,-1.0 30,-0.0 3,-0.7 -0.933 107.2 -16.8-174.4 153.3 120.8 83.4 -127.3 21 17 B G H 3> S+ 0 0 20 -2,-0.3 4,-2.0 1,-0.2 5,-0.2 -0.022 122.7 7.4 43.6-117.3 123.9 81.9 -128.9 22 18 B I H 3> S+ 0 0 26 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.924 129.6 52.0 -69.1 -43.0 123.9 78.1 -129.5 23 19 B G H <> S+ 0 0 0 -3,-0.7 4,-2.2 -6,-0.4 -1,-0.2 0.836 110.4 47.0 -64.6 -36.3 120.3 77.5 -128.6 24 20 B L H X S+ 0 0 15 -4,-1.0 4,-2.6 2,-0.2 -1,-0.2 0.932 112.7 50.4 -72.3 -43.6 118.9 80.1 -130.9 25 21 B E H X S+ 0 0 52 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.895 109.7 50.7 -58.2 -38.7 121.1 78.9 -133.7 26 22 B I H X S+ 0 0 0 -4,-2.7 4,-2.7 2,-0.2 5,-0.3 0.951 110.7 48.3 -67.6 -43.4 119.9 75.3 -133.1 27 23 B A H X S+ 0 0 0 -4,-2.2 4,-2.1 -5,-0.2 -2,-0.2 0.936 112.6 49.5 -62.6 -41.7 116.3 76.4 -133.2 28 24 B R H X S+ 0 0 48 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.961 112.3 47.5 -56.4 -52.9 116.9 78.4 -136.4 29 25 B R H X S+ 0 0 61 -4,-2.7 4,-1.2 1,-0.2 -2,-0.2 0.885 113.6 46.8 -58.4 -42.2 118.7 75.4 -138.1 30 26 B L H <>S+ 0 0 1 -4,-2.7 5,-2.3 2,-0.2 -1,-0.2 0.835 111.6 51.5 -69.9 -35.0 116.0 72.9 -137.1 31 27 B G H ><5S+ 0 0 0 -4,-2.1 3,-1.8 -5,-0.3 -29,-0.6 0.919 106.6 53.9 -66.7 -41.4 113.3 75.2 -138.3 32 28 B K H 3<5S+ 0 0 96 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.752 102.7 57.9 -62.3 -30.9 115.0 75.6 -141.6 33 29 B E T 3<5S- 0 0 94 -4,-1.2 -1,-0.3 -5,-0.2 -2,-0.2 0.283 128.4 -99.7 -75.2 0.2 115.0 71.8 -142.0 34 30 B G T < 5S+ 0 0 14 -3,-1.8 -27,-0.3 1,-0.3 2,-0.3 0.652 74.9 140.3 92.5 11.9 111.2 72.0 -141.7 35 31 B L < - 0 0 9 -5,-2.3 2,-0.6 -25,-0.1 25,-0.3 -0.652 56.7-119.1 -83.9 148.9 110.6 71.1 -138.0 36 32 B R E -a 12 0A 22 -25,-2.8 -23,-3.2 -2,-0.3 2,-0.6 -0.792 38.7-151.9 -80.1 119.9 107.9 72.8 -135.8 37 33 B V E -ac 13 61A 0 23,-2.7 25,-1.8 -2,-0.6 2,-0.5 -0.883 19.2-171.1-109.0 116.7 110.1 74.3 -133.0 38 34 B F E -ac 14 62A 5 -25,-2.9 -23,-2.2 -2,-0.6 25,-0.3 -0.914 19.8-171.5-101.7 123.7 108.9 74.9 -129.5 39 35 B V E -ac 15 63A 0 23,-2.8 25,-1.5 -2,-0.5 2,-0.3 -0.751 9.0-171.5-113.8 161.6 111.5 77.0 -127.5 40 36 B C E + c 0 64A 1 -25,-1.5 -22,-2.3 -2,-0.2 2,-0.3 -0.963 12.2 156.1-144.5 162.5 112.0 78.0 -123.8 41 37 B A E - c 0 65A 8 23,-0.9 25,-2.1 -2,-0.3 23,-0.0 -0.908 46.1-109.7-163.9 173.7 114.1 80.2 -121.7 42 38 B R S S+ 0 0 171 -2,-0.3 2,-0.4 23,-0.3 -1,-0.1 0.894 93.4 73.6 -76.0 -46.5 113.8 82.0 -118.3 43 39 B G > - 0 0 42 1,-0.1 4,-2.2 23,-0.1 5,-0.1 -0.607 65.2-152.7 -81.9 130.2 113.7 85.6 -119.5 44 40 B E H > S+ 0 0 98 -2,-0.4 4,-2.5 2,-0.2 5,-0.1 0.828 95.7 53.2 -61.6 -39.9 110.5 86.8 -121.1 45 41 B E H > S+ 0 0 133 2,-0.2 4,-1.9 1,-0.2 5,-0.2 0.919 110.4 46.4 -69.7 -45.0 112.3 89.5 -123.2 46 42 B G H > S+ 0 0 23 2,-0.2 4,-2.7 1,-0.2 5,-0.3 0.937 112.1 52.9 -56.5 -49.5 114.7 87.0 -124.7 47 43 B L H X S+ 0 0 11 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.935 110.4 47.0 -50.5 -54.9 111.8 84.6 -125.4 48 44 B R H X S+ 0 0 143 -4,-2.5 4,-1.2 2,-0.2 -1,-0.2 0.805 113.6 45.8 -62.1 -35.1 109.9 87.3 -127.3 49 45 B T H X S+ 0 0 82 -4,-1.9 4,-2.7 2,-0.2 -1,-0.2 0.893 112.5 51.4 -77.6 -39.2 112.8 88.5 -129.4 50 46 B T H X S+ 0 0 0 -4,-2.7 4,-2.1 2,-0.2 -2,-0.2 0.871 108.0 52.7 -57.4 -41.5 113.8 84.9 -130.2 51 47 B L H X S+ 0 0 42 -4,-2.2 4,-1.9 -5,-0.3 -1,-0.2 0.869 110.3 48.3 -66.2 -30.8 110.2 84.2 -131.3 52 48 B K H X S+ 0 0 116 -4,-1.2 4,-2.6 2,-0.2 -2,-0.2 0.956 110.7 50.0 -74.5 -49.3 110.3 87.2 -133.6 53 49 B E H X S+ 0 0 74 -4,-2.7 4,-0.9 1,-0.2 -2,-0.2 0.861 110.7 51.0 -51.3 -40.0 113.7 86.2 -135.1 54 50 B L H ><>S+ 0 0 0 -4,-2.1 5,-2.1 2,-0.2 3,-0.9 0.931 108.6 48.9 -71.9 -41.8 112.4 82.8 -135.8 55 51 B R H ><5S+ 0 0 187 -4,-1.9 3,-1.7 1,-0.3 -2,-0.2 0.927 111.0 53.2 -61.3 -41.4 109.2 84.0 -137.5 56 52 B E H 3<5S+ 0 0 132 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.694 105.0 53.0 -63.6 -21.4 111.4 86.2 -139.6 57 53 B A T <<5S- 0 0 21 -4,-0.9 -1,-0.3 -3,-0.9 -2,-0.2 0.318 123.6-105.6 -94.9 2.3 113.6 83.3 -140.7 58 54 B G T < 5S+ 0 0 10 -3,-1.7 -55,-2.6 1,-0.3 2,-0.5 0.908 70.6 147.6 72.3 45.0 110.5 81.4 -141.8 59 55 B V < - 0 0 5 -5,-2.1 2,-0.9 -57,-0.2 -1,-0.3 -0.937 51.9-132.2-111.0 131.2 110.4 79.0 -138.9 60 56 B E + 0 0 48 -2,-0.5 -23,-2.7 -25,-0.3 2,-0.3 -0.786 53.7 154.8 -73.2 106.3 107.1 77.7 -137.5 61 57 B A E +c 37 0A 15 -2,-0.9 2,-0.3 -25,-0.2 -23,-0.2 -0.932 25.2 170.3-139.0 155.0 108.0 78.3 -133.8 62 58 B D E +c 38 0A 48 -25,-1.8 -23,-2.8 -2,-0.3 2,-0.3 -0.914 14.8 171.1-153.5 173.9 106.2 79.0 -130.5 63 59 B G E -c 39 0A 14 -2,-0.3 2,-0.3 -25,-0.3 -23,-0.2 -0.992 20.5-148.9-177.3-177.1 107.5 79.1 -126.9 64 60 B R E -c 40 0A 102 -25,-1.5 -23,-0.9 -2,-0.3 2,-0.2 -0.971 34.8 -98.1-162.5 150.7 107.2 79.8 -123.2 65 61 B T E +c 41 0A 56 -2,-0.3 2,-0.3 -25,-0.2 -23,-0.3 -0.572 49.1 168.2 -75.3 148.2 109.3 80.8 -120.2 66 62 B C - 0 0 5 -25,-2.1 2,-0.6 -2,-0.2 -49,-0.1 -0.928 33.5-142.9-160.6 137.3 110.5 77.9 -118.1 67 63 B D > - 0 0 31 -2,-0.3 3,-1.9 3,-0.1 7,-0.2 -0.948 10.2-154.5 -96.7 116.1 113.0 77.3 -115.4 68 64 B V T 3 S+ 0 0 10 -2,-0.6 56,-0.1 1,-0.3 -1,-0.1 0.636 93.8 69.2 -62.7 -13.0 114.7 73.9 -115.9 69 65 B R T 3 S+ 0 0 68 1,-0.1 2,-0.5 55,-0.0 -1,-0.3 0.499 92.0 74.3 -79.3 -1.1 115.3 73.9 -112.1 70 66 B S <> - 0 0 29 -3,-1.9 4,-1.7 1,-0.1 5,-0.2 -0.932 61.6-164.1-125.7 118.5 111.6 73.5 -111.6 71 67 B V H > S+ 0 0 41 -2,-0.5 4,-2.6 2,-0.2 5,-0.1 0.876 92.5 50.5 -65.9 -44.9 109.7 70.3 -112.2 72 68 B P H > S+ 0 0 90 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.917 111.1 50.5 -60.7 -41.0 106.1 71.9 -112.4 73 69 B E H > S+ 0 0 86 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.855 111.9 47.7 -59.3 -37.2 107.4 74.4 -114.9 74 70 B I H X S+ 0 0 2 -4,-1.7 4,-2.4 2,-0.2 -1,-0.2 0.872 109.7 52.9 -71.3 -41.6 108.9 71.5 -117.0 75 71 B E H X S+ 0 0 95 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.910 111.9 45.2 -57.5 -45.4 105.7 69.6 -116.7 76 72 B A H X S+ 0 0 35 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.861 110.3 54.7 -70.1 -37.8 103.8 72.7 -118.1 77 73 B L H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 5,-0.2 0.944 111.2 44.8 -56.3 -46.0 106.4 73.3 -120.8 78 74 B V H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.929 112.6 49.9 -71.7 -42.5 106.0 69.7 -122.1 79 75 B A H X S+ 0 0 58 -4,-2.3 4,-1.9 -5,-0.2 -1,-0.2 0.899 109.9 53.6 -60.6 -38.5 102.2 69.9 -121.9 80 76 B A H X S+ 0 0 15 -4,-2.7 4,-3.0 2,-0.2 5,-0.2 0.926 109.2 46.4 -60.8 -47.4 102.3 73.2 -123.8 81 77 B V H X>S+ 0 0 0 -4,-2.2 4,-3.3 1,-0.2 5,-1.3 0.924 113.9 49.4 -61.3 -42.4 104.4 71.8 -126.8 82 78 B V H <5S+ 0 0 50 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.851 114.2 44.4 -66.7 -35.1 102.1 68.8 -126.9 83 79 B E H <5S+ 0 0 180 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.907 120.5 41.3 -74.7 -42.4 99.0 71.0 -126.9 84 80 B R H <5S- 0 0 110 -4,-3.0 -2,-0.2 -5,-0.2 -3,-0.2 0.934 140.3 -3.2 -72.9 -46.6 100.4 73.4 -129.5 85 81 B Y T <5S- 0 0 22 -4,-3.3 -3,-0.2 1,-0.3 -4,-0.1 0.804 97.6-109.1-115.0 -55.1 102.2 70.9 -131.9 86 82 B G < - 0 0 11 -5,-1.3 -1,-0.3 47,-0.0 -3,-0.1 -0.910 65.7 -6.7 144.0-171.6 101.9 67.3 -130.8 87 83 B P S S- 0 0 69 0, 0.0 -75,-0.4 0, 0.0 2,-0.3 -0.130 77.7-106.2 -50.7 141.9 104.3 64.6 -129.4 88 84 B V + 0 0 0 45,-2.2 -75,-0.2 41,-0.2 3,-0.1 -0.580 36.4 175.5 -76.9 134.7 108.0 65.7 -129.3 89 85 B D S S+ 0 0 24 -77,-2.6 53,-1.9 1,-0.3 2,-0.4 0.680 71.9 32.4-102.7 -35.5 110.3 64.0 -132.0 90 86 B V E -bd 13 142A 1 -78,-2.0 -76,-2.4 51,-0.2 2,-0.5 -1.000 65.2-169.8-132.0 126.1 113.5 65.9 -131.3 91 87 B L E -bd 14 143A 0 51,-2.5 53,-2.8 -2,-0.4 2,-0.5 -0.988 1.1-171.4-119.9 123.2 114.7 67.2 -127.8 92 88 B V E -bd 15 144A 0 -78,-3.1 -76,-2.4 -2,-0.5 2,-1.0 -0.964 8.9-158.4-112.3 113.5 117.6 69.5 -127.6 93 89 B N E + d 0 145A 4 51,-2.1 53,-2.8 -2,-0.5 -76,-0.1 -0.813 36.5 142.7 -90.6 103.2 118.8 70.1 -123.9 94 90 B N + 0 0 25 -2,-1.0 -77,-0.2 -78,-0.4 -1,-0.2 0.664 25.7 112.5-117.6 -28.3 120.7 73.4 -124.2 95 91 B A + 0 0 24 -72,-0.1 2,-0.3 26,-0.1 51,-0.1 -0.201 42.4 132.1 -41.9 126.1 119.8 75.3 -121.0 96 92 B G - 0 0 38 25,-0.1 2,-0.3 -79,-0.0 18,-0.1 -0.967 36.7-144.1-170.1 169.1 122.9 75.7 -118.8 97 93 B R - 0 0 84 -2,-0.3 2,-0.2 17,-0.2 21,-0.1 -0.944 19.3-113.3-137.8 160.6 125.0 78.1 -116.8 98 94 B L + 0 0 49 -2,-0.3 2,-0.3 2,-0.0 60,-0.0 -0.563 29.4 175.4 -82.7 159.2 128.6 78.8 -115.8 99 95 B G + 0 0 8 -2,-0.2 62,-0.8 15,-0.0 2,-0.2 -0.832 16.4 136.1-166.3 129.1 129.9 78.5 -112.3 100 96 B G + 0 0 35 -2,-0.3 58,-0.2 60,-0.1 2,-0.2 -0.850 3.5 113.9-158.6-172.3 133.5 79.0 -111.2 101 97 B G S S- 0 0 31 56,-2.3 2,-0.4 -2,-0.2 58,-0.3 -0.677 80.8 -27.1 121.3 179.8 136.1 80.3 -108.8 102 98 B A >> - 0 0 31 -2,-0.2 3,-1.3 1,-0.2 4,-1.0 -0.564 60.7-136.3 -66.6 125.5 138.5 78.7 -106.5 103 99 B T G >4 S+ 0 0 0 -2,-0.4 3,-0.8 1,-0.3 -1,-0.2 0.874 103.2 55.9 -47.8 -46.4 136.9 75.4 -105.6 104 100 B A G 34 S+ 0 0 7 1,-0.2 -1,-0.3 276,-0.1 277,-0.1 0.757 113.7 41.7 -64.0 -20.3 137.8 75.7 -101.9 105 101 B E G <4 S+ 0 0 126 -3,-1.3 -1,-0.2 2,-0.1 -2,-0.2 0.474 85.0 124.8-100.8 -8.7 136.0 79.2 -101.8 106 102 B L << - 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0 0 9 -2,-0.3 2,-0.3 -3,-0.1 -36,-0.2 -0.446 44.5-119.0 -58.1 145.5 135.3 39.6 -108.6 481 227 A V B -n 444 0D 3 -38,-3.0 -36,-2.6 -2,-0.1 -1,-0.1 -0.658 34.7-125.1 -74.3 143.3 137.9 42.3 -108.0 482 228 A Q >> - 0 0 71 -2,-0.3 4,-1.5 -38,-0.2 3,-1.4 -0.730 8.7-125.8 -92.2 140.9 138.9 42.2 -104.3 483 229 A P H 3> S+ 0 0 14 0, 0.0 4,-2.6 0, 0.0 5,-0.1 0.771 111.8 61.9 -53.5 -26.0 138.5 45.3 -102.2 484 230 A S H 3> S+ 0 0 51 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.803 99.0 55.5 -74.7 -24.6 142.2 44.9 -101.2 485 231 A E H <> S+ 0 0 65 -3,-1.4 4,-1.6 2,-0.2 -1,-0.2 0.914 109.1 47.6 -71.9 -37.0 143.1 45.3 -105.0 486 232 A V H X S+ 0 0 0 -4,-1.5 4,-1.6 1,-0.2 3,-0.3 0.970 112.9 48.0 -64.3 -46.6 141.2 48.6 -104.8 487 233 A A H X S+ 0 0 1 -4,-2.6 4,-2.8 1,-0.2 -2,-0.2 0.839 105.5 59.2 -63.3 -31.0 143.0 49.6 -101.6 488 234 A E H X S+ 0 0 104 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.910 105.5 49.0 -67.2 -36.6 146.4 48.6 -103.2 489 235 A M H X S+ 0 0 29 -4,-1.6 4,-2.2 -3,-0.3 -1,-0.2 0.900 110.4 50.1 -69.6 -36.5 145.9 51.2 -105.9 490 236 A V H X S+ 0 0 0 -4,-1.6 4,-1.5 2,-0.2 -2,-0.2 0.913 108.2 54.0 -64.1 -42.3 145.0 53.8 -103.3 491 237 A A H X S+ 0 0 15 -4,-2.8 4,-0.8 1,-0.2 3,-0.2 0.903 108.4 49.8 -59.5 -40.5 148.2 52.9 -101.4 492 238 A Y H >< S+ 0 0 119 -4,-2.0 3,-0.9 1,-0.2 -2,-0.2 0.955 109.9 50.7 -64.3 -44.8 150.1 53.5 -104.6 493 239 A L H 3< S+ 0 0 1 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.726 108.7 50.0 -66.7 -23.6 148.5 56.9 -105.2 494 240 A I H 3< S+ 0 0 22 -4,-1.5 -1,-0.2 -3,-0.2 -2,-0.2 0.637 92.7 101.2 -89.4 -14.7 149.2 58.3 -101.7 495 241 A G S X< S- 0 0 21 -3,-0.9 3,-1.0 -4,-0.8 -3,-0.0 -0.089 85.5-111.6 -64.8 164.1 152.9 57.3 -101.9 496 242 A P G > S+ 0 0 124 0, 0.0 3,-1.5 0, 0.0 4,-0.1 0.841 113.3 61.6 -78.3 -30.5 155.7 59.8 -102.6 497 243 A G G 3 S+ 0 0 70 1,-0.2 3,-0.4 2,-0.1 -4,-0.1 0.545 96.2 65.3 -67.8 -2.9 156.5 58.3 -106.1 498 244 A A G X + 0 0 0 -3,-1.0 3,-1.9 -6,-0.2 -1,-0.2 0.301 64.4 104.5-105.7 8.7 153.0 59.2 -107.2 499 245 A A T < S+ 0 0 59 -3,-1.5 -1,-0.2 1,-0.3 -2,-0.1 0.730 77.9 58.3 -57.8 -23.8 153.4 63.0 -106.9 500 246 A A T 3 S+ 0 0 98 -3,-0.4 2,-0.8 -4,-0.1 -1,-0.3 0.504 89.2 84.7 -82.6 -4.7 153.6 63.1 -110.7 501 247 A V < + 0 0 27 -3,-1.9 2,-0.3 -8,-0.1 -1,-0.1 -0.905 58.1 144.9-101.3 108.7 150.1 61.5 -111.0 502 248 A T + 0 0 31 -2,-0.8 -65,-0.2 -67,-0.1 3,-0.1 -0.986 54.6 17.1-147.1 152.8 147.4 64.1 -110.8 503 249 A A S S+ 0 0 8 -67,-2.2 2,-0.3 -2,-0.3 -66,-0.2 0.725 91.9 133.9 59.9 30.7 144.0 64.7 -112.3 504 250 A Q - 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