==== 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 TRANSFERASE 19-JUN-07 2QCV . COMPND 2 MOLECULE: PUTATIVE 5-DEHYDRO-2-DEOXYGLUCONOKINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS HALODURANS C-125; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 325 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14497.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 237 72.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 38 11.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 29 8.9 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 . 3 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 26 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 92 28.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 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 1 0 0 1 1 0 1 1 1 0 3 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 3 1 3 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 . 1 0 0 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 ANTIPARALLEL BRIDGES PER LADDER . 1 0 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 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 T 0 0 155 0, 0.0 283,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 92.5 75.8 44.0 -9.3 2 3 A Y + 0 0 221 1,-0.0 2,-0.3 2,-0.0 0, 0.0 0.445 360.0 27.2 -88.4 -2.9 73.2 43.7 -12.2 3 4 A E S S- 0 0 130 4,-0.0 2,-0.1 0, 0.0 4,-0.1 -0.948 80.3-136.1-148.9 147.6 75.6 42.7 -15.0 4 5 A L - 0 0 65 -2,-0.3 3,-0.0 2,-0.2 -2,-0.0 -0.399 27.0-102.8-108.0 174.3 78.9 40.9 -14.7 5 6 A S S S+ 0 0 80 162,-0.2 2,-0.3 -2,-0.1 -1,-0.1 0.790 109.1 18.1 -68.7 -24.9 82.3 41.2 -16.2 6 7 A T S S- 0 0 79 161,-0.2 -2,-0.2 160,-0.1 2,-0.1 -0.955 97.4 -89.7-139.4 160.4 81.6 38.3 -18.5 7 8 A D - 0 0 122 -2,-0.3 2,-0.5 -4,-0.1 -2,-0.0 -0.447 42.2-153.0 -74.3 140.0 78.4 36.7 -19.7 8 9 A R + 0 0 26 -2,-0.1 129,-0.2 1,-0.1 128,-0.1 -0.961 25.6 177.9-124.4 132.1 77.2 33.9 -17.5 9 10 A E S S+ 0 0 123 127,-1.7 2,-0.4 -2,-0.5 128,-0.2 0.691 73.6 55.1 -92.7 -32.3 75.1 30.8 -18.4 10 11 A F E -a 137 0A 16 126,-2.9 128,-2.0 1,-0.1 49,-0.2 -0.844 58.7-157.4-107.4 142.6 75.1 29.2 -15.0 11 12 A D E S- 0 0 24 47,-2.6 128,-0.8 -2,-0.4 2,-0.3 0.880 85.0 -2.1 -74.4 -40.1 74.1 30.6 -11.6 12 13 A L E -ab 139 59A 0 46,-1.6 48,-2.0 126,-0.2 2,-0.4 -0.996 51.8-162.7-151.6 149.5 76.3 28.0 -9.8 13 14 A I E -ab 140 60A 1 126,-1.6 128,-2.7 -2,-0.3 2,-0.3 -0.994 20.7-158.6-125.7 127.0 78.6 25.1 -10.5 14 15 A A E -ab 141 61A 0 46,-1.8 48,-2.7 -2,-0.4 2,-0.4 -0.790 1.0-152.9-105.1 153.7 79.4 22.8 -7.5 15 16 A I E +ab 142 62A 0 126,-2.1 128,-1.1 -2,-0.3 2,-0.4 -0.993 50.4 33.9-130.4 130.8 82.3 20.5 -7.2 16 17 A G S S+ 0 0 1 46,-2.0 2,-0.4 -2,-0.4 48,-0.4 -0.996 85.2 23.9 141.3-129.2 82.7 17.3 -5.2 17 18 A R + 0 0 19 -2,-0.4 29,-1.4 46,-0.1 2,-0.4 -0.615 33.6 169.0 -89.1 130.2 80.4 14.4 -4.2 18 19 A A + 0 0 4 46,-0.4 80,-0.2 -2,-0.4 25,-0.2 -0.997 31.8 147.4-123.8 119.0 77.2 13.1 -5.8 19 20 A C E -I 42 0B 2 23,-2.8 23,-2.7 -2,-0.4 2,-0.5 -0.637 47.0 -77.9-136.4-167.5 76.3 9.8 -4.2 20 21 A I E -Ij 41 99B 0 78,-2.2 80,-2.3 21,-0.3 2,-0.5 -0.916 29.6-161.8-104.8 128.7 73.4 7.5 -3.2 21 22 A D E -Ij 40 100B 24 19,-2.8 19,-2.7 -2,-0.5 2,-0.6 -0.909 3.5-160.4-102.2 134.7 71.4 8.1 -0.1 22 23 A L E -Ij 39 101B 28 78,-3.2 80,-2.4 -2,-0.5 2,-0.5 -0.930 15.6-158.9-117.2 100.9 69.3 5.1 1.1 23 24 A N E -I 38 0B 32 15,-2.8 15,-2.8 -2,-0.6 2,-0.1 -0.736 20.5-112.3 -92.6 127.2 66.7 6.5 3.3 24 25 A A E -I 37 0B 8 78,-0.5 13,-0.2 -2,-0.5 3,-0.1 -0.339 22.1-166.8 -57.0 121.0 64.9 4.4 5.9 25 26 A V S S+ 0 0 74 11,-3.0 2,-0.8 1,-0.2 -1,-0.2 0.915 85.5 49.2 -75.8 -47.2 61.3 3.8 5.0 26 27 A E S S+ 0 0 48 10,-0.6 -1,-0.2 5,-0.1 78,-0.2 -0.850 88.0 167.2 -93.4 111.1 60.4 2.4 8.4 27 28 A Y + 0 0 92 -2,-0.8 78,-0.1 1,-0.2 -2,-0.1 -0.477 40.4 67.2-123.7-170.9 61.9 5.0 10.7 28 29 A N S S+ 0 0 80 76,-1.5 77,-0.3 1,-0.3 -1,-0.2 0.930 96.9 85.1 53.1 47.8 61.8 6.2 14.4 29 30 A R S S- 0 0 96 75,-1.9 75,-0.5 -3,-0.1 -1,-0.3 -0.953 95.4 -77.5-162.1 158.8 63.6 2.9 15.0 30 31 A P > - 0 0 40 0, 0.0 3,-1.9 0, 0.0 4,-0.4 -0.369 45.8-117.2 -59.4 143.9 67.1 1.5 15.0 31 32 A X G > S+ 0 0 30 1,-0.3 3,-1.5 2,-0.2 -5,-0.1 0.786 112.5 72.2 -58.1 -28.8 68.3 0.8 11.4 32 33 A E G 3 S+ 0 0 154 1,-0.3 -1,-0.3 3,-0.0 71,-0.0 0.866 102.0 44.7 -51.0 -35.5 68.5 -2.9 12.3 33 34 A E G < S+ 0 0 111 -3,-1.9 2,-0.6 -7,-0.0 -1,-0.3 0.483 89.5 101.4 -89.7 -5.2 64.7 -2.8 12.3 34 35 A T < + 0 0 8 -3,-1.5 -7,-0.1 -4,-0.4 3,-0.1 -0.768 44.5 176.1 -84.6 117.7 64.5 -0.8 9.1 35 36 A X + 0 0 150 -2,-0.6 2,-0.3 1,-0.1 -1,-0.1 0.565 59.2 45.7-100.2 -17.3 63.6 -3.3 6.3 36 37 A T - 0 0 73 -10,-0.1 -11,-3.0 2,-0.0 -10,-0.6 -0.991 59.7-168.4-135.3 142.1 63.2 -1.0 3.3 37 38 A F E -I 24 0B 64 -2,-0.3 2,-0.4 -13,-0.2 -13,-0.2 -0.982 15.0-138.9-130.1 137.9 65.2 1.9 2.0 38 39 A S E -I 23 0B 39 -15,-2.8 -15,-2.8 -2,-0.4 2,-0.5 -0.835 22.6-126.4 -99.7 137.2 64.4 4.5 -0.7 39 40 A K E +I 22 0B 96 -2,-0.4 2,-0.3 -17,-0.2 -17,-0.2 -0.714 37.7 158.8 -88.0 124.1 67.1 5.5 -3.2 40 41 A Y E -I 21 0B 112 -19,-2.7 -19,-2.8 -2,-0.5 2,-0.4 -0.912 45.6-102.0-133.5 160.8 67.9 9.2 -3.6 41 42 A V E +I 20 0B 9 -2,-0.3 -21,-0.3 -21,-0.2 2,-0.2 -0.708 52.4 168.5 -75.9 138.3 70.9 11.2 -5.0 42 43 A G E +I 19 0B 0 -23,-2.7 -23,-2.8 -2,-0.4 4,-0.1 -0.701 21.3 111.1-136.5-167.8 72.9 12.6 -2.0 43 44 A G S > S- 0 0 10 -25,-0.2 4,-2.9 -2,-0.2 5,-0.3 0.227 70.1 -99.4 103.2 131.3 76.2 14.3 -1.2 44 45 A S H > S+ 0 0 10 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.906 119.5 40.8 -52.5 -56.6 76.4 17.9 -0.1 45 46 A P H > S+ 0 0 2 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.874 116.0 52.0 -64.5 -34.4 77.3 19.6 -3.4 46 47 A A H > S+ 0 0 0 -29,-1.4 4,-2.7 2,-0.2 5,-0.3 0.930 110.6 47.9 -57.9 -49.7 74.8 17.4 -5.3 47 48 A N H X S+ 0 0 29 -4,-2.9 4,-2.6 1,-0.2 5,-0.2 0.872 109.9 53.4 -58.5 -39.7 72.0 18.3 -2.9 48 49 A I H X S+ 0 0 0 -4,-2.1 4,-2.3 -5,-0.3 -2,-0.2 0.939 112.3 43.2 -66.4 -44.7 72.9 22.0 -3.2 49 50 A V H X S+ 0 0 0 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.883 114.5 49.6 -70.3 -35.6 72.7 22.0 -7.0 50 51 A I H X S+ 0 0 15 -4,-2.7 4,-2.0 2,-0.2 -2,-0.2 0.927 113.8 46.6 -65.7 -44.3 69.5 19.9 -7.0 51 52 A G H X S+ 0 0 3 -4,-2.6 4,-1.5 -5,-0.3 -2,-0.2 0.906 111.4 52.1 -61.5 -42.2 67.9 22.2 -4.5 52 53 A S H <>S+ 0 0 0 -4,-2.3 5,-2.5 -5,-0.2 4,-0.3 0.900 107.8 51.0 -60.5 -41.6 69.1 25.2 -6.5 53 54 A S H ><5S+ 0 0 22 -4,-2.1 3,-1.6 1,-0.2 -1,-0.2 0.894 105.0 57.0 -65.7 -38.7 67.5 23.9 -9.7 54 55 A K H 3<5S+ 0 0 106 -4,-2.0 256,-0.4 1,-0.3 -1,-0.2 0.848 105.6 51.6 -61.4 -33.1 64.2 23.4 -7.9 55 56 A L T 3<5S- 0 0 10 -4,-1.5 -1,-0.3 254,-0.1 -2,-0.2 0.506 127.8-101.7 -77.8 -4.6 64.4 27.1 -7.0 56 57 A G T < 5S+ 0 0 61 -3,-1.6 -3,-0.2 1,-0.3 2,-0.2 0.519 75.4 139.2 96.2 8.0 64.9 27.9 -10.7 57 58 A L < - 0 0 10 -5,-2.5 2,-0.7 -6,-0.1 -1,-0.3 -0.536 57.5-118.2 -78.8 154.9 68.7 28.6 -10.7 58 59 A K - 0 0 64 -2,-0.2 -47,-2.6 25,-0.1 -46,-1.6 -0.862 43.6-175.7 -93.4 116.2 70.7 27.2 -13.6 59 60 A A E -b 12 0A 1 -2,-0.7 25,-3.1 23,-0.4 2,-0.2 -0.843 16.8-176.3-120.9 147.6 73.2 24.8 -12.1 60 61 A G E -bc 13 84A 0 -48,-2.0 -46,-1.8 -2,-0.3 2,-0.3 -0.779 12.5-144.7-129.6 178.6 76.1 22.7 -13.2 61 62 A F E -b 14 0A 1 23,-0.6 2,-0.5 -48,-0.3 26,-0.5 -0.998 12.7-158.1-154.2 138.9 78.4 20.1 -11.6 62 63 A I E +b 15 0A 0 -48,-2.7 -46,-2.0 -2,-0.3 2,-0.3 -0.980 47.9 117.1-117.1 111.4 82.0 18.9 -11.6 63 64 A G E -l 88 0C 1 24,-1.3 26,-2.9 -2,-0.5 2,-0.4 -0.990 56.5-110.9-167.1 166.6 82.3 15.4 -10.2 64 65 A K E -l 89 0C 12 -48,-0.4 -46,-0.4 -2,-0.3 2,-0.3 -0.899 29.9-173.2-110.4 136.0 83.1 11.7 -10.7 65 66 A I E -l 90 0C 8 24,-2.6 26,-3.1 -2,-0.4 30,-0.1 -0.872 28.3 -97.7-125.7 156.6 80.6 9.0 -10.8 66 67 A A - 0 0 1 -2,-0.3 2,-1.5 24,-0.2 30,-0.1 -0.337 29.9-118.2 -72.6 152.0 80.8 5.1 -11.0 67 68 A D S S+ 0 0 97 28,-0.4 2,-0.3 24,-0.3 -1,-0.1 -0.549 86.4 74.0 -87.6 67.9 80.4 3.2 -14.2 68 69 A D S > S- 0 0 29 -2,-1.5 4,-2.7 1,-0.0 5,-0.2 -0.893 102.2 -68.1-162.0-175.1 77.4 1.4 -13.0 69 70 A Q H > S+ 0 0 136 -2,-0.3 4,-1.8 1,-0.2 5,-0.1 0.788 126.4 52.5 -63.6 -29.0 73.6 1.7 -12.3 70 71 A H H > S+ 0 0 68 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.947 111.5 45.2 -72.9 -44.9 74.2 4.0 -9.3 71 72 A G H > S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.919 114.2 49.9 -60.8 -42.6 76.3 6.4 -11.3 72 73 A R H X S+ 0 0 126 -4,-2.7 4,-2.6 1,-0.2 -1,-0.2 0.876 109.5 51.3 -68.5 -34.4 73.9 6.3 -14.2 73 74 A F H X S+ 0 0 49 -4,-1.8 4,-3.0 -5,-0.2 5,-0.3 0.918 108.9 50.8 -61.0 -46.0 71.0 7.0 -11.9 74 75 A I H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 5,-0.3 0.944 113.9 44.9 -58.9 -47.9 72.8 10.0 -10.4 75 76 A E H X S+ 0 0 40 -4,-2.3 4,-2.4 1,-0.2 5,-0.2 0.935 115.8 46.3 -62.7 -46.3 73.4 11.4 -13.9 76 77 A S H X S+ 0 0 53 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.882 114.1 47.6 -65.9 -40.0 69.9 10.7 -15.1 77 78 A Y H X S+ 0 0 86 -4,-3.0 4,-1.5 2,-0.2 6,-0.2 0.939 113.3 46.5 -64.8 -52.5 68.3 12.2 -12.0 78 79 A X H <>S+ 0 0 0 -4,-2.5 5,-2.7 -5,-0.3 3,-0.4 0.933 115.1 47.3 -57.4 -45.3 70.4 15.4 -11.9 79 80 A R H ><5S+ 0 0 134 -4,-2.4 3,-1.4 -5,-0.3 -1,-0.2 0.905 109.0 55.5 -60.2 -41.3 69.8 15.9 -15.7 80 81 A G H 3<5S+ 0 0 65 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.756 106.8 49.3 -67.6 -26.3 66.1 15.2 -15.2 81 82 A V T 3<5S- 0 0 50 -4,-1.5 -1,-0.3 -3,-0.4 -2,-0.2 0.320 127.5 -97.2 -96.2 7.5 65.8 18.0 -12.5 82 83 A G T < 5S+ 0 0 48 -3,-1.4 -23,-0.4 1,-0.3 2,-0.3 0.554 76.2 139.5 98.7 11.3 67.6 20.5 -14.8 83 84 A V < - 0 0 4 -5,-2.7 2,-0.4 -6,-0.2 -1,-0.3 -0.698 58.4-115.1 -82.4 137.4 71.2 20.3 -13.6 84 85 A D B -c 60 0A 49 -25,-3.1 -23,-0.6 -2,-0.3 3,-0.2 -0.618 31.8-178.3 -70.6 125.9 73.9 20.3 -16.3 85 86 A T > + 0 0 23 -2,-0.4 3,-1.7 1,-0.1 -1,-0.1 0.208 47.5 112.3-111.6 13.5 75.7 16.9 -16.2 86 87 A S T 3 S+ 0 0 72 1,-0.3 -1,-0.1 -24,-0.0 -24,-0.1 0.726 80.6 46.0 -58.0 -25.3 78.2 17.6 -19.1 87 88 A N T 3 S+ 0 0 31 -26,-0.5 -24,-1.3 -3,-0.2 2,-0.5 0.080 78.8 116.4-114.3 21.7 81.2 17.6 -16.6 88 89 A L E < -l 63 0C 22 -3,-1.7 2,-0.4 -26,-0.2 -24,-0.2 -0.791 55.9-152.5 -80.1 129.0 80.3 14.5 -14.7 89 90 A V E -l 64 0C 37 -26,-2.9 -24,-2.6 -2,-0.5 2,-0.5 -0.905 7.9-130.0-109.8 137.5 83.1 12.1 -15.4 90 91 A V E -l 65 0C 52 -2,-0.4 -24,-0.2 -26,-0.2 2,-0.1 -0.719 23.5-124.2 -90.3 124.1 82.7 8.4 -15.4 91 92 A D - 0 0 2 -26,-3.1 -24,-0.3 -2,-0.5 3,-0.2 -0.445 21.3-170.2 -64.4 133.7 85.3 6.5 -13.3 92 93 A Q S S+ 0 0 148 -2,-0.1 -1,-0.1 1,-0.1 -26,-0.1 0.131 70.9 74.9-113.4 19.0 87.1 3.9 -15.4 93 94 A E S S- 0 0 131 2,-0.1 -1,-0.1 27,-0.0 -2,-0.0 0.132 110.0 -99.7-120.4 15.2 88.9 2.1 -12.5 94 95 A G + 0 0 64 1,-0.2 2,-0.1 -3,-0.2 -28,-0.1 0.594 65.6 158.2 81.3 10.2 86.1 0.2 -10.9 95 96 A H - 0 0 30 -30,-0.1 -28,-0.4 24,-0.1 -1,-0.2 -0.467 33.0-131.9 -72.9 141.1 85.4 2.6 -8.0 96 97 A K - 0 0 142 22,-0.4 24,-2.8 21,-0.2 25,-0.3 -0.513 20.6-101.0 -89.8 157.4 82.0 2.4 -6.4 97 98 A T - 0 0 12 22,-0.2 -78,-0.1 -2,-0.2 -1,-0.1 -0.516 42.9-107.0 -71.2 137.4 79.6 5.2 -5.5 98 99 A G - 0 0 0 -80,-0.2 -78,-2.2 -2,-0.2 2,-0.4 -0.341 36.3-151.3 -63.0 152.8 79.5 6.3 -1.9 99 100 A L E -jK 20 115B 34 16,-1.7 16,-2.9 -80,-0.2 2,-0.5 -0.990 13.4-165.6-131.8 135.2 76.5 5.2 0.0 100 101 A A E -jK 21 114B 2 -80,-2.3 -78,-3.2 -2,-0.4 2,-0.5 -0.959 5.2-166.3-120.7 111.7 74.7 6.8 3.0 101 102 A F E -jK 22 113B 43 12,-2.7 12,-2.7 -2,-0.5 2,-0.4 -0.856 20.1-141.8 -91.4 129.7 72.2 4.6 4.9 102 103 A T E - K 0 112B 0 -80,-2.4 -78,-0.5 -2,-0.5 2,-0.5 -0.745 13.6-163.8-102.6 135.6 70.1 6.8 7.1 103 104 A E E - K 0 111B 26 8,-3.1 8,-2.2 -2,-0.4 2,-0.5 -0.984 4.1-173.8-112.4 131.2 69.0 5.9 10.6 104 105 A I E + K 0 110B 9 -75,-0.5 -75,-1.9 -2,-0.5 -76,-1.5 -0.901 13.1 166.4-122.2 94.2 66.2 7.9 12.3 105 106 A K E S- 0 0 115 4,-2.8 5,-0.2 -2,-0.5 -1,-0.1 0.876 76.3 -30.7 -73.7 -34.5 65.8 6.6 15.8 106 107 A S E > S- K 0 109B 31 3,-1.0 3,-1.8 -3,-0.1 -1,-0.4 -0.923 77.8 -80.8-167.5 167.1 63.7 9.7 16.6 107 108 A P T 3 S+ 0 0 40 0, 0.0 159,-0.2 0, 0.0 3,-0.1 0.847 133.0 44.7 -47.8 -33.3 63.5 13.3 15.4 108 109 A E T 3 S+ 0 0 164 1,-0.2 2,-0.4 155,-0.1 157,-0.1 0.441 109.4 58.3 -93.0 -4.6 66.4 14.1 17.8 109 110 A E E < +K 106 0B 40 -3,-1.8 -4,-2.8 2,-0.0 -3,-1.0 -0.796 62.9 144.9-132.8 91.4 68.5 11.0 16.9 110 111 A C E +K 104 0B 31 -2,-0.4 2,-0.3 -6,-0.2 -6,-0.2 -0.965 13.6 158.8-124.2 144.3 69.5 10.7 13.2 111 112 A S E -K 103 0B 57 -8,-2.2 -8,-3.1 -2,-0.3 2,-0.4 -0.959 29.9-122.7-158.5 167.9 72.8 9.3 11.8 112 113 A I E -K 102 0B 65 -2,-0.3 2,-0.7 -10,-0.2 -10,-0.2 -0.954 4.6-148.4-123.7 134.6 74.3 7.8 8.7 113 114 A L E -K 101 0B 92 -12,-2.7 -12,-2.7 -2,-0.4 2,-0.4 -0.940 37.3-156.5 -93.6 111.7 76.1 4.5 8.1 114 115 A X E -K 100 0B 28 -2,-0.7 2,-0.7 -14,-0.2 -14,-0.2 -0.788 28.2-160.4-103.8 136.0 78.5 5.6 5.4 115 116 A Y E +K 99 0B 135 -16,-2.9 -16,-1.7 -2,-0.4 -2,-0.0 -0.961 40.6 141.2-104.1 104.1 80.3 3.6 2.7 116 117 A R > + 0 0 76 -2,-0.7 3,-1.1 -18,-0.2 2,-0.3 0.481 19.6 119.2-127.5 -8.7 83.1 6.2 1.8 117 118 A Q T 3 S- 0 0 165 1,-0.3 -21,-0.2 -3,-0.1 63,-0.0 -0.466 94.3 -18.3 -74.4 124.6 86.4 4.2 1.2 118 119 A D T 3 S+ 0 0 83 -2,-0.3 -22,-0.4 1,-0.2 -1,-0.3 0.830 90.7 172.4 53.5 36.6 87.9 4.6 -2.3 119 120 A V X - 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0 0 74 -5,-2.6 4,-0.5 -6,-0.2 -4,-0.2 0.648 63.2-126.2 -81.4 -15.2 67.3 40.0 -2.0 286 287 A G > - 0 0 35 -6,-0.4 4,-2.2 -5,-0.3 -1,-0.2 -0.045 27.3 -74.2 87.5 165.1 70.2 41.1 0.1 287 288 A I H > S+ 0 0 30 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.901 124.2 53.9 -69.6 -43.8 72.0 39.3 3.0 288 289 A E H > S+ 0 0 101 1,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.941 115.6 40.6 -61.2 -42.5 69.4 39.8 5.7 289 290 A T H >> S+ 0 0 56 -4,-0.5 4,-2.0 1,-0.2 3,-0.6 0.878 108.6 61.0 -70.0 -38.2 66.7 38.3 3.6 290 291 A A H 3X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 5,-0.2 0.872 99.0 57.9 -55.8 -39.6 69.0 35.6 2.3 291 292 A L H 3X S+ 0 0 0 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.874 105.7 50.0 -58.5 -35.3 69.4 34.3 5.8 292 293 A K H X S+ 0 0 14 -4,-2.2 4,-2.4 1,-0.2 3,-1.0 0.931 108.1 53.6 -69.0 -42.7 61.1 22.6 5.3 301 302 A V H 3< S+ 0 0 17 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.868 110.6 46.6 -64.2 -33.1 63.5 19.9 4.2 302 303 A V H 3< S+ 0 0 10 -4,-1.5 -38,-3.5 -5,-0.2 -37,-1.5 0.608 117.7 42.5 -83.5 -9.5 63.7 18.4 7.8 303 304 A S H << 0 0 44 -3,-1.0 -2,-0.2 -4,-0.7 -1,-0.2 0.615 360.0 360.0-112.3 -23.5 59.9 18.4 8.2 304 305 A K < 0 0 91 -4,-2.4 -2,-0.2 2,-0.1 -3,-0.1 0.846 360.0 360.0 -63.0 360.0 58.8 17.2 4.8 305 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 306 311 A A 0 0 94 0, 0.0 -2,-0.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 21.2 61.1 16.7 -1.7 307 312 A X - 0 0 36 1,-0.1 -10,-0.0 -3,-0.1 -260,-0.0 -0.571 360.0 -86.9 -76.6 149.8 63.3 19.8 -1.6 308 313 A P - 0 0 2 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.222 33.6-138.5 -59.8 146.6 61.5 23.1 -1.0 309 314 A S > - 0 0 20 1,-0.1 4,-2.5 -3,-0.1 5,-0.2 -0.614 27.4-111.8 -86.3 159.4 60.0 25.2 -3.6 310 315 A V H > S+ 0 0 16 -256,-0.4 4,-3.0 -2,-0.2 5,-0.2 0.912 120.7 54.1 -53.3 -44.9 60.3 29.0 -3.7 311 316 A E H > S+ 0 0 138 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.903 108.7 46.8 -58.7 -43.6 56.6 29.2 -2.9 312 317 A E H > S+ 0 0 72 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.914 113.8 48.6 -65.2 -44.7 56.9 26.9 0.2 313 318 A I H X S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.944 113.4 46.9 -58.4 -49.0 60.0 28.9 1.4 314 319 A E H X S+ 0 0 66 -4,-3.0 4,-2.7 1,-0.2 -2,-0.2 0.879 110.1 51.9 -67.0 -36.6 58.2 32.3 1.0 315 320 A A H X S+ 0 0 62 -4,-2.2 4,-2.3 -5,-0.2 -1,-0.2 0.873 110.8 48.8 -63.7 -39.2 55.0 31.1 2.7 316 321 A L H X>S+ 0 0 37 -4,-1.8 4,-1.8 2,-0.2 5,-0.6 0.908 111.4 49.6 -69.5 -41.4 57.0 29.9 5.7 317 322 A I H <5S+ 0 0 33 -4,-2.3 -2,-0.2 2,-0.2 -1,-0.2 0.924 111.7 48.7 -60.6 -45.4 58.9 33.3 5.8 318 323 A E H <5S+ 0 0 106 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.905 106.9 54.7 -62.1 -41.9 55.5 35.1 5.6 319 324 A K H <5S- 0 0 140 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.861 92.9-162.3 -62.2 -34.6 54.1 32.9 8.4 320 325 A D T <5 + 0 0 99 -4,-1.8 2,-1.1 1,-0.2 -3,-0.1 0.844 27.6 157.6 60.2 44.7 57.2 34.1 10.5 321 326 A E < + 0 0 94 -5,-0.6 -61,-2.7 -61,-0.1 2,-0.2 -0.790 23.4 155.9 -98.9 88.4 57.1 31.4 13.1 322 327 A T B -M 259 0D 23 -2,-1.1 2,-0.5 -63,-0.3 -63,-0.3 -0.630 46.1-109.6-115.2 168.7 60.8 31.6 14.2 323 328 A I + 0 0 39 -65,-2.8 -65,-0.4 -2,-0.2 -2,-0.0 -0.897 43.8 150.5-102.0 123.3 62.8 30.7 17.3 324 329 A T + 0 0 108 -2,-0.5 -1,-0.1 -67,-0.1 -82,-0.0 0.368 56.1 80.4-129.0 2.2 64.2 33.7 19.2 325 330 A I 0 0 165 -84,-0.1 -83,-0.1 0, 0.0 -2,-0.0 0.876 360.0 360.0 -85.1 -34.9 64.3 32.4 22.8 326 331 A A 0 0 80 -85,-0.3 -3,-0.0 0, 0.0 0, 0.0 -0.293 360.0 360.0 -64.7 360.0 67.6 30.5 22.3