==== 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 17-OCT-05 2C49 . COMPND 2 MOLECULE: SUGAR KINASE MJ0406; . SOURCE 2 ORGANISM_SCIENTIFIC: METHANOCOCCUS JANNASCHII; . AUTHOR L.ARNFORS,T.HANSEN,W.MEINING,P.SCHOENHEIT,R.LADENSTEIN . 597 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25683.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 448 75.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 91 15.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 45 7.5 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 . 4 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 49 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 63 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 157 26.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.3 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 0 2 0 0 3 1 2 6 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 4 0 3 7 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 PARALLEL BRIDGES PER LADDER . 0 0 0 5 1 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 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 2 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 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 G 0 0 34 0, 0.0 128,-0.3 0, 0.0 127,-0.1 0.000 360.0 360.0 360.0 126.5 68.2 12.0 74.6 2 4 A K + 0 0 186 126,-1.7 2,-0.2 151,-0.1 127,-0.2 0.422 360.0 116.3-148.7 -11.9 71.6 10.6 75.2 3 5 A M E S-a 129 0A 104 125,-2.3 2,-2.8 1,-0.1 127,-1.8 -0.551 73.0-118.3 -70.8 135.6 73.0 8.9 72.0 4 6 A E E S+ 0 0 117 -2,-0.2 52,-0.8 125,-0.2 2,-0.3 -0.475 84.3 106.1 -72.1 72.5 76.2 10.7 70.7 5 7 A K E - b 0 56A 29 -2,-2.8 126,-1.2 50,-0.1 125,-1.1 -0.934 63.9-135.3-152.9 156.0 74.2 11.3 67.6 6 8 A I E -ab 131 57A 0 50,-1.8 52,-2.0 -2,-0.3 2,-0.5 -0.996 9.1-146.4-125.4 134.1 72.5 14.3 66.0 7 9 A T E -ab 132 58A 0 124,-3.0 126,-3.8 -2,-0.4 2,-0.5 -0.856 12.2-159.4 -94.6 133.3 69.1 14.5 64.5 8 10 A C E -ab 133 59A 0 50,-2.7 52,-2.5 -2,-0.5 2,-0.4 -0.964 8.3-169.9-113.4 125.2 68.7 16.8 61.5 9 11 A V E +ab 134 60A 0 124,-2.8 126,-3.2 -2,-0.5 2,-0.3 -0.975 42.3 53.3-117.7 132.1 65.1 17.9 60.7 10 12 A G S S- 0 0 0 50,-2.0 126,-0.2 -2,-0.4 127,-0.1 -0.887 82.8 -2.1 138.6-166.7 64.2 19.8 57.5 11 13 A H - 0 0 5 124,-0.5 33,-1.5 -2,-0.3 32,-1.2 -0.233 33.4-168.2 -68.3 138.3 64.5 19.5 53.8 12 14 A T + 0 0 0 50,-0.4 29,-0.3 31,-0.2 2,-0.3 -0.972 34.8 162.9-105.3 133.4 66.2 16.9 51.7 13 15 A A E -I 40 0B 0 27,-1.9 27,-2.4 -2,-0.4 2,-0.4 -0.954 44.1-117.8-150.5 160.2 66.3 18.3 48.1 14 16 A L E -Ij 39 96B 29 81,-1.9 83,-2.3 -2,-0.3 2,-0.4 -0.929 38.8-153.7-103.6 131.1 67.9 18.1 44.6 15 17 A D E -Ij 38 97B 6 23,-3.0 23,-3.0 -2,-0.4 2,-0.4 -0.883 20.3-163.2-113.5 136.2 69.8 21.3 43.7 16 18 A Y E -Ij 37 98B 8 81,-2.6 83,-2.6 -2,-0.4 2,-0.4 -0.951 20.8-165.1-105.1 133.8 70.6 23.0 40.5 17 19 A I E - j 0 99B 9 19,-0.5 2,-0.4 -2,-0.4 83,-0.2 -0.988 6.4-172.6-129.2 122.3 73.4 25.5 41.1 18 20 A F E - j 0 100B 7 81,-3.7 83,-3.1 -2,-0.4 2,-0.5 -0.932 18.5-145.4-124.7 140.1 74.3 28.3 38.6 19 21 A N E + j 0 101B 91 -2,-0.4 2,-0.3 81,-0.2 83,-0.2 -0.885 26.6 168.9 -97.1 126.7 77.0 30.9 38.2 20 22 A V - 0 0 19 81,-2.8 3,-0.1 -2,-0.5 -2,-0.0 -0.919 38.8-133.6-130.2 157.2 75.9 34.2 36.6 21 23 A E S S- 0 0 144 1,-0.4 82,-2.0 -2,-0.3 2,-0.3 0.934 94.5 -0.8 -73.4 -48.4 77.8 37.5 36.3 22 24 A K S S- 0 0 157 80,-0.2 -1,-0.4 81,-0.1 3,-0.1 -0.958 88.9 -96.3-137.9 151.2 74.8 39.4 37.4 23 25 A F - 0 0 38 -2,-0.3 84,-0.0 -3,-0.1 79,-0.0 -0.475 49.4-103.5 -67.2 138.7 71.2 38.3 38.3 24 26 A P - 0 0 22 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.289 32.2-128.8 -64.5 146.6 68.8 38.5 35.4 25 27 A E - 0 0 145 1,-0.2 3,-0.4 -3,-0.1 -3,-0.0 -0.547 41.5 -73.3 -85.8 158.8 66.3 41.4 35.4 26 28 A P S S+ 0 0 71 0, 0.0 382,-0.2 0, 0.0 -1,-0.2 -0.221 116.4 22.9 -40.4 135.6 62.5 40.9 34.9 27 29 A N S S+ 0 0 96 380,-1.8 2,-0.3 1,-0.3 381,-0.2 0.898 99.0 111.1 71.9 49.1 61.4 40.0 31.4 28 30 A T E -m 408 0C 57 379,-0.8 381,-2.0 -3,-0.4 2,-0.4 -0.947 53.9-139.3-152.1 150.4 64.7 38.6 30.2 29 31 A S E -m 409 0C 77 -2,-0.3 2,-0.4 379,-0.2 381,-0.2 -0.963 11.5-169.7-125.3 146.7 66.1 35.2 29.2 30 32 A I E -m 410 0C 69 379,-2.2 381,-3.1 -2,-0.4 2,-0.5 -0.976 16.2-138.0-129.6 139.4 69.5 33.6 29.9 31 33 A Q E -m 411 0C 90 -2,-0.4 381,-0.2 379,-0.2 366,-0.0 -0.898 10.6-154.3 -97.5 132.4 70.9 30.4 28.4 32 34 A I E -m 412 0C 13 379,-3.9 381,-3.0 -2,-0.5 382,-0.6 -0.913 4.2-153.9-101.7 115.5 72.7 28.0 30.7 33 35 A P S S+ 0 0 96 0, 0.0 381,-1.6 0, 0.0 2,-0.3 0.928 73.8 2.1 -52.1 -48.7 75.3 25.9 28.8 34 36 A S - 0 0 68 379,-0.2 2,-0.3 378,-0.1 358,-0.1 -0.999 61.7-177.4-151.6 135.0 75.2 22.9 31.2 35 37 A A - 0 0 9 -2,-0.3 358,-0.6 -3,-0.1 2,-0.3 -0.997 2.8-178.1-142.4 151.9 73.5 21.8 34.4 36 38 A R - 0 0 135 -2,-0.3 -19,-0.5 -19,-0.2 2,-0.3 -0.952 28.1-118.6-140.2 145.6 73.6 19.0 36.8 37 39 A K E -I 16 0B 61 -2,-0.3 2,-0.3 -21,-0.1 -21,-0.2 -0.754 28.9-159.0 -92.1 143.5 71.5 18.2 39.9 38 40 A Y E -I 15 0B 38 -23,-3.0 -23,-3.0 -2,-0.3 2,-0.2 -0.917 28.9-100.2-120.0 146.6 73.3 17.9 43.2 39 41 A Y E +I 14 0B 82 -2,-0.3 243,-0.5 -25,-0.2 242,-0.4 -0.483 66.8 142.1 -59.8 127.7 72.3 16.2 46.5 40 42 A G E +I 13 0B 0 -27,-2.4 -27,-1.9 -2,-0.2 4,-0.2 -0.658 17.5 125.4-152.2-160.4 71.1 19.1 48.6 41 43 A G > - 0 0 7 -29,-0.3 4,-3.1 -2,-0.2 5,-0.2 0.502 61.6-108.7 87.4 121.9 68.6 20.3 51.2 42 44 A A H > S+ 0 0 7 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.818 115.4 47.3 -48.0 -43.4 69.9 21.9 54.5 43 45 A A H > S+ 0 0 0 -32,-1.2 4,-2.5 92,-0.4 -1,-0.2 0.932 116.2 43.5 -72.1 -43.3 69.0 19.1 56.8 44 46 A A H > S+ 0 0 0 -33,-1.5 4,-2.8 2,-0.2 5,-0.2 0.908 111.8 54.8 -64.3 -41.5 70.4 16.4 54.6 45 47 A N H X S+ 0 0 6 -4,-3.1 4,-2.3 1,-0.2 -1,-0.2 0.910 112.7 43.2 -59.1 -44.7 73.5 18.5 53.9 46 48 A T H X S+ 0 0 0 -4,-2.0 4,-2.8 -5,-0.2 -1,-0.2 0.915 112.0 52.5 -67.4 -44.5 74.1 18.8 57.6 47 49 A A H X S+ 0 0 1 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.910 112.1 46.4 -61.0 -42.3 73.4 15.2 58.3 48 50 A V H X S+ 0 0 8 -4,-2.8 4,-2.4 2,-0.2 -2,-0.2 0.910 113.0 48.8 -63.5 -45.8 75.9 14.1 55.6 49 51 A G H X S+ 0 0 1 -4,-2.3 4,-1.8 -5,-0.2 -2,-0.2 0.912 110.5 51.8 -62.9 -39.3 78.6 16.5 56.9 50 52 A I H <>S+ 0 0 0 -4,-2.8 5,-1.8 2,-0.2 3,-0.2 0.956 111.5 46.1 -59.0 -51.5 78.1 15.3 60.5 51 53 A K H ><5S+ 0 0 46 -4,-2.1 3,-2.0 1,-0.2 -1,-0.2 0.902 109.5 54.2 -59.2 -42.9 78.5 11.7 59.4 52 54 A K H 3<5S+ 0 0 95 -4,-2.4 236,-0.6 1,-0.3 -1,-0.2 0.869 104.6 55.9 -61.5 -33.0 81.6 12.5 57.4 53 55 A L T 3<5S- 0 0 2 -4,-1.8 -1,-0.3 234,-0.2 -2,-0.2 0.375 126.7-102.0 -79.7 2.4 83.0 14.1 60.5 54 56 A G T < 5S+ 0 0 58 -3,-2.0 2,-0.4 1,-0.3 -3,-0.2 0.711 84.3 120.5 88.0 23.6 82.6 10.8 62.4 55 57 A V < - 0 0 5 -5,-1.8 -1,-0.3 -6,-0.1 -2,-0.2 -0.969 66.7-115.1-117.4 131.8 79.4 11.6 64.4 56 58 A N E -b 5 0A 83 -52,-0.8 -50,-1.8 -2,-0.4 2,-0.3 -0.433 39.6-174.0 -66.2 139.6 76.3 9.4 63.8 57 59 A S E -b 6 0A 1 23,-0.3 25,-2.1 -52,-0.2 2,-0.3 -0.942 16.5-158.8-134.6 155.4 73.3 11.3 62.3 58 60 A E E -bc 7 82A 8 -52,-2.0 -50,-2.7 -2,-0.3 2,-0.4 -0.965 13.8-142.0-130.2 153.3 69.7 10.7 61.5 59 61 A L E -b 8 0A 0 23,-2.7 26,-0.5 -2,-0.3 2,-0.5 -0.944 12.5-172.7-122.3 134.5 67.5 12.5 59.1 60 62 A L E +b 9 0A 7 -52,-2.5 -50,-2.0 -2,-0.4 2,-0.3 -0.979 33.2 131.2-121.9 112.8 63.8 13.5 59.2 61 63 A S - 0 0 0 -2,-0.5 26,-2.5 -52,-0.2 2,-0.7 -0.973 57.0-110.7-151.3 161.1 62.5 15.0 56.0 62 64 A C E -q 87 0D 0 -2,-0.3 -50,-0.4 24,-0.2 2,-0.2 -0.905 41.1-175.0 -96.7 118.8 59.5 14.6 53.7 63 65 A V E -q 88 0D 0 24,-3.3 26,-2.8 -2,-0.7 29,-0.2 -0.684 13.7-122.9-111.5 165.9 60.7 13.1 50.4 64 66 A G > - 0 0 1 2,-0.3 4,-0.6 -2,-0.2 29,-0.3 -0.141 38.0 -81.3-100.4-171.8 58.8 12.5 47.2 65 67 A Y T 4 S+ 0 0 137 27,-2.1 2,-0.8 1,-0.3 28,-0.1 0.671 122.9 68.8 -63.4 -20.2 57.9 9.7 44.8 66 68 A D T 4 S+ 0 0 40 26,-0.3 -2,-0.3 1,-0.1 -1,-0.3 -0.484 94.5 59.9 -90.8 58.4 61.4 10.3 43.3 67 69 A F T >4 + 0 0 0 -2,-0.8 3,-3.3 1,-0.3 6,-0.5 0.409 67.0 89.0-142.7 -60.8 63.0 8.9 46.5 68 70 A K T 3< S- 0 0 120 -4,-0.6 -1,-0.3 1,-0.3 3,-0.1 -0.271 116.8 -3.3 -47.2 120.1 62.2 5.3 47.5 69 71 A N T 3 S+ 0 0 131 1,-0.2 -1,-0.3 -3,-0.1 2,-0.1 0.642 107.0 126.2 61.5 20.8 64.9 3.3 45.6 70 72 A S S <> S- 0 0 61 -3,-3.3 4,-2.0 1,-0.1 -1,-0.2 -0.369 77.5 -93.2 -94.9-175.3 66.4 6.3 43.8 71 73 A G H > S+ 0 0 40 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.864 121.9 53.5 -66.3 -38.4 70.0 7.4 43.7 72 74 A Y H > S+ 0 0 9 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.943 109.6 47.6 -63.5 -46.2 69.7 9.8 46.7 73 75 A E H > S+ 0 0 2 -6,-0.5 4,-2.6 1,-0.2 5,-0.2 0.939 112.5 47.8 -60.5 -47.0 68.2 7.2 49.0 74 76 A R H X S+ 0 0 158 -4,-2.0 4,-2.6 1,-0.2 -1,-0.2 0.873 111.5 53.1 -64.4 -35.3 70.9 4.5 48.1 75 77 A Y H X S+ 0 0 62 -4,-1.9 4,-1.4 2,-0.2 -1,-0.2 0.890 110.6 44.9 -64.4 -47.3 73.6 7.2 48.7 76 78 A L H <>S+ 0 0 1 -4,-2.3 5,-1.8 2,-0.2 -2,-0.2 0.902 114.1 50.2 -65.1 -40.3 72.3 8.1 52.1 77 79 A K H ><5S+ 0 0 101 -4,-2.6 3,-2.0 1,-0.2 -2,-0.2 0.920 107.3 53.4 -65.8 -41.7 72.0 4.4 53.0 78 80 A N H 3<5S+ 0 0 113 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.845 104.9 57.2 -58.4 -34.0 75.5 3.8 51.8 79 81 A L T 3<5S- 0 0 55 -4,-1.4 -1,-0.3 -5,-0.1 -2,-0.2 0.484 111.9-121.9 -73.0 -2.2 76.6 6.5 54.2 80 82 A D T < 5 + 0 0 120 -3,-2.0 2,-0.5 1,-0.2 -23,-0.3 0.819 57.8 155.8 57.4 34.0 75.0 4.7 57.2 81 83 A I < - 0 0 6 -5,-1.8 2,-0.7 -25,-0.1 -1,-0.2 -0.804 51.5-116.9 -90.6 125.5 72.8 7.8 57.8 82 84 A N B +c 58 0A 47 -25,-2.1 -23,-2.7 -2,-0.5 3,-0.2 -0.519 46.6 161.8 -66.1 108.6 69.7 6.7 59.7 83 85 A I > + 0 0 18 -2,-0.7 3,-1.6 -25,-0.2 -1,-0.2 0.132 37.3 113.0-114.9 22.9 66.9 7.5 57.3 84 86 A S T 3 S+ 0 0 95 1,-0.3 -1,-0.1 -24,-0.0 -24,-0.1 0.720 72.5 55.6 -68.9 -23.6 64.3 5.3 59.0 85 87 A K T 3 S+ 0 0 68 -26,-0.5 -1,-0.3 -3,-0.2 -2,-0.1 0.396 80.5 125.3 -89.4 1.1 62.1 8.3 60.1 86 88 A L < - 0 0 16 -3,-1.6 2,-0.6 -27,-0.1 -24,-0.2 -0.275 56.0-136.3 -63.8 147.0 61.7 9.8 56.5 87 89 A Y E -q 62 0D 71 -26,-2.5 -24,-3.3 35,-0.0 2,-0.5 -0.925 15.6-158.8-102.7 120.4 58.3 10.4 55.1 88 90 A Y E -q 63 0D 56 -2,-0.6 -24,-0.2 -26,-0.2 -23,-0.1 -0.885 10.5-144.2-100.0 122.4 57.8 9.3 51.5 89 91 A S - 0 0 9 -26,-2.8 -22,-0.1 -2,-0.5 5,-0.1 -0.361 6.1-149.1 -76.6 159.8 55.0 10.9 49.6 90 92 A E S S+ 0 0 160 -2,-0.1 -1,-0.1 3,-0.0 -26,-0.1 0.547 93.8 16.0-103.0 -8.8 53.0 9.0 47.1 91 93 A E S S+ 0 0 138 2,-0.1 2,-0.3 24,-0.0 -27,-0.1 0.519 106.1 82.7-139.6 -18.4 52.2 12.0 44.8 92 94 A E S S- 0 0 61 -29,-0.2 -27,-2.1 23,-0.1 -26,-0.3 -0.721 71.2-124.2 -94.8 150.5 54.5 14.9 45.6 93 95 A E - 0 0 56 -2,-0.3 22,-2.7 -29,-0.3 3,-0.1 -0.486 35.9 -88.9 -85.8 156.1 58.0 15.2 44.3 94 96 A T - 0 0 0 20,-0.2 -31,-0.1 -2,-0.2 -1,-0.1 -0.369 60.0 -91.0 -56.2 141.1 61.2 15.6 46.3 95 97 A P - 0 0 0 0, 0.0 -81,-1.9 0, 0.0 2,-0.4 -0.221 47.5-158.6 -55.1 149.3 61.8 19.4 47.0 96 98 A K E -jK 14 112B 17 16,-1.5 16,-3.2 -83,-0.2 2,-0.4 -0.991 7.9-156.5-140.1 142.6 64.0 21.1 44.5 97 99 A A E -jK 15 111B 6 -83,-2.3 -81,-2.6 -2,-0.4 2,-0.5 -0.945 8.6-160.1-123.5 140.0 66.2 24.3 44.5 98 100 A W E -jK 16 110B 9 12,-2.8 12,-2.0 -2,-0.4 2,-0.5 -0.982 23.2-170.3-115.2 114.4 67.4 26.6 41.7 99 101 A I E -jK 17 109B 10 -83,-2.6 -81,-3.7 -2,-0.5 2,-0.5 -0.922 7.6-167.3-118.3 123.5 70.4 28.5 43.1 100 102 A F E -jK 18 108B 0 8,-2.5 8,-1.9 -2,-0.5 2,-0.5 -0.949 0.6-166.8-116.5 130.6 72.0 31.4 41.4 101 103 A T E -jK 19 107B 1 -83,-3.1 -81,-2.8 -2,-0.5 6,-0.2 -0.977 9.3-153.0-117.5 123.3 75.3 32.8 42.4 102 104 A D > - 0 0 15 4,-2.6 3,-2.0 -2,-0.5 -81,-0.2 -0.281 38.5 -89.3 -88.0 179.7 76.5 36.2 41.0 103 105 A K T 3 S+ 0 0 129 -82,-2.0 -81,-0.1 1,-0.3 -82,-0.1 0.667 129.6 49.4 -65.9 -20.7 80.1 37.4 40.5 104 106 A D T 3 S- 0 0 111 -83,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.055 121.2-109.0-101.1 20.6 80.2 38.9 44.1 105 107 A N < + 0 0 84 -3,-2.0 2,-0.2 1,-0.2 -2,-0.1 0.712 69.3 147.0 45.6 29.7 78.9 35.5 45.5 106 108 A N - 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0 0 21 3,-2.7 -14,-0.2 -2,-0.5 -19,-0.1 -0.790 52.8 -95.4-121.3 176.6 76.7 33.7 74.8 223 225 A K S S+ 0 0 112 -16,-0.5 -15,-0.1 -2,-0.3 3,-0.1 0.818 125.6 37.7 -58.4 -27.9 75.3 35.3 77.9 224 226 A D S S+ 0 0 144 1,-0.2 2,-0.3 0, 0.0 -1,-0.2 0.824 121.0 2.4 -93.2 -36.7 78.9 35.7 79.1 225 227 A K - 0 0 116 2,-0.0 -3,-2.7 -5,-0.0 2,-0.5 -0.930 52.4-118.8-154.1 169.2 80.9 36.6 76.0 226 228 A K E -H 221 0A 130 -2,-0.3 2,-0.6 -5,-0.2 -5,-0.2 -0.973 28.8-164.7-118.1 120.7 81.4 37.5 72.4 227 229 A I E -H 220 0A 12 -7,-3.1 -7,-3.0 -2,-0.5 2,-0.5 -0.944 7.5-150.1-112.5 118.3 83.6 35.0 70.5 228 230 A E E -H 219 0A 136 -2,-0.6 -9,-0.2 -9,-0.2 -11,-0.1 -0.736 9.4-162.3 -89.4 125.6 84.9 36.1 67.1 229 231 A I E -H 218 0A 4 -11,-3.3 -11,-2.6 -2,-0.5 3,-0.0 -0.933 13.4-136.4-110.5 120.8 85.6 33.3 64.6 230 232 A P - 0 0 50 0, 0.0 2,-0.5 0, 0.0 -13,-0.2 -0.194 22.3-106.9 -69.5 158.5 87.8 34.0 61.6 231 233 A C - 0 0 60 -16,-0.2 2,-0.6 -15,-0.1 39,-0.1 -0.783 35.5-138.9 -78.9 133.2 87.1 32.9 58.1 232 234 A I - 0 0 9 -2,-0.5 -15,-0.1 37,-0.3 63,-0.1 -0.879 24.6-108.8-100.1 121.0 89.5 30.1 57.4 233 235 A K - 0 0 187 -2,-0.6 2,-0.2 1,-0.1 40,-0.1 -0.126 30.7-155.7 -45.0 136.4 91.0 30.3 53.9 234 236 A A - 0 0 31 42,-0.1 2,-0.6 38,-0.0 3,-0.2 -0.563 26.7-105.5 -96.1 172.6 89.8 27.7 51.4 235 237 A G S S- 0 0 37 38,-0.4 -2,-0.0 1,-0.3 0, 0.0 -0.936 92.6 -22.1 -97.0 105.1 91.9 26.6 48.2 236 238 A K S S- 0 0 181 -2,-0.6 2,-0.5 1,-0.1 -1,-0.3 0.931 76.9-122.0 54.8 102.7 90.1 28.2 45.3 237 239 A V + 0 0 91 -3,-0.2 40,-0.2 1,-0.2 -1,-0.1 -0.616 42.3 161.1 -75.0 118.2 86.5 29.2 46.0 238 240 A I + 0 0 83 38,-3.4 39,-0.2 -2,-0.5 -1,-0.2 0.797 66.7 5.4-104.3 -43.0 84.2 27.4 43.5 239 241 A D - 0 0 3 37,-1.6 3,-0.4 39,-0.2 39,-0.3 -0.922 47.9-165.2-152.7 115.2 80.7 27.5 45.1 240 242 A P > + 0 0 30 0, 0.0 3,-1.6 0, 0.0 4,-0.4 0.578 68.8 97.7 -75.2 -10.5 79.6 29.2 48.4 241 243 A T T > S+ 0 0 22 1,-0.3 3,-0.6 2,-0.1 4,-0.4 0.864 83.4 41.5 -52.6 -50.1 76.3 27.2 48.6 242 244 A G T 3> S+ 0 0 1 -3,-0.4 4,-2.1 1,-0.2 5,-0.3 0.568 89.7 93.7 -78.1 -5.2 77.3 24.4 51.0 243 245 A A H <> S+ 0 0 27 -3,-1.6 4,-1.9 1,-0.2 -1,-0.2 0.882 82.7 49.9 -54.1 -44.3 79.2 26.8 53.4 244 246 A G H <> S+ 0 0 24 -3,-0.6 4,-1.8 -4,-0.4 -1,-0.2 0.958 114.7 39.7 -66.1 -55.5 76.3 27.5 55.8 245 247 A D H > S+ 0 0 15 -4,-0.4 4,-2.2 1,-0.2 -1,-0.2 0.863 113.7 53.8 -63.4 -36.5 75.2 23.9 56.4 246 248 A S H X S+ 0 0 3 -4,-2.1 4,-2.7 2,-0.2 -1,-0.2 0.852 104.6 56.8 -71.5 -29.3 78.8 22.5 56.6 247 249 A Y H X S+ 0 0 13 -4,-1.9 4,-3.2 -5,-0.3 5,-0.2 0.953 109.1 45.4 -60.4 -48.8 79.6 25.1 59.3 248 250 A R H X S+ 0 0 4 -4,-1.8 4,-2.8 1,-0.2 5,-0.3 0.894 111.5 53.2 -60.1 -39.7 76.7 23.8 61.4 249 251 A A H X S+ 0 0 0 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.921 114.2 41.8 -60.4 -45.7 77.8 20.2 60.7 250 252 A G H X S+ 0 0 0 -4,-2.7 4,-2.4 2,-0.2 5,-0.2 0.955 116.2 48.2 -66.1 -50.2 81.4 21.1 61.9 251 253 A F H X S+ 0 0 0 -4,-3.2 4,-1.7 1,-0.2 -2,-0.2 0.938 117.5 40.7 -55.3 -50.1 80.1 23.2 64.9 252 254 A L H X S+ 0 0 0 -4,-2.8 4,-2.1 -5,-0.2 -1,-0.2 0.869 113.3 53.0 -75.4 -33.8 77.7 20.6 66.1 253 255 A S H X S+ 0 0 0 -4,-2.1 4,-2.1 -5,-0.3 -1,-0.2 0.925 110.8 47.7 -61.6 -45.7 80.0 17.6 65.5 254 256 A A H <>S+ 0 0 0 -4,-2.4 5,-2.4 2,-0.2 -2,-0.2 0.853 109.6 54.8 -63.5 -36.7 82.7 19.3 67.6 255 257 A Y H ><5S+ 0 0 86 -4,-1.7 3,-1.4 -5,-0.2 -2,-0.2 0.940 108.7 46.0 -64.3 -45.9 80.1 20.0 70.3 256 258 A V H 3<5S+ 0 0 12 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.873 107.3 59.2 -63.3 -34.8 79.1 16.3 70.5 257 259 A K T 3<5S- 0 0 70 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.468 124.2-108.5 -77.0 -0.6 82.8 15.4 70.6 258 260 A G T < 5 + 0 0 64 -3,-1.4 -3,-0.2 1,-0.2 2,-0.2 0.654 67.1 143.9 93.7 19.4 83.0 17.6 73.7 259 261 A Y < - 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0 0 80 -5,-2.1 -1,-0.2 1,-0.1 2,-0.0 -0.544 54.4-101.1 -91.4 159.9 46.1 21.1 -0.7 560 262 B D > - 0 0 112 -2,-0.2 4,-2.3 1,-0.1 3,-0.2 -0.295 38.7 -99.0 -79.6 167.2 47.0 24.4 -2.2 561 263 B L H > S+ 0 0 38 1,-0.3 4,-2.3 2,-0.2 5,-0.2 0.802 120.1 56.1 -63.3 -32.7 48.9 27.1 -0.3 562 264 B E H > S+ 0 0 96 2,-0.2 4,-2.3 1,-0.2 -1,-0.3 0.969 110.8 43.4 -60.7 -52.0 45.8 29.1 0.6 563 265 B K H > S+ 0 0 76 -3,-0.2 4,-2.8 1,-0.2 5,-0.2 0.856 109.8 58.4 -65.2 -33.8 44.1 26.1 2.2 564 266 B C H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.918 108.0 46.5 -57.9 -45.5 47.5 25.2 3.9 565 267 B G H X S+ 0 0 0 -4,-2.3 4,-2.9 2,-0.2 -2,-0.2 0.911 112.0 51.3 -59.9 -44.4 47.4 28.7 5.5 566 268 B L H X S+ 0 0 39 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.910 111.4 46.0 -59.7 -46.7 43.7 28.2 6.5 567 269 B I H X S+ 0 0 0 -4,-2.8 4,-2.4 2,-0.2 -1,-0.2 0.906 112.3 52.3 -63.6 -43.4 44.4 24.9 8.1 568 270 B G H X S+ 0 0 0 -4,-2.3 4,-2.3 -5,-0.2 -2,-0.2 0.942 111.2 46.7 -53.5 -49.3 47.4 26.4 9.8 569 271 B A H X S+ 0 0 10 -4,-2.9 4,-1.3 1,-0.2 -37,-0.4 0.868 113.9 48.0 -63.9 -39.8 45.2 29.3 11.2 570 272 B A H < S+ 0 0 0 -4,-2.4 4,-0.4 2,-0.2 -1,-0.2 0.835 109.8 52.3 -73.4 -30.9 42.6 26.8 12.3 571 273 B T H >X S+ 0 0 0 -4,-2.4 3,-1.6 1,-0.2 4,-1.1 0.945 108.4 50.2 -68.3 -48.2 45.1 24.5 14.1 572 274 B A H 3X S+ 0 0 13 -4,-2.3 4,-1.8 1,-0.3 3,-0.2 0.842 99.3 67.2 -59.4 -33.7 46.6 27.4 16.0 573 275 B S H 3< S+ 0 0 5 -4,-1.3 -38,-0.5 1,-0.2 -37,-0.3 0.701 102.8 46.3 -61.4 -22.0 43.1 28.5 17.2 574 276 B F H X4 S+ 0 0 25 -3,-1.6 3,-0.8 -4,-0.4 -1,-0.2 0.786 107.3 57.5 -85.7 -32.8 42.8 25.2 19.2 575 277 B V H >< S+ 0 0 1 -4,-1.1 3,-1.2 1,-0.2 -2,-0.2 0.845 97.9 58.2 -71.3 -36.0 46.3 25.5 20.7 576 278 B V T 3< S+ 0 0 18 -4,-1.8 -38,-2.8 1,-0.2 -37,-1.3 0.628 89.2 79.7 -66.0 -14.1 45.7 29.0 22.3 577 279 B E T < S+ 0 0 44 -3,-0.8 2,-0.3 -40,-0.2 -1,-0.2 0.378 98.8 30.9 -78.8 3.3 42.8 27.4 24.2 578 280 B A S < S- 0 0 23 -3,-1.2 -39,-0.3 -39,-0.4 2,-0.3 -0.993 87.5 -95.4-152.5 160.8 45.0 25.8 26.9 579 281 B K S S+ 0 0 96 -2,-0.3 3,-0.1 -41,-0.1 4,-0.1 -0.604 88.9 47.6 -72.7 138.7 48.3 26.2 28.7 580 282 B G S S- 0 0 3 -2,-0.3 4,-0.3 1,-0.1 -2,-0.2 0.042 82.5-108.7 102.1 146.6 51.1 24.3 27.1 581 283 B C S S+ 0 0 15 -242,-0.4 -241,-0.1 1,-0.2 -1,-0.1 0.705 114.6 28.4 -82.2 -20.4 52.3 24.0 23.5 582 284 B Q S > S+ 0 0 11 -243,-0.4 3,-0.7 1,-0.1 -1,-0.2 0.326 93.8 93.1-120.2 2.9 51.1 20.4 22.9 583 285 B T T 3 S+ 0 0 75 1,-0.2 -2,-0.1 -3,-0.1 -4,-0.1 0.764 94.1 30.4 -83.9 -23.7 48.2 20.1 25.3 584 286 B N T 3 S+ 0 0 58 -4,-0.3 -1,-0.2 -6,-0.1 -7,-0.2 -0.120 76.3 152.4-126.3 37.2 45.2 21.0 23.0 585 287 B L < - 0 0 10 -3,-0.7 2,-0.2 -10,-0.1 -13,-0.1 -0.506 36.5-136.7 -69.5 129.2 46.4 19.9 19.6 586 288 B P - 0 0 8 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.494 6.3-115.5 -85.6 161.5 43.5 19.0 17.3 587 289 B T > - 0 0 47 -2,-0.2 4,-2.1 -234,-0.1 -234,-0.2 -0.342 36.2-103.2 -80.2 169.6 42.7 16.2 14.9 588 290 B W H > S+ 0 0 34 -236,-0.5 4,-3.0 1,-0.2 5,-0.2 0.933 120.4 50.5 -63.7 -47.8 42.3 16.8 11.1 589 291 B D H > S+ 0 0 129 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.847 110.0 50.1 -60.0 -37.5 38.5 16.4 11.2 590 292 B K H > S+ 0 0 113 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.903 111.1 49.0 -70.6 -42.7 38.2 18.9 14.1 591 293 B V H X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 5,-0.3 0.963 112.9 47.2 -53.9 -55.0 40.4 21.5 12.2 592 294 B V H X S+ 0 0 49 -4,-3.0 4,-1.3 1,-0.2 -2,-0.2 0.866 112.0 52.0 -60.5 -35.7 38.3 21.0 9.0 593 295 B E H X S+ 0 0 94 -4,-2.0 4,-0.9 -5,-0.2 -1,-0.2 0.904 109.3 47.7 -66.0 -42.7 35.1 21.4 11.1 594 296 B R H X S+ 0 0 43 -4,-2.2 4,-1.3 1,-0.2 3,-0.5 0.890 112.2 49.7 -67.5 -36.8 36.2 24.7 12.8 595 297 B L H < S+ 0 0 35 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.790 102.1 65.0 -68.7 -27.9 37.3 26.1 9.4 596 298 B E H < S+ 0 0 121 -4,-1.3 -1,-0.2 -5,-0.3 -2,-0.2 0.806 103.5 44.6 -69.1 -30.0 33.9 25.1 8.0 597 299 B K H < 0 0 145 -4,-0.9 -1,-0.2 -3,-0.5 -2,-0.2 0.897 360.0 360.0 -81.2 -42.5 31.9 27.5 10.3 598 300 B H < 0 0 125 -4,-1.3 -1,-0.1 -65,-0.1 0, 0.0 -0.769 360.0 360.0 -94.7 360.0 34.1 30.7 10.0