==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-JUL-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 15-NOV-11 4A7W . COMPND 2 MOLECULE: URIDYLATE KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HELICOBACTER PYLORI; . AUTHOR C.H.CHU,P.C.CHEN,M.H.LIU,Y.J.SUN . 452 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20059.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 335 74.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 68 15.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 14 3.1 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 . 2 0.4 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 . 37 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 45 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 144 31.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 2.9 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 1 1 0 2 4 0 2 0 0 0 0 2 0 0 0 0 0 0 0 0 2 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 4 2 2 4 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 2 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 0 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 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 6 A K 0 0 65 0, 0.0 42,-0.4 0, 0.0 114,-0.1 0.000 360.0 360.0 360.0 -22.5 80.1 24.4 -12.5 2 7 A N + 0 0 165 40,-0.1 2,-0.2 2,-0.0 40,-0.1 0.824 360.0 84.6 -42.2 -48.3 79.5 20.9 -11.3 3 8 A K - 0 0 72 38,-0.3 40,-3.1 141,-0.1 2,-0.4 -0.357 57.0-177.4 -70.5 129.8 82.6 20.5 -9.1 4 9 A R E +a 43 0A 36 38,-0.2 141,-3.1 -2,-0.2 142,-0.8 -0.987 3.8 174.7-131.0 130.3 82.3 21.9 -5.6 5 10 A V E -ab 44 146A 0 38,-2.7 40,-2.6 -2,-0.4 2,-0.5 -0.942 26.6-143.2-137.1 151.6 85.1 22.0 -3.0 6 11 A L E -ab 45 147A 0 140,-1.7 142,-3.1 -2,-0.3 2,-0.5 -0.978 20.1-162.8-113.8 118.1 85.9 23.3 0.5 7 12 A V E -ab 46 148A 0 38,-3.0 40,-2.4 -2,-0.5 2,-0.5 -0.905 5.1-163.0-104.2 124.9 89.4 24.6 1.0 8 13 A K E -ab 47 149A 16 140,-3.0 142,-2.5 -2,-0.5 2,-0.4 -0.925 8.2-178.3-114.3 129.5 90.7 24.9 4.6 9 14 A F E -a 48 0A 5 38,-2.6 40,-2.1 -2,-0.5 2,-0.1 -0.933 27.2-121.7-117.6 145.4 93.7 27.0 5.6 10 15 A S > - 0 0 33 140,-0.5 3,-0.6 -2,-0.4 4,-0.4 -0.492 26.3-119.5 -74.4 156.5 95.2 27.3 9.1 11 16 A G G > S+ 0 0 0 1,-0.2 3,-2.1 2,-0.2 4,-0.4 0.920 113.3 62.2 -60.0 -42.0 95.3 30.9 10.4 12 17 A E G > S+ 0 0 101 1,-0.3 3,-1.3 2,-0.2 4,-0.5 0.771 90.0 69.4 -56.7 -28.4 99.1 30.6 10.7 13 18 A A G X S+ 0 0 13 -3,-0.6 3,-0.5 1,-0.3 -1,-0.3 0.773 94.6 55.4 -61.5 -27.6 99.3 30.0 7.0 14 19 A L G < S+ 0 0 0 -3,-2.1 9,-2.9 -4,-0.4 -1,-0.3 0.653 94.0 69.1 -81.0 -14.2 98.3 33.7 6.4 15 20 A A G X S- 0 0 2 -3,-1.3 3,-0.6 -4,-0.4 -1,-0.2 0.661 78.7-171.6 -81.5 -17.2 101.2 35.0 8.5 16 21 A G T < - 0 0 23 -3,-0.5 -1,-0.2 -4,-0.5 -2,-0.1 -0.362 65.0 -4.6 63.7-136.1 103.9 34.0 6.1 17 22 A D T 3 S+ 0 0 167 -2,-0.1 -1,-0.2 2,-0.0 -2,-0.1 0.951 127.0 66.8 -55.8 -56.0 107.5 34.5 7.4 18 23 A N S < S- 0 0 111 -3,-0.6 5,-0.1 1,-0.1 -3,-0.0 -0.108 80.9-134.8 -59.6 163.3 106.3 36.1 10.7 19 24 A Q S S+ 0 0 181 34,-0.0 2,-0.3 1,-0.0 -4,-0.1 0.628 85.2 55.5 -96.7 -14.6 104.4 34.1 13.2 20 25 A F S S+ 0 0 46 -5,-0.2 33,-0.2 -6,-0.1 -2,-0.1 -0.868 94.5 2.1-117.2 148.3 101.8 36.8 13.9 21 26 A G S S- 0 0 12 31,-2.6 2,-0.5 -2,-0.3 -5,-0.1 -0.341 86.7 -47.3 92.9-160.5 99.5 38.7 11.6 22 27 A I - 0 0 47 -7,-0.1 2,-0.9 -2,-0.1 -7,-0.3 -0.968 34.1-153.1-128.1 114.9 98.6 38.8 7.9 23 28 A D >> - 0 0 44 -9,-2.9 4,-1.8 -2,-0.5 3,-0.8 -0.789 10.4-155.7 -84.8 104.8 101.2 38.8 5.1 24 29 A I H 3> S+ 0 0 49 -2,-0.9 4,-2.3 1,-0.3 -1,-0.2 0.792 91.5 57.8 -52.9 -30.8 99.3 40.5 2.3 25 30 A H H 3> S+ 0 0 132 2,-0.2 4,-2.1 1,-0.2 -1,-0.3 0.902 105.1 48.8 -70.5 -39.8 101.6 38.8 -0.2 26 31 A V H <> S+ 0 0 22 -3,-0.8 4,-2.3 -12,-0.2 -1,-0.2 0.870 110.6 52.9 -62.4 -38.0 100.7 35.3 1.0 27 32 A L H X S+ 0 0 0 -4,-1.8 4,-2.8 -13,-0.2 -2,-0.2 0.916 108.3 49.4 -64.3 -45.8 97.0 36.4 0.8 28 33 A D H X S+ 0 0 38 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.896 109.4 51.5 -60.7 -42.8 97.5 37.5 -2.8 29 34 A H H X S+ 0 0 105 -4,-2.1 4,-1.7 2,-0.2 -2,-0.2 0.941 111.3 47.9 -60.1 -45.6 99.1 34.3 -3.8 30 35 A I H X S+ 0 0 14 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.932 108.3 55.3 -59.2 -45.8 96.2 32.4 -2.2 31 36 A A H X S+ 0 0 0 -4,-2.8 4,-2.5 1,-0.2 -1,-0.2 0.883 105.5 52.1 -55.5 -41.6 93.7 34.6 -4.1 32 37 A K H X S+ 0 0 132 -4,-2.1 4,-1.7 2,-0.2 -1,-0.2 0.877 107.7 51.3 -65.9 -38.1 95.3 33.7 -7.4 33 38 A E H X S+ 0 0 29 -4,-1.7 4,-1.2 2,-0.2 -2,-0.2 0.933 111.1 48.1 -62.0 -45.6 95.1 30.0 -6.7 34 39 A I H >X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 3,-0.5 0.911 106.8 58.2 -60.4 -41.9 91.4 30.4 -5.9 35 40 A K H 3X S+ 0 0 65 -4,-2.5 4,-3.0 1,-0.3 -1,-0.2 0.887 100.9 55.3 -56.7 -40.6 91.0 32.4 -9.1 36 41 A S H 3X S+ 0 0 24 -4,-1.7 4,-0.5 1,-0.2 -1,-0.3 0.849 109.6 47.5 -62.1 -32.2 92.2 29.5 -11.1 37 42 A L H X<>S+ 0 0 0 -4,-1.2 5,-2.1 -3,-0.5 3,-0.7 0.940 112.9 47.3 -72.7 -45.6 89.5 27.3 -9.6 38 43 A V H ><5S+ 0 0 32 -4,-2.6 3,-2.0 1,-0.3 -2,-0.2 0.926 108.3 54.3 -61.8 -45.5 86.8 29.9 -10.2 39 44 A E H 3<5S+ 0 0 132 -4,-3.0 -1,-0.3 1,-0.3 -2,-0.2 0.708 106.5 55.6 -62.8 -18.0 87.9 30.5 -13.8 40 45 A N T <<5S- 0 0 56 -3,-0.7 -1,-0.3 -4,-0.5 -2,-0.2 0.036 121.6-105.1-102.6 25.7 87.5 26.7 -14.3 41 46 A D T < 5S+ 0 0 113 -3,-2.0 2,-0.5 1,-0.2 -38,-0.3 0.780 72.5 144.1 58.4 30.2 83.9 26.5 -13.1 42 47 A I < - 0 0 11 -5,-2.1 2,-0.5 -6,-0.1 -1,-0.2 -0.884 48.0-133.8 -97.2 129.5 84.8 25.0 -9.7 43 48 A E E -a 4 0A 20 -40,-3.1 -38,-2.7 -2,-0.5 2,-0.5 -0.733 26.4-154.7 -87.4 127.9 82.6 26.3 -6.9 44 49 A V E +a 5 0A 2 -2,-0.5 74,-2.3 72,-0.3 2,-0.4 -0.913 22.5 178.0-119.7 121.4 84.7 27.2 -3.8 45 50 A G E -ac 6 118A 0 -40,-2.6 -38,-3.0 -2,-0.5 2,-0.4 -0.900 18.5-160.1-104.7 147.7 84.0 27.4 -0.1 46 51 A I E -ac 7 119A 0 72,-2.5 74,-3.2 -2,-0.4 2,-0.4 -0.979 12.6-171.1-129.7 138.7 86.9 28.4 2.2 47 52 A V E -ac 8 120A 4 -40,-2.4 -38,-2.6 -2,-0.4 2,-0.4 -0.999 10.8-169.4-125.5 133.2 87.5 28.0 5.9 48 53 A I E -a 9 0A 2 72,-0.7 75,-0.2 -2,-0.4 -38,-0.2 -0.961 13.5-135.5-122.0 140.7 90.4 29.7 7.7 49 54 A G - 0 0 3 -40,-2.1 24,-0.1 -2,-0.4 3,-0.1 -0.104 11.3-133.4 -78.1-175.2 91.8 29.2 11.2 50 55 A G >> + 0 0 8 4,-0.1 4,-2.6 1,-0.1 3,-2.2 0.285 67.4 113.8-125.2 10.3 92.7 32.0 13.6 51 56 A G T 34 + 0 0 26 1,-0.3 -1,-0.1 2,-0.2 -41,-0.0 0.589 68.0 68.5 -65.5 -12.6 96.1 30.9 14.9 52 57 A N T 34 S+ 0 0 1 -3,-0.1 -31,-2.6 -32,-0.1 -1,-0.3 0.555 118.1 22.8 -79.8 -9.9 97.9 33.8 13.3 53 58 A I T <4 0 0 18 -3,-2.2 -2,-0.2 1,-0.2 -1,-0.1 0.660 360.0 360.0-119.9 -48.3 96.2 36.1 15.7 54 59 A I < 0 0 79 -4,-2.6 -1,-0.2 12,-0.1 -4,-0.1 -0.879 360.0 360.0-110.3 360.0 95.2 33.9 18.7 55 ! 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 56 69 A I 0 0 74 0, 0.0 2,-0.6 0, 0.0 255,-0.1 0.000 360.0 360.0 360.0 -50.1 94.4 33.6 32.9 57 70 A I - 0 0 57 4,-0.0 2,-0.1 3,-0.0 247,-0.1 -0.779 360.0-142.0 -86.5 119.4 92.4 33.2 29.6 58 71 A R > - 0 0 147 -2,-0.6 4,-2.7 1,-0.1 5,-0.2 -0.368 23.3-101.1 -83.8 163.4 90.1 30.2 30.0 59 72 A R H > S+ 0 0 135 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.866 118.4 47.8 -52.4 -49.1 89.4 27.7 27.2 60 73 A T H > S+ 0 0 45 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.941 114.2 46.2 -62.0 -47.9 85.9 29.0 26.3 61 74 A S H > S+ 0 0 14 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.923 112.4 51.6 -59.4 -45.8 87.1 32.7 26.1 62 75 A G H X S+ 0 0 18 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.882 108.9 50.4 -58.6 -40.9 90.1 31.7 24.1 63 76 A D H X S+ 0 0 42 -4,-2.4 4,-2.3 -5,-0.2 -1,-0.2 0.876 110.0 49.8 -66.8 -39.2 88.0 29.8 21.6 64 77 A Y H X S+ 0 0 46 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.906 110.5 50.0 -65.4 -42.1 85.6 32.8 21.2 65 78 A M H X S+ 0 0 6 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.929 110.1 52.3 -57.8 -44.9 88.6 35.1 20.6 66 79 A G H X S+ 0 0 17 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.909 106.2 52.5 -57.2 -45.5 89.8 32.5 18.0 67 80 A M H X S+ 0 0 18 -4,-2.3 4,-1.2 1,-0.2 55,-0.6 0.891 107.7 51.3 -59.7 -41.1 86.5 32.6 16.3 68 81 A L H X S+ 0 0 2 -4,-2.0 4,-2.0 1,-0.2 3,-0.5 0.914 107.6 55.0 -61.3 -40.5 86.7 36.4 16.0 69 82 A A H X S+ 0 0 0 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.893 102.2 55.4 -58.8 -42.0 90.1 36.0 14.5 70 83 A T H X S+ 0 0 11 -4,-2.0 4,-1.9 1,-0.2 -1,-0.2 0.829 107.7 50.9 -61.2 -29.6 88.8 33.7 11.8 71 84 A V H X S+ 0 0 1 -4,-1.2 4,-2.5 -3,-0.5 -2,-0.2 0.885 106.9 52.0 -76.4 -40.0 86.4 36.4 10.8 72 85 A I H X S+ 0 0 0 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.955 112.9 46.6 -54.6 -51.0 89.2 39.0 10.7 73 86 A N H X S+ 0 0 0 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.886 109.7 53.6 -57.8 -41.8 91.0 36.6 8.3 74 87 A A H X S+ 0 0 0 -4,-1.9 4,-2.5 2,-0.2 -1,-0.2 0.915 109.5 48.0 -64.1 -41.0 87.9 36.0 6.3 75 88 A V H X S+ 0 0 3 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.931 112.1 48.5 -64.2 -44.7 87.4 39.7 5.7 76 89 A A H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.933 112.9 49.0 -60.5 -43.9 91.1 40.2 4.7 77 90 A M H X S+ 0 0 0 -4,-2.7 4,-2.6 2,-0.2 5,-0.2 0.889 107.9 53.9 -61.9 -42.0 90.8 37.2 2.4 78 91 A Q H X S+ 0 0 30 -4,-2.5 4,-2.8 1,-0.2 5,-0.3 0.925 108.5 50.3 -58.3 -44.9 87.6 38.7 0.9 79 92 A E H X S+ 0 0 6 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.936 110.8 49.0 -58.2 -47.2 89.5 41.9 0.2 80 93 A A H X S+ 0 0 0 -4,-2.3 4,-0.7 1,-0.2 -2,-0.2 0.898 114.2 44.8 -61.5 -41.9 92.3 40.0 -1.5 81 94 A L H ><>S+ 0 0 0 -4,-2.6 5,-2.2 1,-0.2 3,-0.8 0.914 114.3 47.4 -69.9 -43.0 89.9 38.0 -3.7 82 95 A E H ><5S+ 0 0 73 -4,-2.8 3,-2.0 1,-0.2 -2,-0.2 0.836 100.9 67.6 -70.5 -28.4 87.7 41.0 -4.7 83 96 A H H 3<5S+ 0 0 114 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.833 105.3 43.0 -56.1 -32.8 90.9 42.9 -5.4 84 97 A I T <<5S- 0 0 35 -3,-0.8 -1,-0.3 -4,-0.7 -2,-0.2 0.093 129.4 -94.6-106.1 23.9 91.4 40.5 -8.3 85 98 A G T < 5S+ 0 0 61 -3,-2.0 2,-0.6 1,-0.2 -3,-0.2 0.512 76.2 139.9 87.4 7.0 87.8 40.6 -9.5 86 99 A L < - 0 0 13 -5,-2.2 2,-0.3 -6,-0.1 -1,-0.2 -0.763 53.2-128.2 -88.1 118.4 86.4 37.5 -7.7 87 100 A D - 0 0 89 -2,-0.6 30,-2.4 28,-0.2 2,-0.4 -0.501 38.9-176.1 -61.4 122.9 82.9 38.0 -6.3 88 101 A T E -d 117 0A 0 -2,-0.3 2,-0.4 28,-0.2 30,-0.2 -0.964 18.5-165.7-134.3 139.7 83.2 36.9 -2.7 89 102 A R E -d 118 0A 57 28,-2.8 30,-3.0 -2,-0.4 2,-0.5 -0.971 9.8-150.0-124.7 140.6 80.8 36.4 0.2 90 103 A V E -d 119 0A 4 -2,-0.4 11,-2.2 28,-0.2 2,-0.5 -0.957 12.7-173.8-112.0 126.6 81.6 36.0 3.9 91 104 A Q E -de 120 101A 0 28,-2.6 30,-2.6 -2,-0.5 2,-0.4 -0.979 7.3-159.2-121.8 124.1 79.2 33.9 6.1 92 105 A S E -de 121 102A 1 9,-2.7 11,-2.4 -2,-0.5 30,-0.2 -0.809 22.8-141.8-106.2 141.1 79.8 33.7 9.9 93 106 A A S S+ 0 0 31 28,-2.2 2,-0.5 -2,-0.4 29,-0.1 0.702 100.2 55.0 -68.2 -21.4 78.5 31.1 12.3 94 107 A I S S- 0 0 2 27,-0.2 2,-0.2 -27,-0.1 -2,-0.1 -0.967 101.5-114.2-112.2 126.4 78.0 34.0 14.7 95 108 A E + 0 0 93 -2,-0.5 230,-0.3 1,-0.1 231,-0.1 -0.435 45.1 158.3 -64.0 124.8 76.0 36.9 13.4 96 109 A I >> - 0 0 1 4,-0.4 4,-2.1 -2,-0.2 3,-1.5 -0.626 18.0-179.2-139.8 72.6 78.1 40.1 13.0 97 110 A K T 34 S+ 0 0 137 226,-0.3 -1,-0.1 1,-0.3 227,-0.0 0.755 70.3 54.0 -64.0 -34.1 75.8 41.8 10.6 98 111 A E T 34 S+ 0 0 74 1,-0.2 -1,-0.3 225,-0.1 3,-0.1 0.832 118.9 37.0 -65.0 -28.4 77.6 45.0 9.9 99 112 A I T <4 S- 0 0 17 -3,-1.5 2,-0.3 1,-0.2 -2,-0.2 0.860 126.8 -14.0 -97.0 -40.7 80.7 43.1 8.9 100 113 A C S < S- 0 0 15 -4,-2.1 -4,-0.4 -11,-0.1 -1,-0.2 -0.925 73.3 -83.2-152.8 174.5 79.6 40.0 7.1 101 114 A E E -e 91 0A 60 -11,-2.2 -9,-2.7 -2,-0.3 2,-0.2 -0.373 43.9-112.5 -76.5 163.0 76.6 37.7 6.3 102 115 A S E -e 92 0A 24 -11,-0.3 2,-0.5 -7,-0.1 -9,-0.2 -0.636 41.4 -92.0 -87.7 155.4 75.3 35.1 8.7 103 116 A Y + 0 0 41 -11,-2.4 2,-0.4 -2,-0.2 -1,-0.1 -0.583 55.3 167.0 -67.5 119.0 75.6 31.4 7.7 104 117 A I >> - 0 0 88 -2,-0.5 4,-2.8 1,-0.2 3,-0.6 -0.959 31.3-145.7-137.7 116.7 72.4 30.5 6.0 105 118 A Y H 3> S+ 0 0 130 -2,-0.4 4,-2.5 1,-0.3 5,-0.2 0.901 98.3 48.1 -50.0 -52.6 72.2 27.3 4.1 106 119 A R H 3> S+ 0 0 207 1,-0.2 4,-1.5 2,-0.2 -1,-0.3 0.837 115.5 46.8 -63.5 -29.7 69.8 28.5 1.3 107 120 A K H <> S+ 0 0 86 -3,-0.6 4,-2.6 2,-0.2 -1,-0.2 0.893 109.6 52.1 -75.1 -43.3 72.0 31.6 0.8 108 121 A A H X S+ 0 0 0 -4,-2.8 4,-2.2 2,-0.2 -2,-0.2 0.938 110.3 49.2 -59.7 -45.4 75.3 29.8 0.8 109 122 A I H X S+ 0 0 21 -4,-2.5 4,-2.6 -5,-0.2 -1,-0.2 0.932 111.1 49.7 -59.7 -46.7 74.0 27.4 -1.9 110 123 A R H X S+ 0 0 131 -4,-1.5 4,-1.8 -5,-0.2 -1,-0.2 0.915 109.4 51.3 -58.3 -46.2 72.7 30.3 -4.0 111 124 A H H <>S+ 0 0 11 -4,-2.6 5,-2.5 1,-0.2 -1,-0.2 0.922 112.6 46.1 -55.9 -46.1 76.1 32.1 -3.8 112 125 A L H ><5S+ 0 0 0 -4,-2.2 3,-1.6 1,-0.2 -1,-0.2 0.891 109.2 54.0 -68.2 -40.1 78.0 29.0 -4.9 113 126 A E H 3<5S+ 0 0 119 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.819 107.5 52.4 -63.1 -31.5 75.6 28.3 -7.7 114 127 A K T 3<5S- 0 0 106 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.287 123.7-103.4 -90.4 10.0 76.1 31.8 -9.0 115 128 A G T < 5S+ 0 0 39 -3,-1.6 -3,-0.2 1,-0.3 2,-0.2 0.596 71.9 142.6 84.9 10.7 79.9 31.4 -9.0 116 129 A R < - 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0 0 50 -3,-1.3 -3,-0.2 -4,-0.2 -139,-0.1 0.867 49.1-174.6 70.8 37.7 77.5 19.1 -0.7 144 157 A S < - 0 0 15 -5,-2.7 -139,-0.2 -6,-0.2 -1,-0.2 -0.324 31.1-140.7 -62.8 144.6 81.3 19.3 -1.5 145 158 A D S S- 0 0 75 -141,-3.1 2,-0.3 1,-0.3 -140,-0.2 0.749 83.9 -15.3 -73.0 -26.2 82.9 16.6 -3.6 146 159 A L E -b 5 0A 16 -142,-0.8 -140,-1.7 53,-0.1 2,-0.4 -0.980 60.2-121.4-165.6 162.0 85.9 16.9 -1.2 147 160 A I E -bf 6 201A 0 53,-2.1 55,-2.8 -2,-0.3 2,-0.6 -0.947 23.5-153.9-106.9 136.1 87.6 18.9 1.5 148 161 A I E -bf 7 202A 0 -142,-3.1 -140,-3.0 -2,-0.4 2,-0.9 -0.955 1.0-158.4-109.8 115.7 91.1 20.1 0.8 149 162 A K E -bf 8 203A 31 53,-3.4 55,-2.0 -2,-0.6 2,-0.5 -0.842 14.1-154.0 -88.6 105.5 93.3 20.7 3.9 150 163 A A E + f 0 204A 6 -142,-2.5 -140,-0.5 -2,-0.9 2,-0.2 -0.716 25.4 165.6 -81.4 124.9 96.0 23.0 2.6 151 164 A T E - f 0 205A 33 53,-3.5 55,-1.6 -2,-0.5 56,-0.3 -0.747 51.5-106.1-131.6 179.4 99.1 22.7 4.7 152 165 A K S S+ 0 0 112 -2,-0.2 2,-0.2 53,-0.2 53,-0.1 0.654 99.7 73.1 -80.3 -15.5 102.8 23.6 4.6 153 166 A V S S- 0 0 44 51,-0.2 -2,-0.4 2,-0.1 53,-0.1 -0.611 90.4-115.0-102.7 158.6 103.7 20.0 3.9 154 167 A D S S- 0 0 56 -2,-0.2 51,-0.4 50,-0.1 2,-0.3 0.625 78.4 -54.2 -67.2 -19.2 103.2 18.0 0.7 155 168 A G S S- 0 0 6 49,-0.2 2,-0.5 68,-0.1 49,-0.1 -0.934 84.8 -28.7 172.5-154.1 100.7 15.5 2.1 156 169 A I E -I 170 0B 4 14,-0.6 14,-3.4 -2,-0.3 2,-0.3 -0.824 54.9-155.9 -98.2 128.3 100.2 13.0 4.9 157 170 A Y E -I 169 0B 49 -2,-0.5 27,-0.3 27,-0.3 12,-0.2 -0.795 24.9-132.3-107.6 148.3 103.2 11.3 6.4 158 171 A D S S+ 0 0 62 10,-2.3 2,-0.3 -2,-0.3 24,-0.1 0.766 100.1 9.7 -60.5 -25.7 103.6 8.0 8.2 159 172 A K S S- 0 0 24 9,-0.2 -1,-0.1 5,-0.1 5,-0.1 -0.974 105.2 -72.2-152.0 157.1 105.6 10.0 10.7 160 173 A D >> - 0 0 83 -2,-0.3 4,-1.5 1,-0.2 3,-1.1 -0.307 28.8-156.4 -58.5 123.0 106.4 13.6 11.3 161 174 A P T 34 S+ 0 0 44 0, 0.0 -1,-0.2 0, 0.0 -3,-0.0 0.338 95.5 69.3 -70.4 -6.2 108.7 15.1 8.7 162 175 A N T 34 S+ 0 0 131 1,-0.1 -2,-0.1 3,-0.0 3,-0.1 0.287 120.4 17.9 -94.0 3.9 109.6 17.7 11.4 163 176 A K T <4 S+ 0 0 59 -3,-1.1 2,-0.6 1,-0.1 -3,-0.1 0.500 114.9 68.2-139.2 -22.9 111.2 14.8 12.9 164 177 A F >< - 0 0 95 -4,-1.5 3,-2.3 1,-0.2 -1,-0.1 -0.859 37.0-178.3-134.9 100.6 111.8 12.0 10.6 165 178 A K T 3 S+ 0 0 205 -2,-0.6 -1,-0.2 1,-0.3 -5,-0.0 0.621 100.2 50.3 -66.2 -9.5 114.2 12.0 7.7 166 179 A D T 3 S+ 0 0 113 -3,-0.1 -1,-0.3 2,-0.1 2,-0.2 0.320 82.5 125.9-105.0 3.2 112.8 8.5 7.1 167 180 A A < - 0 0 18 -3,-2.3 2,-0.4 -7,-0.2 -7,-0.0 -0.465 48.5-152.3 -65.7 129.3 109.2 9.8 7.2 168 181 A K - 0 0 132 -2,-0.2 -10,-2.3 -8,-0.0 2,-0.3 -0.873 14.3-116.0-113.2 138.4 107.4 8.7 4.0 169 182 A K E -I 157 0B 56 -2,-0.4 2,-0.6 -12,-0.2 -12,-0.3 -0.510 23.9-145.0 -69.0 126.8 104.4 10.4 2.3 170 183 A L E -I 156 0B 49 -14,-3.4 -14,-0.6 -2,-0.3 55,-0.1 -0.865 9.5-166.6 -94.1 118.0 101.3 8.2 2.2 171 184 A D S S+ 0 0 100 -2,-0.6 54,-2.4 1,-0.2 2,-0.3 0.887 73.2 19.8 -74.0 -40.2 99.4 8.7 -1.0 172 185 A T E +g 225 0A 85 52,-0.2 2,-0.3 -16,-0.0 54,-0.2 -0.975 65.2 170.2-130.4 146.4 96.2 7.0 0.1 173 186 A L E -g 226 0A 9 52,-2.0 54,-1.8 -2,-0.3 2,-0.2 -0.959 27.4-123.5-142.7 162.1 94.8 6.1 3.5 174 187 A S > - 0 0 40 -2,-0.3 4,-1.8 52,-0.2 5,-0.2 -0.666 32.5-110.3 -97.5 161.7 91.5 4.9 4.9 175 188 A Y H > S+ 0 0 25 52,-0.8 4,-2.8 -2,-0.2 3,-0.2 0.938 122.8 51.5 -55.2 -45.0 89.4 6.7 7.6 176 189 A N H >>S+ 0 0 79 1,-0.2 4,-3.1 2,-0.2 5,-0.6 0.887 104.3 56.3 -60.0 -40.5 90.4 3.9 10.0 177 190 A D H >5S+ 0 0 87 1,-0.2 4,-1.4 2,-0.2 6,-0.4 0.893 112.6 42.7 -55.3 -40.7 94.1 4.3 9.1 178 191 A A H <5S+ 0 0 7 -4,-1.8 -2,-0.2 -3,-0.2 -1,-0.2 0.910 119.5 42.5 -73.5 -43.0 93.8 8.0 10.1 179 192 A L H <5S+ 0 0 40 -4,-2.8 -2,-0.2 -5,-0.2 -3,-0.2 0.959 121.6 37.0 -66.9 -55.3 91.7 7.3 13.2 180 193 A I H <5S+ 0 0 140 -4,-3.1 -3,-0.2 -5,-0.2 -2,-0.2 0.907 106.3 76.6 -67.5 -46.5 93.5 4.3 14.6 181 194 A G S < - 0 0 44 -2,-0.3 4,-2.5 1,-0.1 3,-0.3 -0.300 49.4-105.5 -67.3 158.8 91.6 15.4 14.8 188 201 A D H > S+ 0 0 96 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.822 119.0 55.7 -55.1 -38.1 89.4 12.3 15.5 189 202 A T H > S+ 0 0 77 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.936 110.3 45.3 -64.1 -44.3 86.2 14.3 15.7 190 203 A A H > S+ 0 0 0 -3,-0.3 4,-2.5 2,-0.2 -2,-0.2 0.940 113.6 48.9 -60.6 -50.5 86.9 15.7 12.2 191 204 A I H X S+ 0 0 1 -4,-2.5 4,-3.0 1,-0.2 -2,-0.2 0.906 110.0 52.2 -58.6 -42.7 87.9 12.3 10.7 192 205 A S H X S+ 0 0 42 -4,-2.6 4,-2.5 -5,-0.2 -1,-0.2 0.885 110.1 47.7 -60.5 -42.4 84.8 10.7 12.2 193 206 A L H X S+ 0 0 51 -4,-1.8 4,-0.8 2,-0.2 -1,-0.2 0.892 113.5 47.6 -68.7 -39.9 82.4 13.3 10.7 194 207 A A H ><>S+ 0 0 0 -4,-2.5 5,-2.5 1,-0.2 3,-0.8 0.954 113.1 49.8 -62.1 -48.6 84.1 12.9 7.3 195 208 A K H ><5S+ 0 0 75 -4,-3.0 3,-1.3 1,-0.2 -2,-0.2 0.912 107.6 52.3 -55.5 -48.9 84.0 9.2 7.5 196 209 A D H 3<5S+ 0 0 120 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.670 118.0 37.9 -70.5 -13.9 80.3 9.0 8.4 197 210 A N T <<5S- 0 0 85 -4,-0.8 -1,-0.3 -3,-0.8 -2,-0.2 0.254 108.7-121.2-116.6 10.2 79.4 11.2 5.5 198 211 A K T < 5 + 0 0 178 -3,-1.3 -3,-0.2 -4,-0.4 -4,-0.1 0.884 50.3 166.3 54.0 44.0 81.9 9.7 3.1 199 212 A L < - 0 0 7 -5,-2.5 -1,-0.2 -6,-0.1 -53,-0.1 -0.825 34.0-131.8 -90.3 115.4 83.6 13.0 2.5 200 213 A P - 0 0 37 0, 0.0 -53,-2.1 0, 0.0 2,-0.5 -0.418 19.9-148.6 -64.7 142.9 87.0 12.4 0.7 201 214 A I E -fH 147 226A 0 25,-2.5 25,-2.6 -55,-0.2 2,-0.4 -0.972 11.7-169.2-117.0 127.7 89.8 14.4 2.4 202 215 A V E -fH 148 225A 0 -55,-2.8 -53,-3.4 -2,-0.5 2,-0.5 -0.962 2.5-165.9-115.6 130.7 92.8 15.7 0.5 203 216 A V E +fH 149 224A 7 21,-2.0 21,-2.0 -2,-0.4 2,-0.3 -0.962 27.2 142.4-113.0 129.3 95.9 17.1 2.2 204 217 A C E -f 150 0A 0 -55,-2.0 -53,-3.5 -2,-0.5 2,-0.6 -0.952 51.9 -76.7-158.8 176.2 98.3 19.1 0.1 205 218 A N E -f 151 0A 20 17,-0.4 3,-0.4 -51,-0.4 -53,-0.2 -0.717 26.8-158.6 -90.9 115.1 100.7 22.1 -0.1 206 219 A M S S+ 0 0 22 -55,-1.6 6,-0.2 -2,-0.6 5,-0.2 0.906 84.6 61.8 -52.4 -47.3 99.0 25.5 -0.5 207 220 A F S S+ 0 0 118 -56,-0.3 2,-0.3 2,-0.1 -1,-0.2 0.794 74.1 94.8 -58.0 -43.3 102.1 27.1 -2.0 208 221 A K S > S- 0 0 59 -3,-0.4 3,-1.9 1,-0.1 4,-0.4 -0.362 81.5-118.1 -65.4 117.4 102.7 25.1 -5.2 209 222 A K T 3 S+ 0 0 166 -2,-0.3 -1,-0.1 1,-0.3 -2,-0.1 -0.206 90.5 8.9 -59.8 134.7 101.1 27.0 -8.0 210 223 A G T 3> S+ 0 0 26 1,-0.0 4,-2.2 11,-0.0 -1,-0.3 0.361 92.3 117.2 82.2 -5.0 98.3 25.2 -9.9 211 224 A N H <> S+ 0 0 11 -3,-1.9 4,-2.8 2,-0.2 5,-0.2 0.923 71.5 50.5 -66.3 -44.7 98.2 22.4 -7.4 212 225 A L H > S+ 0 0 6 -4,-0.4 4,-2.7 -6,-0.2 5,-0.3 0.948 111.9 49.1 -55.1 -48.9 94.6 23.0 -6.2 213 226 A L H >>S+ 0 0 26 1,-0.2 4,-2.9 2,-0.2 5,-0.7 0.911 111.2 49.7 -57.5 -42.7 93.4 23.0 -9.8 214 227 A Q H X>S+ 0 0 68 -4,-2.2 6,-2.3 1,-0.2 4,-1.4 0.932 112.1 47.6 -63.9 -45.4 95.3 19.8 -10.6 215 228 A V H X5S+ 0 0 8 -4,-2.8 4,-0.8 4,-0.3 -2,-0.2 0.943 122.2 33.5 -60.0 -47.8 93.9 18.0 -7.6 216 229 A I H <5S+ 0 0 4 -4,-2.7 -2,-0.2 -5,-0.2 -3,-0.2 0.936 127.8 32.5 -79.8 -48.7 90.3 19.1 -8.3 217 230 A K H <5S+ 0 0 102 -4,-2.9 -3,-0.2 -5,-0.3 -2,-0.1 0.856 136.5 18.9 -80.2 -34.2 90.0 19.2 -12.0 218 231 A H H < - 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