==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-FEB-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 30-SEP-08 2V4Y . COMPND 2 MOLECULE: URIDYLATE KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR P.MEYER,C.EVRIN,P.BRIOZZO,N.JOLY,O.BARZU,A.M.GILLES . 1407 10 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 52960.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1022 72.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 204 14.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 44 3.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 12 0.9 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 . 132 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 114 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 442 31.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 48 3.4 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 6 6 6 1 11 0 6 0 0 0 0 6 0 0 0 0 0 0 0 2 4 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 12 6 6 12 6 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 . 10 0 6 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 0 0 6 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 5 A A 0 0 108 0, 0.0 226,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-159.3 10.7 -24.4 40.7 2 6 A K - 0 0 173 225,-0.2 2,-0.2 2,-0.0 41,-0.0 -0.978 360.0-126.4-119.4 122.1 10.6 -23.3 37.0 3 7 A P - 0 0 37 0, 0.0 224,-0.2 0, 0.0 223,-0.1 -0.444 6.6-149.3 -65.5 130.5 7.2 -22.8 35.3 4 8 A V S S+ 0 0 89 222,-2.0 2,-0.4 -2,-0.2 223,-0.1 0.346 82.4 65.6 -82.0 6.6 7.0 -24.7 32.0 5 9 A Y - 0 0 31 221,-0.4 3,-0.2 1,-0.1 -1,-0.1 -0.991 52.3-177.4-132.5 125.3 4.6 -22.0 30.8 6 10 A K S S+ 0 0 147 -2,-0.4 40,-2.9 1,-0.3 2,-0.3 0.749 83.9 22.4 -88.8 -25.8 5.5 -18.3 30.1 7 11 A R E S+a 46 0A 19 38,-0.2 148,-3.5 146,-0.1 149,-0.7 -0.950 71.9 175.6-145.4 121.5 1.9 -17.3 29.1 8 12 A I E -ab 47 156A 0 38,-2.4 40,-2.5 -2,-0.3 2,-0.6 -0.883 26.3-139.5-124.2 154.8 -1.3 -19.1 30.1 9 13 A L E -ab 48 157A 0 147,-2.7 149,-2.3 -2,-0.3 2,-0.6 -0.922 21.2-157.9-113.3 106.5 -5.0 -18.5 29.6 10 14 A L E -ab 49 158A 4 38,-2.9 40,-2.7 -2,-0.6 2,-0.6 -0.719 4.1-159.5 -87.0 120.5 -6.8 -19.4 32.8 11 15 A K E -ab 50 159A 15 147,-2.2 149,-1.9 -2,-0.6 2,-0.3 -0.891 10.5-173.9-105.3 114.5 -10.5 -20.2 32.2 12 16 A L E -a 51 0A 2 38,-2.5 40,-0.8 -2,-0.6 2,-0.3 -0.772 23.0-126.7-103.7 149.6 -12.8 -20.0 35.2 13 17 A S > - 0 0 38 147,-0.4 3,-1.4 -2,-0.3 4,-0.2 -0.703 25.3-121.7 -84.7 147.4 -16.4 -20.9 35.4 14 18 A G G > S+ 0 0 0 -2,-0.3 3,-2.3 1,-0.3 4,-0.2 0.905 113.8 62.4 -54.0 -42.3 -18.6 -18.1 36.8 15 19 A E G > S+ 0 0 59 1,-0.3 3,-2.5 2,-0.2 -1,-0.3 0.760 81.9 81.5 -55.9 -25.4 -19.7 -20.4 39.6 16 20 A A G < S+ 0 0 8 -3,-1.4 -1,-0.3 1,-0.3 -2,-0.2 0.729 94.2 47.4 -53.1 -20.8 -16.0 -20.5 40.6 17 21 A L G < S+ 0 0 0 -3,-2.3 9,-2.7 -4,-0.2 -1,-0.3 0.425 87.7 119.5-102.5 -1.9 -16.8 -17.2 42.4 18 22 A Q < - 0 0 40 -3,-2.5 6,-0.2 7,-0.2 7,-0.1 -0.285 51.5-145.8 -63.7 147.7 -20.0 -18.4 44.1 19 23 A G > - 0 0 17 4,-1.0 3,-0.7 9,-0.0 -1,-0.1 0.077 46.0 -71.4 -88.8-152.6 -20.3 -18.4 47.8 20 24 A T T 3 S+ 0 0 145 1,-0.2 -2,-0.1 2,-0.1 6,-0.0 0.866 126.8 68.8 -71.8 -36.9 -22.3 -20.9 49.9 21 25 A E T 3 S- 0 0 118 2,-0.2 -1,-0.2 1,-0.1 3,-0.1 0.536 109.8-120.7 -64.1 -5.0 -25.6 -19.5 48.7 22 26 A G S < S+ 0 0 23 -3,-0.7 2,-0.3 1,-0.2 -1,-0.1 0.740 81.9 63.8 72.2 24.6 -24.8 -20.9 45.3 23 27 A F S S+ 0 0 38 -6,-0.1 -4,-1.0 -8,-0.0 -1,-0.2 -0.977 77.7 25.2-163.5 168.8 -24.9 -17.6 43.5 24 28 A G S S- 0 0 10 31,-2.7 2,-0.5 -2,-0.3 -7,-0.1 -0.229 92.5 -50.9 71.5-158.1 -23.3 -14.1 43.3 25 29 A I - 0 0 30 -7,-0.1 2,-0.7 31,-0.1 -7,-0.2 -0.978 41.5-150.2-124.1 120.9 -19.8 -13.3 44.2 26 30 A D > - 0 0 51 -9,-2.7 4,-1.8 -2,-0.5 5,-0.2 -0.825 10.5-147.3 -91.8 115.2 -18.2 -14.3 47.6 27 31 A A H > S+ 0 0 17 -2,-0.7 4,-2.7 1,-0.2 5,-0.2 0.842 95.7 44.6 -48.9 -44.4 -15.6 -11.7 48.5 28 32 A S H > S+ 0 0 79 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.890 111.8 49.8 -73.0 -40.9 -13.3 -14.3 50.3 29 33 A I H > S+ 0 0 27 2,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.747 115.8 47.7 -67.6 -22.5 -13.6 -17.0 47.7 30 34 A L H X S+ 0 0 0 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.896 109.9 48.0 -83.6 -47.3 -12.7 -14.2 45.2 31 35 A D H X S+ 0 0 44 -4,-2.7 4,-1.7 1,-0.2 -2,-0.2 0.804 109.3 56.9 -62.5 -30.2 -9.7 -12.7 47.1 32 36 A R H X S+ 0 0 97 -4,-1.9 4,-1.8 2,-0.2 -1,-0.2 0.931 108.1 46.4 -63.4 -44.9 -8.5 -16.3 47.5 33 37 A M H X S+ 0 0 6 -4,-0.9 4,-1.8 1,-0.2 -2,-0.2 0.836 107.6 56.6 -69.6 -34.0 -8.5 -16.6 43.7 34 38 A A H X S+ 0 0 0 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.888 107.2 50.4 -61.9 -39.4 -6.8 -13.3 43.4 35 39 A Q H X S+ 0 0 90 -4,-1.7 4,-1.7 2,-0.2 -2,-0.2 0.885 105.6 54.4 -67.9 -40.4 -4.0 -14.6 45.6 36 40 A E H X S+ 0 0 31 -4,-1.8 4,-1.5 1,-0.2 -1,-0.2 0.900 112.4 45.1 -58.4 -40.7 -3.6 -17.8 43.5 37 41 A I H X S+ 0 0 1 -4,-1.8 4,-2.2 1,-0.2 -2,-0.2 0.845 105.0 61.0 -72.1 -34.8 -3.2 -15.6 40.4 38 42 A K H X S+ 0 0 44 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.869 103.2 53.6 -58.7 -35.8 -0.8 -13.3 42.3 39 43 A E H X S+ 0 0 62 -4,-1.7 4,-2.0 2,-0.2 5,-0.2 0.984 106.9 48.3 -61.2 -57.4 1.4 -16.3 42.7 40 44 A L H <>S+ 0 0 0 -4,-1.5 5,-2.3 1,-0.3 -2,-0.2 0.852 112.5 51.1 -51.5 -39.0 1.5 -17.1 39.0 41 45 A V H ><5S+ 0 0 29 -4,-2.2 3,-1.7 1,-0.2 -1,-0.3 0.924 108.5 50.2 -65.0 -44.0 2.3 -13.5 38.4 42 46 A E H 3<5S+ 0 0 133 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.764 102.0 61.5 -68.7 -25.3 5.2 -13.6 40.9 43 47 A L T 3<5S- 0 0 51 -4,-2.0 -1,-0.3 -5,-0.1 -2,-0.2 0.384 125.0-104.9 -77.0 2.7 6.6 -16.7 39.2 44 48 A G T < 5S+ 0 0 53 -3,-1.7 2,-0.4 1,-0.3 -3,-0.2 0.637 72.8 146.5 81.7 15.9 6.9 -14.5 36.1 45 49 A I < - 0 0 7 -5,-2.3 2,-0.6 -6,-0.2 -1,-0.3 -0.692 48.4-131.9 -86.7 137.2 4.0 -16.1 34.3 46 50 A Q E -a 7 0A 35 -40,-2.9 -38,-2.4 -2,-0.4 2,-0.6 -0.791 30.3-157.5 -85.6 121.9 1.9 -13.9 32.0 47 51 A V E -a 8 0A 1 -2,-0.6 81,-2.2 79,-0.3 2,-0.5 -0.895 20.5-178.8-117.7 116.0 -1.8 -14.5 32.9 48 52 A G E -ac 9 128A 0 -40,-2.5 -38,-2.9 -2,-0.6 2,-0.4 -0.927 16.7-159.5-101.9 133.6 -4.9 -14.0 30.8 49 53 A V E -ac 10 129A 0 79,-2.6 81,-3.6 -2,-0.5 2,-0.5 -0.941 10.9-169.7-116.9 136.0 -8.1 -14.9 32.6 50 54 A V E -ac 11 130A 2 -40,-2.7 -38,-2.5 -2,-0.4 2,-0.3 -0.980 13.9-167.5-121.4 118.9 -11.5 -15.7 31.0 51 55 A I E -a 12 0A 4 79,-0.7 82,-0.3 -2,-0.5 -38,-0.2 -0.814 9.9-142.2-111.1 148.4 -14.5 -15.8 33.3 52 56 A G - 0 0 2 -40,-0.8 31,-0.1 -2,-0.3 32,-0.1 -0.189 13.5-132.1 -89.1-172.5 -18.0 -17.1 32.8 53 57 A G >> + 0 0 11 4,-0.1 4,-2.2 -2,-0.1 3,-1.5 0.233 66.3 115.8-129.1 14.9 -21.2 -15.7 34.1 54 58 A G T 34 S+ 0 0 19 1,-0.3 -30,-0.1 2,-0.2 -1,-0.1 0.753 74.6 57.1 -59.5 -29.8 -23.1 -18.7 35.6 55 59 A N T 34 S+ 0 0 3 1,-0.2 -31,-2.7 -32,-0.1 -1,-0.3 0.703 117.1 33.8 -74.1 -21.0 -22.9 -17.3 39.1 56 60 A L T <4 S+ 0 0 20 -3,-1.5 2,-0.4 1,-0.3 -2,-0.2 0.628 125.5 35.6-110.9 -21.4 -24.7 -14.1 38.2 57 61 A F < + 0 0 29 -4,-2.2 -1,-0.3 1,-0.1 -4,-0.1 -0.896 48.9 156.0-140.6 112.7 -27.0 -15.4 35.5 58 62 A R + 0 0 124 -2,-0.4 -1,-0.1 -3,-0.1 18,-0.1 0.893 12.3 167.3 -88.5 -71.4 -28.8 -18.8 35.4 59 63 A G > + 0 0 16 1148,-0.1 4,-1.4 1,-0.1 8,-0.1 0.700 34.1 121.7 63.9 21.8 -31.7 -18.0 33.2 60 64 A A H > S+ 0 0 70 2,-0.2 4,-2.2 3,-0.1 -1,-0.1 0.830 80.4 50.6 -74.3 -34.8 -32.7 -21.6 32.7 61 65 A G H > S+ 0 0 40 2,-0.2 4,-1.6 1,-0.2 -1,-0.1 0.873 110.3 47.5 -66.7 -40.3 -36.0 -20.6 34.2 62 66 A L H 4>S+ 0 0 6 2,-0.2 5,-2.7 1,-0.2 -1,-0.2 0.833 110.4 52.1 -71.5 -33.5 -36.3 -17.6 31.8 63 67 A A H ><5S+ 0 0 47 -4,-1.4 3,-2.0 3,-0.2 -2,-0.2 0.942 107.9 52.8 -63.0 -46.4 -35.4 -19.9 28.9 64 68 A K H 3<5S+ 0 0 177 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.865 104.1 56.0 -54.9 -39.5 -38.2 -22.2 30.0 65 69 A A T 3<5S- 0 0 39 -4,-1.6 -1,-0.3 -5,-0.1 -2,-0.2 0.487 130.6 -96.2 -75.6 -2.6 -40.6 -19.2 30.0 66 70 A G T < 5 + 0 0 47 -3,-2.0 -3,-0.2 1,-0.2 -2,-0.2 0.577 62.1 168.9 101.5 12.7 -39.7 -18.7 26.4 67 71 A M < - 0 0 13 -5,-2.7 -1,-0.2 1,-0.1 1201,-0.0 -0.299 46.9 -96.6 -57.7 137.2 -37.0 -16.1 26.5 68 72 A N > - 0 0 36 1,-0.1 4,-2.4 4,-0.1 5,-0.2 -0.307 26.8-132.2 -57.6 132.7 -35.1 -15.5 23.3 69 73 A R H > S+ 0 0 132 1,-0.2 4,-2.4 2,-0.2 69,-0.2 0.885 105.1 51.2 -56.4 -41.8 -31.9 -17.5 23.2 70 74 A V H > S+ 0 0 3 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.965 109.7 48.1 -60.8 -55.1 -29.9 -14.5 21.9 71 75 A V H > S+ 0 0 2 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.880 110.4 54.5 -52.6 -41.4 -31.2 -12.2 24.6 72 76 A G H X S+ 0 0 7 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.940 109.3 45.4 -58.6 -50.5 -30.3 -14.9 27.2 73 77 A D H X S+ 0 0 39 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.817 109.0 56.6 -65.9 -30.5 -26.7 -15.2 26.0 74 78 A H H X S+ 0 0 8 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.884 106.1 51.0 -65.0 -38.2 -26.4 -11.4 26.0 75 79 A M H X S+ 0 0 0 -4,-2.0 4,-2.2 -5,-0.2 -2,-0.2 0.929 111.5 47.0 -63.0 -44.5 -27.4 -11.4 29.6 76 80 A G H X S+ 0 0 16 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.893 108.3 57.0 -61.6 -40.1 -24.8 -14.0 30.4 77 81 A M H X S+ 0 0 13 -4,-2.4 4,-0.9 1,-0.2 55,-0.5 0.929 108.9 44.4 -58.2 -48.5 -22.3 -11.9 28.4 78 82 A L H >X S+ 0 0 2 -4,-2.3 4,-1.5 1,-0.2 3,-0.9 0.902 108.3 60.4 -60.9 -40.8 -22.9 -8.9 30.6 79 83 A A H 3X S+ 0 0 0 -4,-2.2 4,-2.0 1,-0.3 3,-0.4 0.906 100.4 54.1 -51.8 -45.7 -22.7 -11.3 33.6 80 84 A T H 3X S+ 0 0 9 -4,-2.2 4,-2.4 1,-0.2 -1,-0.3 0.784 104.7 54.9 -62.3 -27.7 -19.2 -12.2 32.6 81 85 A V H S+ 0 0 0 -4,-2.2 5,-2.7 2,-0.2 3,-0.5 0.863 106.5 52.4 -70.4 -37.2 -6.3 -8.2 42.0 92 96 A H H ><5S+ 0 0 88 -4,-1.6 3,-1.3 -3,-0.3 -2,-0.2 0.850 107.3 53.7 -68.5 -31.3 -5.6 -4.5 42.5 93 97 A R H 3<5S+ 0 0 61 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.673 106.4 53.0 -73.9 -17.6 -6.4 -5.0 46.1 94 98 A A T 3<5S- 0 0 6 -4,-0.6 -1,-0.3 -3,-0.5 -2,-0.2 0.082 122.6-110.3 -98.2 19.1 -3.8 -7.8 46.1 95 99 A Y T < 5S+ 0 0 203 -3,-1.3 2,-0.5 1,-0.2 -3,-0.2 0.867 74.9 137.5 52.0 41.8 -1.3 -5.3 44.6 96 100 A V < - 0 0 6 -5,-2.7 2,-0.3 -8,-0.1 -1,-0.2 -0.980 58.0-122.6-115.2 127.2 -1.4 -7.1 41.2 97 101 A N + 0 0 92 -2,-0.5 30,-2.7 28,-0.3 2,-0.3 -0.537 44.6 168.8 -68.9 126.7 -1.5 -5.0 38.1 98 102 A A E -d 127 0A 5 -2,-0.3 2,-0.4 28,-0.3 30,-0.2 -0.997 24.3-161.2-148.8 138.9 -4.6 -6.0 36.1 99 103 A R E -d 128 0A 79 28,-2.5 30,-2.9 -2,-0.3 2,-0.5 -0.941 12.9-143.4-118.4 141.0 -6.6 -4.8 33.1 100 104 A L E -d 129 0A 0 -2,-0.4 11,-1.1 28,-0.2 2,-0.4 -0.899 19.0-174.6-101.5 126.8 -10.2 -5.7 32.2 101 105 A M E -de 130 111A 1 28,-3.1 30,-3.6 -2,-0.5 2,-0.4 -0.937 6.6-156.8-119.1 145.9 -11.0 -6.0 28.4 102 106 A S E -de 131 112A 0 9,-1.6 11,-2.8 -2,-0.4 30,-0.2 -0.955 22.5-144.2-125.7 138.4 -14.4 -6.6 26.9 103 107 A A S S+ 0 0 19 28,-2.0 29,-0.1 -2,-0.4 -1,-0.1 0.796 102.4 54.5 -65.8 -26.9 -15.4 -8.2 23.6 104 108 A I S S- 0 0 8 27,-0.1 -1,-0.2 -27,-0.1 31,-0.1 -0.942 104.3-116.4-106.9 112.3 -18.2 -5.6 23.7 105 109 A P - 0 0 39 0, 0.0 2,-0.4 0, 0.0 1184,-0.3 -0.175 28.2-167.7 -49.6 135.1 -16.8 -2.1 24.1 106 110 A L B >> -I 110 0B 3 4,-0.7 3,-2.3 -4,-0.1 4,-1.5 -0.776 19.7-135.8-129.6 86.8 -18.0 -0.5 27.4 107 111 A N T 34 S- 0 0 57 -2,-0.4 4,-0.1 1180,-0.4 951,-0.1 -0.134 83.1 -3.3 -51.6 122.7 -17.1 3.2 27.3 108 112 A G T 34 S+ 0 0 20 2,-0.2 951,-0.6 1,-0.1 -1,-0.3 0.297 120.8 78.1 84.0 -9.5 -15.6 4.3 30.6 109 113 A V T <4 S- 0 0 3 -3,-2.3 2,-0.3 1,-0.5 -2,-0.2 0.839 111.3 -31.4 -97.3 -42.9 -16.0 0.9 32.4 110 114 A C B < S-I 106 0B 10 -4,-1.5 -4,-0.7 -11,-0.1 -1,-0.5 -0.948 74.8 -82.6-169.3 163.6 -13.0 -1.0 30.9 111 115 A D E -e 101 0A 41 -11,-1.1 -9,-1.6 -2,-0.3 2,-0.1 -0.426 46.5-101.4 -83.6 156.9 -11.2 -1.0 27.6 112 116 A S E -e 102 0A 38 -11,-0.2 -9,-0.2 1,-0.1 -1,-0.1 -0.438 45.9 -95.6 -72.1 145.9 -12.3 -2.8 24.4 113 117 A Y + 0 0 16 -11,-2.8 2,-0.3 -2,-0.1 -1,-0.1 -0.335 45.6 170.1 -60.7 138.9 -10.6 -6.1 23.6 114 118 A S > - 0 0 23 1,-0.1 4,-2.7 231,-0.1 5,-0.2 -0.912 31.4-144.7-148.9 122.1 -7.7 -6.0 21.2 115 119 A W H > S+ 0 0 21 231,-0.6 4,-1.9 -2,-0.3 5,-0.1 0.928 104.3 47.2 -54.6 -42.6 -5.6 -9.1 20.7 116 120 A A H > S+ 0 0 36 230,-0.3 4,-2.5 1,-0.2 -1,-0.2 0.932 111.4 48.0 -65.1 -47.8 -2.5 -6.9 20.3 117 121 A E H > S+ 0 0 63 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.863 109.5 55.8 -63.7 -34.0 -3.2 -4.7 23.3 118 122 A A H X S+ 0 0 0 -4,-2.7 4,-2.5 2,-0.2 -1,-0.2 0.927 108.7 45.8 -59.8 -48.0 -3.8 -7.8 25.4 119 123 A I H X S+ 0 0 13 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.930 111.4 52.7 -61.7 -46.1 -0.3 -9.2 24.4 120 124 A S H X S+ 0 0 46 -4,-2.5 4,-0.6 1,-0.2 -2,-0.2 0.924 111.6 46.6 -54.9 -47.1 1.2 -5.8 25.2 121 125 A L H ><>S+ 0 0 12 -4,-2.5 5,-2.0 1,-0.2 3,-1.1 0.909 110.6 51.1 -64.8 -43.5 -0.4 -5.8 28.6 122 126 A L H ><5S+ 0 0 0 -4,-2.5 3,-1.2 1,-0.3 -1,-0.2 0.882 106.1 56.3 -61.4 -37.0 0.6 -9.3 29.4 123 127 A R H 3<5S+ 0 0 147 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.648 102.8 57.5 -70.4 -13.9 4.2 -8.5 28.5 124 128 A N T <<5S- 0 0 88 -3,-1.1 -1,-0.3 -4,-0.6 -2,-0.1 -0.139 124.8 -99.4-106.3 35.7 4.1 -5.7 31.1 125 129 A N T < 5S+ 0 0 106 -3,-1.2 2,-0.4 1,-0.2 -28,-0.3 0.761 78.2 143.1 53.9 27.1 3.2 -8.0 34.0 126 130 A R < - 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0 0 20 -3,-0.9 2,-0.6 -6,-0.2 -3,-0.1 -0.601 36.3-174.8 -79.7 118.5 -11.2 -45.5 37.7 178 182 A T - 0 0 103 -2,-0.5 -10,-0.2 -8,-0.0 3,-0.1 -0.838 23.3-131.2-120.1 104.1 -8.0 -43.9 36.6 179 183 A M - 0 0 45 -2,-0.6 -12,-0.2 -12,-0.1 -9,-0.0 -0.136 32.7-115.2 -41.7 116.3 -7.9 -40.2 35.7 180 184 A Y - 0 0 48 -14,-2.0 -14,-0.2 1,-0.1 3,-0.1 0.011 22.2-161.2 -51.9 167.3 -6.2 -39.8 32.4 181 185 A E S S+ 0 0 104 1,-0.5 53,-1.2 52,-0.1 2,-0.3 0.616 71.3 5.5-124.9 -33.4 -2.9 -37.9 32.5 182 186 A Q E +g 234 0A 106 51,-0.2 -1,-0.5 -16,-0.1 2,-0.3 -0.976 63.8 171.2-152.7 146.1 -2.6 -37.0 28.9 183 187 A L E -g 235 0A 0 51,-2.1 53,-2.1 -2,-0.3 2,-0.3 -0.827 25.3-122.9-139.5 176.2 -4.7 -37.3 25.8 184 188 A T > - 0 0 29 -2,-0.3 4,-2.2 51,-0.2 5,-0.2 -0.884 29.8-113.1-120.3 158.7 -4.8 -36.1 22.2 185 189 A Y H > S+ 0 0 4 51,-0.5 4,-1.8 -2,-0.3 3,-0.2 0.944 123.2 45.6 -53.8 -47.2 -7.5 -34.1 20.5 186 190 A S H > S+ 0 0 47 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.911 110.6 53.7 -59.3 -44.4 -8.2 -37.2 18.3 187 191 A E H > S+ 0 0 64 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.808 108.6 50.0 -62.8 -30.6 -8.0 -39.5 21.4 188 192 A V H <>S+ 0 0 2 -4,-2.2 5,-2.6 -3,-0.2 -1,-0.2 0.874 113.3 43.2 -78.3 -39.9 -10.7 -37.4 23.2 189 193 A L H ><5S+ 0 0 57 -4,-1.8 3,-1.2 -5,-0.2 -2,-0.2 0.923 115.7 50.5 -68.2 -45.1 -13.2 -37.3 20.3 190 194 A E H 3<5S+ 0 0 159 -4,-2.7 -2,-0.2 1,-0.3 -3,-0.2 0.937 113.8 42.2 -58.8 -52.0 -12.6 -41.0 19.7 191 195 A K T 3<5S- 0 0 98 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.355 109.8-127.4 -79.1 7.7 -13.1 -42.1 23.3 192 196 A E T < 5 + 0 0 175 -3,-1.2 2,-0.3 1,-0.2 -3,-0.2 0.912 45.4 172.5 43.6 58.6 -16.0 -39.6 23.4 193 197 A L < - 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0 0 28 -2,-0.3 4,-2.2 51,-0.2 5,-0.2 -0.884 30.1-112.4-120.5 158.7 -28.9 -35.8 9.2 891 189 D Y H > S+ 0 0 4 51,-0.5 4,-1.8 -2,-0.3 5,-0.2 0.934 123.3 45.7 -53.5 -46.0 -26.3 -34.0 11.3 892 190 D S H > S+ 0 0 48 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.906 110.4 53.8 -60.8 -43.4 -25.5 -37.4 12.9 893 191 D E H > S+ 0 0 66 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.809 108.6 50.0 -63.5 -31.0 -25.5 -39.1 9.5 894 192 D V H <>S+ 0 0 3 -4,-2.2 5,-2.6 2,-0.2 -1,-0.2 0.879 113.4 43.1 -77.1 -40.7 -22.9 -36.5 8.2 895 193 D L H ><5S+ 0 0 59 -4,-1.8 3,-1.1 -5,-0.2 -2,-0.2 0.921 115.8 50.2 -68.2 -44.7 -20.5 -36.9 11.1 896 194 D E H 3<5S+ 0 0 157 -4,-2.7 -2,-0.2 1,-0.3 -3,-0.2 0.937 114.1 42.2 -59.5 -51.9 -20.9 -40.6 11.1 897 195 D K T 3<5S- 0 0 98 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.350 109.7-127.6 -79.1 7.8 -20.3 -41.0 7.3 898 196 D E T < 5 + 0 0 178 -3,-1.1 2,-0.3 1,-0.2 -3,-0.2 0.913 45.2 172.4 43.6 58.5 -17.5 -38.5 7.7 899 197 D L < - 0 0 38 -5,-2.6 2,-1.3 -6,-0.1 3,-0.3 -0.745 36.9-124.2 -98.5 144.5 -18.8 -36.2 4.9 900 198 D K + 0 0 200 -2,-0.3 3,-0.1 1,-0.2 -5,-0.0 -0.690 55.5 137.3 -89.2 88.7 -17.3 -32.8 4.1 901 199 D V S S- 0 0 8 -2,-1.3 2,-0.3 1,-0.4 -1,-0.2 0.856 73.4 -38.2 -93.3 -51.8 -20.3 -30.4 4.3 902 200 D M S S- 0 0 21 -3,-0.3 -1,-0.4 -51,-0.0 5,-0.2 -0.977 85.1 -46.6-164.4 166.8 -18.6 -27.6 6.2 903 201 D D > - 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