==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 05-MAY-05 2BRI . COMPND 2 MOLECULE: URIDYLATE KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS FURIOSUS; . AUTHOR C.MARCO-MARIN,F.GIL-ORTIZ,V.RUBIO . 450 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20441.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 327 72.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 58 12.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 12 2.7 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 . 3 0.7 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 . 34 7.6 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 . 161 35.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 2.0 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 3 1 1 1 1 2 2 1 2 1 2 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 4 0 1 2 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 PARALLEL BRIDGES PER LADDER . 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 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 1 A X 0 0 111 0, 0.0 36,-2.1 0, 0.0 2,-0.6 0.000 360.0 360.0 360.0 144.5 71.5 80.3 49.8 2 2 A R E -a 37 0A 95 34,-0.2 132,-2.6 130,-0.2 133,-1.1 -0.891 360.0-173.1-100.1 119.4 74.2 82.7 48.6 3 3 A I E -ab 38 135A 2 34,-3.6 36,-2.4 -2,-0.6 2,-0.5 -0.929 17.1-155.0-123.0 141.6 72.7 85.4 46.5 4 4 A V E -ab 39 136A 1 131,-2.1 133,-3.1 -2,-0.4 2,-0.6 -0.941 8.4-156.4-114.4 129.6 74.1 88.2 44.3 5 5 A F E -ab 40 137A 0 34,-3.0 36,-2.6 -2,-0.5 2,-0.9 -0.918 4.6-166.5-111.0 118.0 72.2 91.4 43.6 6 6 A D E -ab 41 138A 2 131,-3.0 133,-1.0 -2,-0.6 2,-0.8 -0.778 14.2-167.9-102.2 86.8 73.1 93.4 40.5 7 7 A I E -ab 42 139A 0 34,-1.5 36,-2.1 -2,-0.9 133,-0.2 -0.670 20.2-127.7 -83.3 105.4 71.3 96.7 41.1 8 8 A G >> - 0 0 14 131,-2.4 4,-1.7 -2,-0.8 3,-1.2 -0.217 11.0-133.9 -52.7 130.1 71.2 98.9 37.9 9 9 A G H 3> S+ 0 0 4 1,-0.3 4,-4.0 2,-0.2 37,-0.2 0.880 105.1 62.7 -53.8 -41.9 72.5 102.4 38.6 10 10 A S H 34 S+ 0 0 27 1,-0.2 -1,-0.3 2,-0.2 130,-0.1 0.856 106.8 46.8 -52.6 -34.5 69.6 103.9 36.7 11 11 A V H <4 S+ 0 0 6 -3,-1.2 -1,-0.2 128,-0.2 -2,-0.2 0.911 117.6 39.8 -74.7 -43.5 67.4 102.3 39.4 12 12 A L H < S+ 0 0 0 -4,-1.7 6,-2.4 1,-0.3 -2,-0.2 0.899 135.4 19.0 -72.7 -43.0 69.4 103.4 42.3 13 13 A V < + 0 0 0 -4,-4.0 33,-1.0 4,-0.2 34,-0.4 -0.750 68.2 166.5-132.2 82.8 70.1 106.9 41.0 14 14 A P S S- 0 0 59 0, 0.0 32,-0.2 0, 0.0 -1,-0.1 0.973 89.5 -31.3 -57.9 -59.7 67.6 107.7 38.2 15 15 A E S S+ 0 0 100 1,-0.8 32,-0.2 31,-0.1 -2,-0.1 0.528 140.5 6.0-122.4 -67.5 68.5 111.4 38.2 16 16 A N S S- 0 0 79 1,-0.1 -1,-0.8 30,-0.1 2,-0.3 -0.475 111.0 -61.3-107.9-179.8 69.5 112.0 41.8 17 17 A P - 0 0 17 0, 0.0 2,-2.1 0, 0.0 -4,-0.2 -0.544 47.6-131.4 -70.6 128.7 69.8 109.4 44.5 18 18 A D > - 0 0 43 -6,-2.4 4,-2.8 -2,-0.3 5,-0.2 -0.546 28.1-174.9 -78.9 78.2 66.4 107.7 44.9 19 19 A I H > S+ 0 0 35 -2,-2.1 4,-2.6 1,-0.2 -1,-0.2 0.864 78.2 48.1 -40.1 -54.6 66.4 108.0 48.7 20 20 A D H > S+ 0 0 115 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.960 111.7 47.0 -56.9 -56.8 63.2 106.1 49.2 21 21 A F H > S+ 0 0 11 1,-0.2 4,-3.4 2,-0.2 5,-0.4 0.895 111.6 54.0 -52.8 -42.1 64.1 103.2 46.9 22 22 A I H X S+ 0 0 0 -4,-2.8 4,-2.8 1,-0.2 -1,-0.2 0.953 108.7 47.0 -56.8 -52.4 67.5 103.1 48.7 23 23 A K H X S+ 0 0 110 -4,-2.6 4,-2.2 -5,-0.2 -1,-0.2 0.864 116.4 47.1 -57.7 -38.0 65.9 102.8 52.1 24 24 A E H X S+ 0 0 70 -4,-2.5 4,-3.2 2,-0.2 5,-0.2 0.984 113.5 42.9 -69.0 -60.7 63.6 100.1 50.8 25 25 A I H X S+ 0 0 0 -4,-3.4 4,-3.4 1,-0.2 5,-0.2 0.882 114.4 53.8 -55.1 -38.0 66.1 97.9 49.0 26 26 A A H X S+ 0 0 4 -4,-2.8 4,-3.8 -5,-0.4 5,-0.3 0.973 110.8 45.9 -58.7 -53.1 68.4 98.3 51.9 27 27 A Y H X S+ 0 0 141 -4,-2.2 4,-1.6 -5,-0.2 -2,-0.2 0.896 114.3 48.0 -54.5 -47.1 65.6 97.1 54.2 28 28 A Q H X S+ 0 0 7 -4,-3.2 4,-2.8 2,-0.2 -1,-0.2 0.923 115.1 45.8 -61.7 -46.1 64.8 94.3 51.8 29 29 A L H X S+ 0 0 0 -4,-3.4 4,-2.8 2,-0.2 5,-0.3 0.970 109.7 51.8 -61.2 -56.4 68.5 93.3 51.6 30 30 A T H < S+ 0 0 39 -4,-3.8 4,-0.4 1,-0.2 -1,-0.2 0.834 112.5 51.8 -48.7 -32.6 69.1 93.6 55.4 31 31 A K H >< S+ 0 0 55 -4,-1.6 3,-1.8 -5,-0.3 4,-0.3 0.981 109.4 44.8 -68.8 -59.5 66.1 91.3 55.5 32 32 A V H >< S+ 0 0 0 -4,-2.8 3,-1.2 1,-0.3 -2,-0.2 0.803 105.1 62.8 -57.3 -32.7 67.3 88.6 53.0 33 33 A S G >< S+ 0 0 23 -4,-2.8 3,-0.8 1,-0.2 -1,-0.3 0.672 81.0 84.5 -68.9 -15.1 70.8 88.6 54.6 34 34 A E G < S+ 0 0 122 -3,-1.8 -1,-0.2 -4,-0.4 -2,-0.2 0.833 114.9 8.3 -56.9 -32.1 69.2 87.3 57.9 35 35 A D G < S+ 0 0 136 -3,-1.2 2,-0.3 -4,-0.3 -1,-0.2 -0.040 126.9 57.5-142.0 35.4 69.3 83.8 56.5 36 36 A H S < S- 0 0 37 -3,-0.8 2,-0.5 -33,-0.0 -34,-0.2 -0.969 79.6-108.8-156.2 161.8 71.3 84.0 53.3 37 37 A E E -a 2 0A 84 -36,-2.1 -34,-3.6 -2,-0.3 2,-0.4 -0.870 41.8-162.7 -97.0 129.4 74.8 85.2 52.1 38 38 A V E +a 3 0A 6 -2,-0.5 2,-0.4 -36,-0.2 -34,-0.2 -0.950 19.7 175.3-127.2 129.8 74.5 88.4 50.1 39 39 A A E -a 4 0A 2 -36,-2.4 -34,-3.0 -2,-0.4 2,-0.3 -0.966 14.6-162.8-123.9 139.3 76.7 90.2 47.7 40 40 A V E -ac 5 110A 1 69,-3.1 71,-2.6 -2,-0.4 2,-0.4 -0.894 12.2-166.1-124.7 154.7 75.7 93.3 45.8 41 41 A V E -ac 6 111A 0 -36,-2.6 -34,-1.5 -2,-0.3 2,-0.3 -0.978 16.6-154.1-138.2 121.9 77.0 95.2 42.7 42 42 A V E -a 7 0A 0 69,-3.5 -34,-0.2 -2,-0.4 35,-0.2 -0.751 9.0-129.5-103.3 146.7 75.8 98.7 42.0 43 43 A G - 0 0 1 -36,-2.1 33,-0.1 -2,-0.3 -30,-0.1 -0.455 11.0-130.2 -90.8 163.6 75.5 100.6 38.7 44 44 A G > + 0 0 8 -2,-0.1 4,-0.7 1,-0.1 3,-0.3 0.907 45.0 174.3 -76.2 -45.3 76.7 104.0 37.7 45 45 A G H > - 0 0 14 1,-0.2 4,-2.0 2,-0.2 -35,-0.1 -0.314 53.0 -20.4 77.0-156.2 73.5 105.2 36.1 46 46 A K H > S+ 0 0 58 -33,-1.0 4,-2.0 -32,-0.2 -1,-0.2 0.948 135.7 52.2 -54.5 -57.6 72.7 108.7 34.7 47 47 A L H > S+ 0 0 14 -34,-0.4 4,-1.9 -3,-0.3 -1,-0.2 0.845 107.7 53.5 -50.7 -40.0 75.4 110.5 36.7 48 48 A A H X S+ 0 0 10 -4,-0.7 4,-2.3 1,-0.2 -1,-0.2 0.968 106.7 51.5 -61.4 -52.5 78.0 108.0 35.3 49 49 A R H X S+ 0 0 136 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.874 107.8 53.0 -51.1 -44.5 77.0 108.7 31.7 50 50 A K H X S+ 0 0 60 -4,-2.0 4,-1.8 1,-0.2 -1,-0.2 0.930 109.6 46.3 -61.1 -47.7 77.3 112.4 32.2 51 51 A Y H X S+ 0 0 8 -4,-1.9 4,-1.6 1,-0.2 -1,-0.2 0.890 110.3 55.1 -63.6 -36.1 80.8 112.2 33.5 52 52 A I H X S+ 0 0 46 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.916 104.6 55.0 -60.6 -44.6 81.7 109.8 30.7 53 53 A E H >X S+ 0 0 118 -4,-2.2 4,-2.1 2,-0.2 3,-0.5 0.942 102.7 53.1 -54.4 -54.9 80.5 112.4 28.1 54 54 A V H 3< S+ 0 0 10 -4,-1.8 4,-0.4 1,-0.3 3,-0.2 0.917 109.5 50.6 -48.2 -47.6 82.7 115.2 29.4 55 55 A A H ><>S+ 0 0 0 -4,-1.6 5,-1.9 1,-0.2 3,-1.2 0.862 106.4 55.6 -59.2 -37.3 85.7 112.9 29.0 56 56 A E H X<5S+ 0 0 90 -4,-1.8 3,-2.4 -3,-0.5 -1,-0.2 0.885 99.2 60.1 -62.6 -39.4 84.5 112.0 25.4 57 57 A K T 3<5S+ 0 0 96 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.600 108.2 45.6 -65.8 -9.3 84.6 115.7 24.5 58 58 A F T < 5S- 0 0 5 -3,-1.2 -1,-0.3 -4,-0.4 -2,-0.2 0.133 115.8-120.7-116.5 15.6 88.3 115.6 25.4 59 59 A N T < 5 + 0 0 111 -3,-2.4 -3,-0.2 1,-0.2 2,-0.1 0.811 46.8 174.8 47.9 45.8 88.7 112.4 23.4 60 60 A S < - 0 0 21 -5,-1.9 -1,-0.2 1,-0.1 -2,-0.0 -0.453 36.0 -91.8 -79.4 153.9 90.0 110.3 26.3 61 61 A S > - 0 0 71 -2,-0.1 4,-2.5 1,-0.1 5,-0.2 -0.093 31.3-110.6 -59.7 159.6 90.6 106.6 25.8 62 62 A E H > S+ 0 0 123 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.943 121.7 54.1 -55.1 -48.0 87.9 103.9 26.5 63 63 A T H > S+ 0 0 77 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.937 107.1 49.0 -51.1 -54.6 90.1 102.9 29.5 64 64 A F H > S+ 0 0 34 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.923 111.3 50.4 -54.2 -47.1 90.1 106.4 30.9 65 65 A K H X S+ 0 0 29 -4,-2.5 4,-2.6 1,-0.2 3,-0.4 0.950 107.4 53.1 -56.2 -52.1 86.4 106.7 30.5 66 66 A D H X S+ 0 0 34 -4,-2.8 4,-3.6 1,-0.3 -1,-0.2 0.900 104.4 55.9 -49.6 -48.8 85.8 103.4 32.3 67 67 A F H X S+ 0 0 98 -4,-2.2 4,-3.0 1,-0.2 -1,-0.3 0.910 109.1 47.5 -51.0 -46.0 87.8 104.5 35.3 68 68 A I H X S+ 0 0 0 -4,-1.7 4,-2.2 -3,-0.4 -2,-0.2 0.958 111.5 49.4 -61.7 -51.9 85.6 107.6 35.6 69 69 A G H X S+ 0 0 11 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.933 111.1 51.3 -52.4 -46.9 82.5 105.4 35.3 70 70 A I H X S+ 0 0 17 -4,-3.6 4,-2.7 1,-0.2 43,-0.4 0.954 103.8 56.2 -55.8 -53.4 83.9 103.2 38.0 71 71 A Q H X S+ 0 0 27 -4,-3.0 4,-1.3 1,-0.2 -1,-0.2 0.914 112.0 45.6 -43.7 -48.4 84.6 106.1 40.3 72 72 A I H X S+ 0 0 2 -4,-2.2 4,-2.2 2,-0.2 3,-0.3 0.923 107.8 52.8 -64.1 -49.0 80.9 106.9 40.0 73 73 A T H X S+ 0 0 11 -4,-2.7 4,-3.2 1,-0.3 -1,-0.2 0.917 110.3 51.5 -54.5 -40.9 79.5 103.4 40.5 74 74 A R H X S+ 0 0 39 -4,-2.7 4,-1.9 1,-0.2 -1,-0.3 0.839 105.2 54.7 -65.1 -33.3 81.6 103.3 43.7 75 75 A A H < S+ 0 0 2 -4,-1.3 4,-0.5 -3,-0.3 -1,-0.2 0.893 112.7 43.4 -66.5 -38.3 80.1 106.6 44.8 76 76 A N H >X S+ 0 0 0 -4,-2.2 3,-2.1 2,-0.2 4,-1.3 0.943 108.6 57.5 -70.1 -48.7 76.7 105.0 44.4 77 77 A A H 3X S+ 0 0 0 -4,-3.2 4,-2.6 1,-0.3 3,-0.3 0.876 101.9 56.6 -48.8 -42.3 77.7 101.8 46.0 78 78 A X H 3X S+ 0 0 4 -4,-1.9 4,-1.4 1,-0.2 -1,-0.3 0.720 98.2 61.9 -65.7 -20.2 78.7 103.8 49.1 79 79 A L H <> S+ 0 0 0 -3,-2.1 4,-2.3 -4,-0.5 -1,-0.2 0.929 108.9 41.0 -70.2 -43.7 75.2 105.2 49.3 80 80 A L H X S+ 0 0 0 -4,-1.3 4,-3.4 -3,-0.3 -2,-0.2 0.950 109.2 58.3 -67.1 -49.3 73.8 101.7 49.8 81 81 A I H < S+ 0 0 8 -4,-2.6 7,-0.3 1,-0.2 -1,-0.2 0.869 109.7 48.2 -46.1 -37.7 76.7 100.8 52.1 82 82 A A H >< S+ 0 0 6 -4,-1.4 3,-1.6 -5,-0.2 -1,-0.2 0.955 111.2 46.8 -68.6 -51.8 75.4 103.7 54.1 83 83 A A H 3< S+ 0 0 6 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.855 102.3 65.5 -59.5 -37.0 71.8 102.6 54.1 84 84 A L T >< S- 0 0 0 -4,-3.4 3,-2.1 1,-0.2 4,-0.5 0.405 86.6-168.6 -69.1 5.3 72.7 99.1 55.0 85 85 A R G X - 0 0 125 -3,-1.6 3,-0.7 1,-0.3 -1,-0.2 -0.082 63.4 -10.3 44.7-131.5 73.9 100.4 58.4 86 86 A E G 3 S+ 0 0 137 1,-0.2 -1,-0.3 21,-0.0 -4,-0.1 0.064 126.2 73.7 -85.0 22.9 75.9 97.8 60.5 87 87 A K G < S+ 0 0 58 -3,-2.1 21,-1.9 -6,-0.2 -1,-0.2 0.679 82.8 73.3-107.2 -24.4 75.0 95.0 58.1 88 88 A A B < S-h 108 0B 6 -3,-0.7 -7,-0.0 -4,-0.5 -58,-0.0 -0.509 96.7 -89.5 -93.0 158.6 77.2 95.8 55.2 89 89 A Y - 0 0 35 19,-2.3 21,-0.3 -2,-0.2 -1,-0.1 -0.534 49.6-116.4 -64.3 125.9 81.0 95.5 54.7 90 90 A P S S+ 0 0 93 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.696 88.5 27.8 -32.6 -47.3 82.2 99.0 56.0 91 91 A V S S- 0 0 61 1,-0.1 19,-0.4 202,-0.0 2,-0.1 -0.777 98.1 -77.9-123.9 167.3 83.7 100.2 52.7 92 92 A V - 0 0 12 -2,-0.3 2,-0.3 17,-0.1 19,-0.2 -0.409 47.6-130.9 -62.9 135.5 83.2 99.7 49.0 93 93 A V B -d 111 0A 2 17,-2.0 19,-0.8 1,-0.1 3,-0.1 -0.667 21.2-173.3 -88.7 144.5 84.7 96.4 47.8 94 94 A E + 0 0 104 -2,-0.3 2,-0.3 1,-0.3 -1,-0.1 0.516 62.7 28.8-116.7 -8.0 86.9 96.5 44.7 95 95 A D S >> S- 0 0 48 1,-0.1 3,-1.8 19,-0.0 4,-1.6 -0.968 75.1-111.2-159.1 143.4 87.6 92.8 44.0 96 96 A F H 3> S+ 0 0 41 -2,-0.3 4,-2.7 1,-0.3 5,-0.1 0.742 111.2 52.1 -34.1 -55.8 86.1 89.3 44.4 97 97 A W H 3> S+ 0 0 156 1,-0.2 4,-1.7 2,-0.2 -1,-0.3 0.820 111.8 49.1 -61.0 -28.4 88.5 87.8 47.0 98 98 A E H <> S+ 0 0 43 -3,-1.8 4,-1.8 2,-0.2 -1,-0.2 0.851 110.3 50.4 -76.2 -34.4 87.8 90.9 49.2 99 99 A A H X S+ 0 0 0 -4,-1.6 4,-2.1 2,-0.2 -2,-0.2 0.863 106.8 56.7 -68.4 -35.5 84.1 90.4 48.6 100 100 A W H X S+ 0 0 125 -4,-2.7 4,-2.4 -5,-0.2 -2,-0.2 0.936 104.4 51.1 -59.5 -48.0 84.7 86.8 49.6 101 101 A K H X S+ 0 0 91 -4,-1.7 4,-2.3 1,-0.2 -1,-0.2 0.900 107.0 54.4 -56.7 -42.7 86.2 87.9 52.9 102 102 A A H <>S+ 0 0 0 -4,-1.8 5,-2.2 1,-0.2 -1,-0.2 0.918 107.1 50.0 -58.9 -44.4 83.1 90.0 53.5 103 103 A V H ><5S+ 0 0 16 -4,-2.1 3,-2.0 1,-0.2 -1,-0.2 0.920 107.9 54.1 -60.5 -43.8 80.9 87.0 53.0 104 104 A Q H 3<5S+ 0 0 91 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.928 105.0 53.1 -55.0 -47.5 83.0 85.1 55.5 105 105 A L T 3<5S- 0 0 104 -4,-2.3 -1,-0.3 -5,-0.1 -2,-0.2 0.278 119.3-114.1 -74.1 15.2 82.5 87.8 58.1 106 106 A K T < 5S+ 0 0 186 -3,-2.0 2,-0.3 1,-0.2 -3,-0.2 0.901 76.0 127.9 51.3 47.0 78.7 87.4 57.5 107 107 A K < - 0 0 80 -5,-2.2 -19,-0.2 -6,-0.1 -1,-0.2 -0.874 65.7-106.9-127.8 160.4 78.6 91.0 56.1 108 108 A I B -h 88 0B 3 -21,-1.9 -19,-2.3 -2,-0.3 2,-0.4 -0.775 28.2-152.1 -95.3 108.7 77.2 92.3 52.8 109 109 A P - 0 0 0 0, 0.0 -69,-3.1 0, 0.0 2,-0.6 -0.629 8.9-162.6 -78.9 126.0 79.8 93.3 50.3 110 110 A V E -c 40 0A 0 -2,-0.4 -17,-2.0 -19,-0.4 2,-0.3 -0.950 9.4-165.7-112.3 121.0 78.7 96.1 48.0 111 111 A X E -cd 41 93A 1 -71,-2.6 -69,-3.5 -2,-0.6 -17,-0.1 -0.778 17.3-170.3-108.4 150.5 80.7 96.6 44.8 112 112 A G - 0 0 0 -19,-0.8 2,-0.2 1,-0.5 -1,-0.1 0.284 66.6 -38.2-100.4-126.3 80.8 99.3 42.3 113 113 A G - 0 0 5 -43,-0.4 -1,-0.5 1,-0.2 6,-0.1 -0.514 53.1-148.4 -94.7 169.1 82.8 98.4 39.2 114 114 A T - 0 0 24 1,-0.4 -1,-0.2 4,-0.2 3,-0.1 0.722 61.8 -23.6 -99.2 -92.8 86.0 96.4 39.4 115 115 A H S S- 0 0 107 1,-0.1 -1,-0.4 -45,-0.0 3,-0.3 -0.763 85.1 -70.3-118.5 166.4 88.6 97.2 36.7 116 116 A P S S+ 0 0 30 0, 0.0 -1,-0.1 0, 0.0 -53,-0.1 -0.148 109.4 44.7 -55.7 147.9 88.2 98.8 33.3 117 117 A G S S+ 0 0 42 -55,-0.1 2,-0.3 1,-0.1 -54,-0.0 0.736 88.7 96.7 91.9 25.2 86.5 96.8 30.6 118 118 A H - 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0 0 10 -2,-0.3 4,-2.7 -3,-0.3 5,-0.2 -0.192 28.5-129.9 -48.9 127.3 87.4 126.6 54.8 412 186 B P H > S+ 0 0 10 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.900 107.7 45.0 -44.4 -56.9 88.1 127.9 58.4 413 187 B L H > S+ 0 0 69 -10,-0.3 4,-1.6 1,-0.2 5,-0.1 0.894 111.3 54.7 -59.6 -40.2 90.7 125.3 59.2 414 188 B A H > S+ 0 0 1 1,-0.2 4,-2.0 2,-0.2 3,-0.3 0.942 107.1 51.9 -57.7 -47.9 92.3 125.9 55.8 415 189 B A H X S+ 0 0 1 -4,-2.7 4,-2.5 1,-0.3 3,-0.3 0.940 107.0 50.2 -53.8 -54.4 92.5 129.6 56.6 416 190 B K H X S+ 0 0 97 -4,-2.2 4,-1.8 1,-0.3 -1,-0.3 0.824 108.0 55.9 -57.4 -29.2 94.3 129.1 60.0 417 191 B I H X S+ 0 0 3 -4,-1.6 4,-1.5 -3,-0.3 -1,-0.3 0.926 108.5 46.2 -67.9 -42.1 96.7 126.8 58.1 418 192 B I H X S+ 0 0 5 -4,-2.0 4,-3.1 -3,-0.3 5,-0.5 0.855 106.4 62.2 -65.2 -36.6 97.5 129.8 55.8 419 193 B A H < S+ 0 0 24 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.931 110.9 35.5 -55.5 -50.4 97.8 132.0 58.8 420 194 B R H < S+ 0 0 138 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.713 122.4 46.0 -79.5 -21.2 100.7 130.1 60.3 421 195 B S H < S- 0 0 35 -4,-1.5 -2,-0.2 -5,-0.2 -1,-0.2 0.713 89.9-155.8 -90.3 -23.8 102.2 129.3 56.8 422 196 B G < + 0 0 26 -4,-3.1 2,-0.5 1,-0.2 -3,-0.2 0.811 30.1 161.4 52.4 36.0 101.7 132.9 55.7 423 197 B I - 0 0 31 -5,-0.5 -1,-0.2 27,-0.1 -62,-0.1 -0.777 49.6-101.3 -92.2 126.0 101.7 132.0 52.0 424 198 B K - 0 0 68 -2,-0.5 -62,-2.2 -64,-0.5 2,-0.4 -0.134 44.4-167.4 -44.6 125.9 100.2 134.6 49.7 425 199 B T E -nP 362 449D 0 24,-3.4 24,-2.0 -64,-0.2 2,-0.4 -0.975 10.1-163.1-129.4 124.2 96.6 133.5 48.9 426 200 B I E -nP 363 448D 0 -64,-1.9 -62,-3.8 -2,-0.4 2,-0.5 -0.802 3.4-161.6-102.5 143.1 94.4 134.9 46.2 427 201 B V E +nP 364 447D 0 20,-2.6 20,-2.0 -2,-0.4 -56,-0.2 -0.968 24.5 152.0-128.1 115.4 90.7 134.3 46.1 428 202 B I E -n 365 0D 0 -64,-1.9 -62,-1.5 -2,-0.5 -60,-0.4 -0.662 34.6-117.1-130.5-174.3 88.8 134.9 42.9 429 203 B G > - 0 0 8 -60,-0.3 4,-2.2 -2,-0.2 -62,-0.1 -0.543 44.2 -87.1-116.6-175.6 85.7 133.8 40.9 430 204 B K H > S+ 0 0 71 1,-0.2 4,-0.6 2,-0.2 -63,-0.1 0.803 122.8 60.8 -66.1 -26.8 85.2 132.0 37.6 431 205 B E H >4 S+ 0 0 129 2,-0.2 3,-1.4 1,-0.2 4,-0.3 0.978 111.9 34.1 -63.4 -58.7 85.3 135.4 35.8 432 206 B D H >4 S+ 0 0 25 1,-0.3 3,-2.3 2,-0.2 7,-0.3 0.866 109.0 71.5 -63.8 -33.4 88.8 136.4 36.9 433 207 B A H 3< S+ 0 0 0 -4,-2.2 3,-0.3 1,-0.3 -1,-0.3 0.694 80.8 74.3 -54.9 -21.2 89.6 132.7 36.7 434 208 B K T << S+ 0 0 68 -3,-1.4 2,-0.5 -4,-0.6 -1,-0.3 0.776 102.0 39.7 -66.0 -26.3 89.4 133.0 32.9 435 209 B D <> + 0 0 71 -3,-2.3 4,-1.9 -4,-0.3 -1,-0.3 -0.822 63.6 169.0-127.5 93.3 92.7 134.8 32.8 436 210 B L H > S+ 0 0 0 -2,-0.5 4,-4.0 -3,-0.3 5,-0.4 0.869 76.0 60.2 -71.7 -37.5 95.2 133.2 35.2 437 211 B F H > S+ 0 0 61 1,-0.2 4,-1.2 2,-0.2 6,-0.2 0.930 111.1 41.1 -56.2 -46.9 98.2 135.1 33.9 438 212 B R H 4>S+ 0 0 147 2,-0.2 5,-1.8 1,-0.1 -1,-0.2 0.910 117.8 51.1 -65.8 -40.4 96.6 138.4 34.8 439 213 B V H ><5S+ 0 0 1 -4,-1.9 3,-1.2 -7,-0.3 -2,-0.2 0.981 112.1 41.5 -60.5 -62.1 95.4 136.8 38.0 440 214 B I H 3<5S+ 0 0 16 -4,-4.0 -1,-0.2 1,-0.3 -2,-0.2 0.735 107.9 65.7 -61.2 -20.1 98.7 135.4 39.3 441 215 B K T 3<5S- 0 0 152 -4,-1.2 -1,-0.3 -5,-0.4 -2,-0.1 -0.085 122.8-103.8 -93.1 35.8 100.2 138.6 38.1 442 216 B G T < 5S+ 0 0 44 -3,-1.2 2,-1.1 1,-0.1 -3,-0.2 0.233 87.7 120.9 67.3 -15.1 98.3 140.5 40.8 443 217 B D < + 0 0 86 -5,-1.8 2,-0.3 -6,-0.2 -2,-0.2 -0.699 44.8 94.2 -87.6 100.0 95.8 141.9 38.3 444 218 B H S S- 0 0 23 -2,-1.1 -16,-0.0 2,-0.1 -5,-0.0 -0.921 72.5-113.7-163.7-174.5 92.3 140.7 39.4 445 219 B N S S+ 0 0 91 -2,-0.3 2,-0.1 -76,-0.1 -2,-0.1 0.082 80.0 86.8-125.9 25.0 89.2 141.6 41.4 446 220 B G S S- 0 0 0 -76,-0.1 2,-0.4 1,-0.1 -18,-0.2 -0.154 86.4 -69.6-104.2-158.4 89.3 139.1 44.2 447 221 B T E - P 0 427D 0 -20,-2.0 -20,-2.6 -2,-0.1 2,-0.6 -0.821 29.8-157.3-102.2 136.8 91.0 139.1 47.6 448 222 B T E -oP 387 426D 15 -62,-2.0 -60,-0.7 -2,-0.4 -22,-0.3 -0.711 19.3-167.3-114.7 80.7 94.8 138.8 48.1 449 223 B I E +oP 388 425D 0 -24,-2.0 -24,-3.4 -2,-0.6 -60,-0.2 -0.418 26.9 122.9 -69.9 136.5 95.3 137.4 51.6 450 224 B E 0 0 65 -62,-1.9 -27,-0.1 -26,-0.2 -62,-0.1 -0.963 360.0 360.0-177.6 172.1 98.7 137.5 53.1 451 225 B P 0 0 92 0, 0.0 -63,-0.1 0, 0.0 -32,-0.0 -0.129 360.0 360.0 -63.5 360.0 100.8 138.8 56.1