==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 20-MAY-97 2UKD . COMPND 2 MOLECULE: URIDYLMONOPHOSPHATE/CYTIDYLMONOPHOSPHATE KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: DICTYOSTELIUM DISCOIDEUM; . AUTHOR I.SCHLICHTING,J.REINSTEIN . 191 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9894.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 153 80.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 25 13.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 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 . 14 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 90 47.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 4.2 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 0 0 0 0 1 3 0 1 1 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 2 1 0 1 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 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 1 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 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 4 A S 0 0 169 0, 0.0 79,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 148.9 68.3 68.4 -11.2 2 5 A K - 0 0 100 1,-0.1 104,-0.2 77,-0.1 103,-0.1 -0.506 360.0-105.6 -71.1 140.7 65.3 69.1 -13.5 3 6 A P - 0 0 13 0, 0.0 104,-2.8 0, 0.0 2,-0.4 -0.216 25.0-124.5 -60.3 145.1 61.8 68.2 -12.1 4 7 A N E -a 107 0A 32 102,-0.2 79,-2.7 104,-0.1 2,-0.4 -0.776 27.6-160.7 -84.5 140.1 59.9 65.2 -13.3 5 8 A V E -ab 108 83A 0 102,-1.9 104,-2.7 -2,-0.4 105,-0.6 -0.985 11.1-170.2-125.4 131.7 56.4 66.1 -14.6 6 9 A V E -ab 110 84A 0 77,-1.9 79,-2.7 -2,-0.4 2,-0.4 -0.999 17.6-142.4-118.2 120.6 53.5 63.7 -15.0 7 10 A F E -ab 111 85A 0 103,-1.6 105,-3.0 -2,-0.5 2,-0.6 -0.712 12.6-152.8 -75.1 136.6 50.4 65.0 -16.9 8 11 A V E +ab 112 86A 0 77,-2.8 79,-2.7 80,-0.4 80,-0.4 -0.962 24.6 169.4-118.0 108.9 47.2 63.8 -15.4 9 12 A L E +a 113 0A 1 103,-3.0 105,-2.4 -2,-0.6 2,-0.2 -0.811 13.6 113.8-122.0 168.6 44.4 63.5 -17.9 10 13 A G E -a 114 0A 0 -2,-0.3 105,-0.1 103,-0.2 3,-0.1 -0.781 63.1 -58.3 145.8 166.9 40.9 62.1 -18.1 11 14 A G S > S- 0 0 3 103,-0.6 3,-1.9 -2,-0.2 5,-0.3 -0.069 70.2 -71.1 -69.5 173.2 37.4 63.4 -18.5 12 15 A P T 3 S+ 0 0 5 0, 0.0 -1,-0.2 0, 0.0 113,-0.2 -0.467 124.8 13.4 -62.4 121.2 35.6 65.8 -16.2 13 16 A G T 3 S+ 0 0 12 -2,-0.2 111,-0.1 -3,-0.1 -2,-0.1 0.608 84.1 126.6 88.7 12.2 34.9 63.9 -13.0 14 17 A S S < S- 0 0 2 -3,-1.9 -3,-0.1 102,-0.1 -5,-0.0 0.660 87.3-100.0 -77.6 -9.9 37.2 61.0 -13.8 15 18 A G S > S+ 0 0 16 -4,-0.3 4,-2.4 -5,-0.1 5,-0.2 0.679 75.2 141.4 103.6 26.5 38.8 61.6 -10.4 16 19 A K H > S+ 0 0 15 -5,-0.3 4,-1.9 2,-0.2 5,-0.1 0.896 75.5 44.0 -67.7 -47.2 42.0 63.5 -11.2 17 20 A G H > S+ 0 0 36 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.939 114.2 52.5 -63.7 -39.8 42.0 65.9 -8.3 18 21 A T H > S+ 0 0 79 1,-0.2 4,-1.2 2,-0.2 -2,-0.2 0.922 113.3 40.4 -63.6 -49.5 41.1 63.1 -5.9 19 22 A Q H X S+ 0 0 9 -4,-2.4 4,-1.7 1,-0.2 -1,-0.2 0.818 111.5 58.0 -69.6 -33.6 43.9 60.7 -7.0 20 23 A C H X S+ 0 0 0 -4,-1.9 4,-2.4 -5,-0.2 -2,-0.2 0.913 101.4 56.3 -64.5 -36.2 46.4 63.6 -7.2 21 24 A A H X S+ 0 0 55 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.902 107.2 49.9 -60.7 -37.5 45.7 64.4 -3.6 22 25 A N H X S+ 0 0 26 -4,-1.2 4,-1.9 2,-0.2 -1,-0.2 0.875 109.4 49.9 -67.8 -41.3 46.7 60.9 -2.6 23 26 A I H X>S+ 0 0 0 -4,-1.7 4,-2.6 2,-0.2 5,-0.7 0.890 109.4 51.8 -65.0 -42.6 49.9 61.0 -4.6 24 27 A V H X5S+ 0 0 51 -4,-2.4 4,-1.7 1,-0.2 -2,-0.2 0.949 110.9 49.9 -56.6 -45.4 50.9 64.3 -3.0 25 28 A R H <5S+ 0 0 149 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.849 121.6 30.0 -63.1 -39.0 50.2 62.6 0.4 26 29 A D H <5S+ 0 0 71 -4,-1.9 -1,-0.2 -5,-0.1 -2,-0.2 0.692 132.4 27.4 -99.8 -20.4 52.4 59.5 -0.2 27 30 A F H <5S- 0 0 37 -4,-2.6 -3,-0.2 -5,-0.2 -2,-0.2 0.555 93.0-125.6-120.4 -17.2 55.1 60.7 -2.6 28 31 A G << + 0 0 43 -4,-1.7 54,-0.3 -5,-0.7 -4,-0.2 0.736 54.2 147.5 76.1 23.0 55.5 64.4 -1.8 29 32 A W - 0 0 11 -6,-0.5 2,-0.4 52,-0.1 54,-0.2 -0.371 52.0-109.9 -76.7 163.5 55.0 65.8 -5.4 30 33 A V E -c 83 0A 29 52,-2.7 54,-2.6 48,-0.1 2,-0.7 -0.870 27.1-137.5 -94.2 134.0 53.3 69.2 -5.8 31 34 A H E -c 84 0A 58 -2,-0.4 2,-0.6 52,-0.2 54,-0.2 -0.844 20.3-177.1 -99.5 115.2 49.8 69.1 -7.3 32 35 A L E -c 85 0A 11 52,-2.9 54,-3.0 -2,-0.7 2,-0.7 -0.939 5.9-167.5-111.0 107.5 49.1 71.7 -10.0 33 36 A S E > -c 86 0A 15 -2,-0.6 4,-2.7 52,-0.2 5,-0.2 -0.891 9.2-156.8 -92.5 116.1 45.5 71.7 -11.3 34 37 A A H > S+ 0 0 4 52,-2.7 4,-2.1 -2,-0.7 -1,-0.2 0.893 93.1 51.4 -61.6 -38.2 45.3 73.8 -14.4 35 38 A G H > S+ 0 0 15 51,-0.5 4,-2.1 2,-0.2 -1,-0.2 0.923 111.8 46.6 -64.4 -44.0 41.6 74.4 -14.0 36 39 A D H > S+ 0 0 62 2,-0.2 4,-2.9 1,-0.2 -2,-0.2 0.912 109.8 52.8 -67.2 -39.2 42.0 75.5 -10.4 37 40 A L H X S+ 0 0 31 -4,-2.7 4,-2.2 2,-0.2 -1,-0.2 0.902 109.1 50.9 -61.6 -39.0 45.0 77.8 -11.2 38 41 A L H X S+ 0 0 16 -4,-2.1 4,-1.5 2,-0.2 -2,-0.2 0.898 110.8 47.7 -67.9 -43.2 42.8 79.5 -13.9 39 42 A R H X S+ 0 0 31 -4,-2.1 4,-2.6 2,-0.2 5,-0.2 0.935 110.8 52.2 -52.6 -51.9 39.9 80.0 -11.4 40 43 A Q H X S+ 0 0 100 -4,-2.9 4,-1.5 1,-0.2 -2,-0.2 0.907 106.6 53.7 -56.6 -35.9 42.4 81.4 -8.9 41 44 A E H <>S+ 0 0 41 -4,-2.2 5,-1.2 1,-0.2 -1,-0.2 0.890 110.4 47.1 -69.4 -32.0 43.7 83.8 -11.5 42 45 A Q H ><5S+ 0 0 58 -4,-1.5 3,-1.7 1,-0.2 -2,-0.2 0.929 109.7 50.9 -74.8 -45.5 40.1 85.0 -12.1 43 46 A Q H 3<5S+ 0 0 143 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.728 102.0 65.2 -65.5 -25.1 39.3 85.4 -8.3 44 47 A S T 3<5S- 0 0 95 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.103 114.2-118.0 -85.1 13.5 42.6 87.5 -8.1 45 48 A G T < 5 + 0 0 66 -3,-1.7 -3,-0.2 1,-0.1 -2,-0.1 0.683 52.3 161.6 62.3 36.2 41.0 90.1 -10.4 46 49 A S > < - 0 0 36 -5,-1.2 3,-1.0 1,-0.1 4,-0.3 -0.153 55.0-103.5 -72.6 172.3 43.2 90.2 -13.5 47 50 A K T 3 S+ 0 0 190 1,-0.2 3,-0.5 2,-0.1 4,-0.3 0.810 121.8 55.9 -64.3 -32.4 42.3 91.6 -16.9 48 51 A D T 3> S+ 0 0 42 1,-0.2 4,-2.8 2,-0.1 -1,-0.2 0.510 81.0 97.8 -78.6 -3.0 41.8 88.1 -18.2 49 52 A G H <> S+ 0 0 7 -3,-1.0 4,-2.6 1,-0.2 -1,-0.2 0.820 81.1 45.6 -60.6 -45.7 39.2 87.3 -15.5 50 53 A E H > S+ 0 0 165 -3,-0.5 4,-1.8 -4,-0.3 -1,-0.2 0.883 115.1 51.7 -65.9 -32.1 36.0 87.9 -17.4 51 54 A M H > S+ 0 0 65 -4,-0.3 4,-2.4 2,-0.2 -2,-0.2 0.971 111.7 44.4 -64.9 -53.5 37.6 85.9 -20.3 52 55 A I H X S+ 0 0 0 -4,-2.8 4,-2.7 1,-0.2 5,-0.2 0.918 110.9 55.0 -61.2 -42.9 38.5 82.9 -18.1 53 56 A A H X S+ 0 0 24 -4,-2.6 4,-2.1 -5,-0.2 -1,-0.2 0.895 110.2 45.6 -56.6 -44.2 35.1 83.0 -16.3 54 57 A T H X S+ 0 0 60 -4,-1.8 4,-1.9 1,-0.2 -2,-0.2 0.960 113.0 48.7 -72.5 -42.9 33.2 82.7 -19.6 55 58 A M H X>S+ 0 0 31 -4,-2.4 5,-2.6 2,-0.2 4,-0.5 0.881 110.3 51.4 -65.0 -36.9 35.4 80.0 -21.0 56 59 A I H ><5S+ 0 0 19 -4,-2.7 3,-1.2 1,-0.2 -1,-0.2 0.956 109.2 50.2 -65.4 -43.4 35.2 77.9 -17.9 57 60 A K H 3<5S+ 0 0 104 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.842 117.3 41.3 -62.0 -35.4 31.4 78.1 -17.9 58 61 A N H 3<5S- 0 0 53 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.386 110.8-120.4 -97.9 5.0 31.3 77.0 -21.5 59 62 A G T <<5 + 0 0 11 -3,-1.2 2,-0.2 -4,-0.5 -3,-0.2 0.774 61.1 149.5 63.5 27.8 34.0 74.4 -21.1 60 63 A E < - 0 0 98 -5,-2.6 2,-0.7 -6,-0.2 -1,-0.2 -0.609 52.3-108.0 -88.1 153.3 36.3 76.1 -23.7 61 64 A I - 0 0 33 -2,-0.2 3,-0.1 29,-0.0 -1,-0.0 -0.715 32.3-129.1 -86.5 117.3 40.1 75.9 -23.5 62 65 A V - 0 0 4 -2,-0.7 5,-0.1 1,-0.1 -1,-0.0 -0.281 40.8 -83.0 -54.5 140.9 41.7 79.2 -22.5 63 66 A P >> - 0 0 49 0, 0.0 3,-1.4 0, 0.0 4,-1.0 -0.243 41.6-124.3 -46.7 133.9 44.5 80.5 -24.8 64 67 A S H 3> S+ 0 0 2 1,-0.3 4,-2.7 2,-0.2 5,-0.4 0.668 102.9 72.5 -63.9 -25.0 47.7 78.7 -23.8 65 68 A I H 3> S+ 0 0 137 2,-0.2 4,-1.0 3,-0.2 -1,-0.3 0.914 103.2 44.0 -62.1 -31.4 49.7 81.9 -23.1 66 69 A V H <> S+ 0 0 8 -3,-1.4 4,-1.4 2,-0.2 3,-0.3 0.999 118.2 41.1 -72.1 -53.9 47.6 82.3 -20.0 67 70 A T H X S+ 0 0 6 -4,-1.0 4,-2.3 1,-0.2 3,-0.4 0.856 112.3 51.3 -63.8 -50.4 47.7 78.7 -18.7 68 71 A V H X S+ 0 0 4 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.879 108.5 55.9 -61.2 -30.2 51.3 77.9 -19.4 69 72 A K H X S+ 0 0 90 -4,-1.0 4,-2.3 -5,-0.4 -1,-0.2 0.867 107.6 46.4 -66.4 -40.7 52.3 81.1 -17.6 70 73 A L H X S+ 0 0 17 -4,-1.4 4,-2.0 -3,-0.4 -2,-0.2 0.911 113.2 48.9 -71.8 -40.1 50.4 80.1 -14.4 71 74 A L H X S+ 0 0 0 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.886 113.1 48.9 -63.4 -37.3 51.9 76.6 -14.5 72 75 A K H X S+ 0 0 60 -4,-2.1 4,-3.0 -5,-0.2 5,-0.2 0.903 106.6 54.3 -73.1 -41.4 55.4 78.1 -15.0 73 76 A N H X S+ 0 0 94 -4,-2.3 4,-1.7 1,-0.2 -2,-0.2 0.974 113.2 43.3 -52.7 -51.3 55.1 80.6 -12.2 74 77 A A H X S+ 0 0 23 -4,-2.0 4,-0.6 1,-0.2 -1,-0.2 0.850 113.2 52.0 -67.6 -31.8 54.2 77.8 -9.7 75 78 A I H >< S+ 0 0 6 -4,-1.8 3,-1.2 1,-0.2 -1,-0.2 0.950 109.1 49.4 -72.2 -37.5 56.9 75.5 -11.1 76 79 A D H 3< S+ 0 0 54 -4,-3.0 3,-0.5 1,-0.3 -2,-0.2 0.807 106.4 57.3 -73.3 -22.9 59.6 78.2 -10.7 77 80 A A H 3< S+ 0 0 80 -4,-1.7 -1,-0.3 -5,-0.2 2,-0.2 0.665 104.4 54.6 -80.6 -12.0 58.6 78.9 -7.2 78 81 A N S X< S+ 0 0 59 -3,-1.2 3,-1.1 -4,-0.6 -1,-0.2 -0.473 72.3 178.9-123.7 62.2 59.1 75.2 -6.2 79 82 A Q T 3 + 0 0 142 -3,-0.5 3,-0.1 1,-0.2 -77,-0.1 -0.379 69.7 28.1 -62.6 132.3 62.7 74.3 -7.1 80 83 A G T 3 S+ 0 0 76 1,-0.4 2,-0.3 -79,-0.3 -1,-0.2 0.650 98.8 109.9 91.7 13.9 63.6 70.8 -6.2 81 84 A K < - 0 0 93 -3,-1.1 -1,-0.4 -6,-0.2 2,-0.3 -0.810 62.3-130.1-113.5 158.9 60.1 69.4 -6.5 82 85 A N - 0 0 46 -54,-0.3 -52,-2.7 -2,-0.3 2,-0.4 -0.879 29.0-136.4-104.5 152.2 58.4 67.0 -8.9 83 86 A F E -bc 5 30A 1 -79,-2.7 -77,-1.9 -2,-0.3 2,-0.6 -0.849 18.9-160.4-124.1 132.4 55.0 68.0 -10.4 84 87 A L E -bc 6 31A 0 -54,-2.6 -52,-2.9 -2,-0.4 2,-0.6 -0.972 20.9-163.5 -93.4 112.4 51.7 66.4 -11.1 85 88 A V E -bc 7 32A 0 -79,-2.7 -77,-2.8 -2,-0.6 2,-0.5 -0.916 10.0-160.4-107.9 116.2 50.0 68.7 -13.7 86 89 A D E +bc 8 33A 8 -54,-3.0 -52,-2.7 -2,-0.6 -51,-0.5 -0.854 63.3 9.2-109.1 125.7 46.4 67.9 -13.9 87 90 A G S S+ 0 0 4 -79,-2.7 -1,-0.2 -2,-0.5 3,-0.2 0.805 97.3 140.9 80.3 29.2 44.0 68.8 -16.7 88 91 A F + 0 0 0 -3,-0.5 -80,-0.4 -80,-0.4 -1,-0.2 -0.943 44.4 32.9-157.3 138.7 46.8 69.8 -19.1 89 92 A P + 0 0 0 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.497 64.1 164.7 -77.6 141.0 47.5 69.6 -22.0 90 93 A R + 0 0 58 -3,-0.2 2,-0.3 1,-0.1 66,-0.2 0.666 65.6 6.8 -99.2 -10.6 43.8 69.7 -23.1 91 94 A N S > S- 0 0 18 64,-0.1 4,-1.8 62,-0.1 5,-0.1 -0.902 87.2 -86.9-155.6 176.2 44.5 70.4 -26.8 92 95 A E H > S+ 0 0 143 -2,-0.3 4,-2.8 1,-0.2 5,-0.2 0.897 122.9 55.3 -57.9 -41.8 47.3 70.7 -29.4 93 96 A E H > S+ 0 0 97 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.946 105.8 51.2 -57.6 -53.3 47.9 74.4 -28.6 94 97 A N H > S+ 0 0 5 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.915 113.9 46.7 -42.1 -51.5 48.4 73.6 -24.9 95 98 A N H X S+ 0 0 6 -4,-1.8 4,-2.4 2,-0.2 3,-0.2 0.924 110.5 48.9 -66.0 -44.3 50.9 70.9 -25.9 96 99 A N H X S+ 0 0 70 -4,-2.8 4,-1.4 1,-0.2 -1,-0.2 0.900 112.1 50.8 -64.2 -35.2 52.9 73.0 -28.4 97 100 A S H X S+ 0 0 24 -4,-2.5 4,-1.3 -5,-0.2 -1,-0.2 0.784 107.7 53.1 -75.7 -26.5 53.2 75.8 -25.8 98 101 A W H X>S+ 0 0 2 -4,-1.5 4,-3.4 -5,-0.2 5,-0.6 0.965 111.6 44.5 -68.6 -52.8 54.4 73.4 -23.2 99 102 A E H <5S+ 0 0 86 -4,-2.4 4,-0.3 1,-0.2 -2,-0.2 0.709 113.6 52.1 -68.3 -17.6 57.2 72.2 -25.4 100 103 A E H <5S+ 0 0 155 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.778 124.5 24.9 -80.6 -32.2 58.0 75.8 -26.5 101 104 A N H <5S+ 0 0 77 -4,-1.3 -2,-0.2 -3,-0.5 -3,-0.2 0.747 132.0 29.4-103.5 -26.0 58.4 77.1 -22.9 102 105 A M T >X5S+ 0 0 0 -4,-3.4 4,-2.0 -5,-0.2 3,-2.0 0.542 78.9 106.9-118.0 -15.5 59.2 74.0 -20.7 103 106 A K T 34 - 0 0 50 0, 0.0 4,-2.3 0, 0.0 3,-0.5 -0.446 28.5-125.4 -68.4 147.3 32.4 56.2 -18.7 118 121 A E H > S+ 0 0 76 1,-0.2 4,-2.5 2,-0.2 5,-0.1 0.860 108.8 54.2 -57.1 -40.4 30.6 59.4 -19.5 119 122 A E H > S+ 0 0 136 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.833 109.7 47.8 -68.5 -33.1 27.4 58.4 -17.5 120 123 A V H > S+ 0 0 38 -3,-0.5 4,-2.2 2,-0.2 -2,-0.2 0.927 111.6 50.0 -72.5 -41.9 29.5 57.7 -14.4 121 124 A M H X S+ 0 0 7 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.869 107.6 54.9 -61.6 -37.6 31.3 61.0 -14.7 122 125 A T H X S+ 0 0 14 -4,-2.5 4,-2.2 2,-0.2 5,-0.2 0.935 108.3 48.1 -61.4 -45.4 28.0 62.9 -15.1 123 126 A Q H X S+ 0 0 126 -4,-1.5 4,-1.9 1,-0.2 -2,-0.2 0.935 109.9 51.7 -64.6 -43.0 26.7 61.4 -11.9 124 127 A R H X S+ 0 0 83 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.875 112.1 46.3 -57.5 -44.1 29.9 62.2 -9.9 125 128 A L H X S+ 0 0 1 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.870 107.6 54.1 -74.2 -36.0 29.8 65.9 -11.0 126 129 A L H X S+ 0 0 62 -4,-2.2 4,-0.6 2,-0.2 -1,-0.2 0.857 111.2 49.3 -66.8 -29.5 26.1 66.4 -10.3 127 130 A K H >X S+ 0 0 165 -4,-1.9 3,-0.9 -5,-0.2 4,-0.5 0.933 111.0 46.6 -71.9 -44.5 26.9 65.2 -6.8 128 131 A R H >X S+ 0 0 99 -4,-2.2 4,-2.5 1,-0.2 3,-0.8 0.811 103.3 70.6 -62.0 -26.1 29.9 67.5 -6.5 129 132 A G H 3X S+ 0 0 28 -4,-2.1 4,-0.6 1,-0.2 -1,-0.2 0.774 85.7 62.0 -63.8 -33.4 27.6 70.2 -7.8 130 133 A E H << S+ 0 0 168 -3,-0.9 -1,-0.2 -4,-0.6 -2,-0.2 0.865 124.3 16.2 -58.1 -35.7 25.4 70.4 -4.7 131 134 A S H << S+ 0 0 109 -3,-0.8 -2,-0.2 -4,-0.5 -1,-0.2 0.544 108.4 76.4-120.1 -10.1 28.3 71.6 -2.6 132 135 A S H < S- 0 0 39 -4,-2.5 -3,-0.1 -5,-0.1 3,-0.1 0.755 71.1-150.7 -74.8 -33.9 31.2 72.8 -4.9 133 136 A G < + 0 0 81 -4,-0.6 2,-0.4 1,-0.2 -4,-0.1 0.865 42.3 152.5 56.1 36.6 29.8 76.1 -5.9 134 137 A R > - 0 0 55 -6,-0.1 3,-1.1 -5,-0.1 -1,-0.2 -0.790 51.2-133.8 -93.5 143.1 31.7 75.8 -9.2 135 138 A S T 3 S+ 0 0 53 -2,-0.4 3,-0.2 1,-0.2 6,-0.1 0.557 102.3 48.6 -70.4 -11.3 30.3 77.5 -12.3 136 139 A D T 3 S+ 0 0 9 1,-0.1 -1,-0.2 5,-0.1 9,-0.1 0.240 80.1 94.3-118.4 18.9 30.7 74.4 -14.5 137 140 A D < + 0 0 10 -3,-1.1 2,-0.2 -8,-0.1 -8,-0.1 0.016 63.9 96.7-100.8 29.5 29.1 71.7 -12.4 138 141 A N S > S- 0 0 60 -3,-0.2 4,-2.5 1,-0.1 5,-0.2 -0.718 87.5-105.5-110.6 168.3 25.7 71.9 -14.0 139 142 A I H > S+ 0 0 90 -2,-0.2 4,-2.0 2,-0.2 5,-0.2 0.863 117.6 55.2 -65.8 -36.2 24.4 69.6 -16.8 140 143 A E H > S+ 0 0 128 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.984 115.0 39.5 -59.0 -49.4 24.6 72.3 -19.5 141 144 A S H > S+ 0 0 6 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.873 110.4 58.3 -70.2 -38.3 28.4 72.8 -18.7 142 145 A I H X S+ 0 0 0 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.907 105.9 49.6 -63.6 -37.9 29.2 69.2 -18.1 143 146 A K H X S+ 0 0 114 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.889 109.9 51.1 -69.4 -34.2 28.0 68.3 -21.6 144 147 A K H X S+ 0 0 81 -4,-1.5 4,-1.6 1,-0.2 -1,-0.2 0.825 109.1 51.5 -68.8 -33.0 30.1 71.1 -23.1 145 148 A R H X S+ 0 0 31 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.869 108.1 52.8 -70.9 -36.5 33.1 69.8 -21.2 146 149 A F H X S+ 0 0 5 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.932 108.5 48.7 -62.5 -49.2 32.5 66.3 -22.6 147 150 A N H X S+ 0 0 103 -4,-2.0 4,-2.7 2,-0.2 5,-0.3 0.880 111.6 49.1 -60.4 -45.1 32.5 67.5 -26.2 148 151 A T H X>S+ 0 0 21 -4,-1.6 4,-2.2 2,-0.2 5,-1.2 0.879 111.5 49.8 -61.0 -41.1 35.7 69.5 -25.8 149 152 A F H <>S+ 0 0 15 -4,-2.0 5,-1.9 3,-0.2 -2,-0.2 0.951 114.4 46.3 -57.8 -44.7 37.3 66.5 -24.2 150 153 A N H <5S+ 0 0 51 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.883 120.2 35.3 -70.9 -38.0 36.1 64.4 -27.1 151 154 A V H <5S+ 0 0 86 -4,-2.7 -1,-0.2 -5,-0.1 -3,-0.2 0.874 133.6 16.9 -88.1 -35.9 37.1 66.7 -30.0 152 155 A Q T X5S+ 0 0 70 -4,-2.2 4,-0.7 -5,-0.3 3,-0.5 0.900 122.5 44.6-105.9 -51.3 40.3 68.2 -28.6 153 156 A T H >> S+ 0 0 113 -3,-0.5 4,-1.6 1,-0.2 -1,-0.3 0.821 105.8 51.4 -68.0 -34.3 43.8 63.7 -30.0 156 159 A V H <>S+ 0 0 12 -4,-1.8 5,-2.5 -3,-0.2 3,-0.6 0.739 107.9 62.3 -75.7 -19.8 51.4 60.5 -26.5 161 164 A N H ><5S+ 0 0 83 -4,-1.5 3,-2.3 1,-0.2 5,-0.2 0.911 94.0 60.5 -78.8 -29.6 50.2 56.9 -26.9 162 165 A K T 3<5S+ 0 0 165 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.666 104.5 51.2 -77.2 -1.4 52.1 56.4 -30.2 163 166 A F T < 5S- 0 0 128 -3,-0.6 -1,-0.3 -4,-0.3 -2,-0.2 0.127 119.0-113.0-108.8 18.3 55.3 57.2 -28.2 164 167 A D T < 5S+ 0 0 133 -3,-2.3 -3,-0.2 1,-0.1 -2,-0.1 0.683 82.6 127.0 52.5 30.7 54.3 54.5 -25.6 165 168 A K < + 0 0 77 -5,-2.5 -54,-2.9 -6,-0.1 2,-0.5 0.339 38.7 90.5-104.2 12.9 53.9 57.4 -23.1 166 169 A V E -d 111 0A 15 -6,-0.3 2,-0.5 -56,-0.2 -54,-0.2 -0.898 50.5-167.3-110.4 129.0 50.4 56.8 -21.8 167 170 A K E -d 112 0A 74 -56,-2.9 -54,-3.1 -2,-0.5 2,-0.4 -0.968 15.5-153.3-110.2 126.0 49.5 54.8 -18.7 168 171 A I E -d 113 0A 95 -2,-0.5 -54,-0.2 -56,-0.2 -56,-0.0 -0.850 13.5-176.7-107.1 127.3 45.8 54.0 -18.5 169 172 A I E -d 114 0A 13 -56,-2.8 -54,-1.9 -2,-0.4 2,-0.4 -0.998 28.6-126.6-117.5 126.3 44.1 53.3 -15.1 170 173 A P E -d 115 0A 71 0, 0.0 -54,-0.2 0, 0.0 -56,-0.1 -0.603 24.5-172.4 -75.0 129.4 40.4 52.4 -15.2 171 174 A A + 0 0 2 -56,-2.9 2,-1.1 -2,-0.4 -55,-0.2 0.252 55.9 99.6-111.3 7.9 38.7 54.8 -12.9 172 175 A N S S+ 0 0 91 -57,-0.4 2,-0.3 6,-0.0 -1,-0.1 -0.457 74.2 81.3 -91.0 50.9 35.1 53.3 -12.7 173 176 A R S S- 0 0 68 -2,-1.1 5,-0.1 -3,-0.0 0, 0.0 -0.920 95.0 -56.8-143.6 174.3 35.9 51.7 -9.4 174 177 A D >> - 0 0 86 -2,-0.3 4,-2.2 1,-0.1 3,-0.8 -0.254 53.6-114.7 -56.2 143.2 36.1 52.5 -5.7 175 178 A V H 3> S+ 0 0 69 1,-0.3 4,-2.1 2,-0.2 -1,-0.1 0.797 115.4 48.7 -52.1 -37.4 38.5 55.3 -4.9 176 179 A N H 3> S+ 0 0 109 2,-0.2 4,-2.1 1,-0.2 -1,-0.3 0.800 108.4 54.1 -76.1 -31.0 40.9 53.0 -2.9 177 180 A E H <> S+ 0 0 95 -3,-0.8 4,-1.1 2,-0.2 -2,-0.2 0.894 110.2 46.9 -67.3 -40.1 41.0 50.5 -5.7 178 181 A V H X S+ 0 0 4 -4,-2.2 4,-1.8 1,-0.2 3,-0.4 0.928 112.4 49.8 -67.1 -42.4 42.0 53.1 -8.2 179 182 A Y H X S+ 0 0 14 -4,-2.1 4,-3.2 1,-0.2 5,-0.3 0.857 100.4 64.5 -64.5 -36.7 44.6 54.4 -5.8 180 183 A N H X S+ 0 0 89 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.918 108.4 41.2 -49.4 -47.2 46.1 50.9 -5.2 181 184 A D H X S+ 0 0 56 -4,-1.1 4,-2.1 -3,-0.4 -1,-0.2 0.846 113.6 52.5 -71.6 -40.2 47.0 50.8 -8.9 182 185 A V H X S+ 0 0 0 -4,-1.8 4,-2.3 2,-0.2 5,-0.2 0.969 111.8 46.1 -59.0 -47.5 48.2 54.4 -9.0 183 186 A E H X S+ 0 0 46 -4,-3.2 4,-2.4 1,-0.2 5,-0.2 0.902 111.5 51.9 -61.7 -46.0 50.5 53.8 -6.0 184 187 A N H X S+ 0 0 98 -4,-2.1 4,-2.5 -5,-0.3 -1,-0.2 0.907 110.7 49.5 -57.3 -39.2 51.8 50.5 -7.5 185 188 A L H X S+ 0 0 25 -4,-2.1 4,-1.7 2,-0.2 -2,-0.2 0.904 110.8 47.2 -69.2 -43.8 52.6 52.4 -10.7 186 189 A F H <>S+ 0 0 0 -4,-2.3 5,-2.4 2,-0.2 -1,-0.2 0.875 113.1 49.5 -69.5 -35.8 54.5 55.2 -9.1 187 190 A K H ><5S+ 0 0 114 -4,-2.4 3,-1.8 4,-0.2 -2,-0.2 0.950 110.2 50.9 -63.7 -44.1 56.5 52.8 -6.9 188 191 A S H 3<5S+ 0 0 85 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.816 104.9 57.2 -67.1 -26.6 57.3 50.7 -10.0 189 192 A M T 3<5S- 0 0 83 -4,-1.7 -1,-0.3 -5,-0.1 -2,-0.2 0.471 122.5-106.7 -82.0 -3.4 58.5 53.9 -11.8 190 193 A G T < 5 0 0 65 -3,-1.8 -3,-0.2 -4,-0.2 -2,-0.1 0.704 360.0 360.0 91.9 23.6 61.0 54.5 -9.0 191 194 A F < 0 0 75 -5,-2.4 -4,-0.2 0, 0.0 -3,-0.1 0.559 360.0 360.0-103.3 360.0 59.3 57.4 -7.3