==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PHOSPHOTRANSFERASE 21-MAY-96 1ZYM . COMPND 2 MOLECULE: ENZYME I; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR D.-I.LIAO,D.R.DAVIES . 495 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25215.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 382 77.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 25 5.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 26 5.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 41 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 56 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 206 41.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 2.4 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 2 0 1 1 1 2 0 0 1 1 2 1 1 0 0 0 0 0 2 0 0 0 0 0 1 0 1 RESIDUES PER ALPHA HELIX . 0 2 3 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 PARALLEL BRIDGES PER LADDER . 3 0 1 2 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 ANTIPARALLEL BRIDGES PER LADDER . 0 1 0 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 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 S 0 0 115 0, 0.0 202,-0.1 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0-134.3 1.5 12.3 108.4 2 4 A G - 0 0 17 200,-0.2 198,-0.1 1,-0.1 176,-0.0 -0.224 360.0-134.9 119.8 156.8 0.4 8.8 107.2 3 5 A I - 0 0 53 -2,-0.1 197,-0.1 196,-0.1 -1,-0.1 0.465 51.4-122.8-120.9 -20.3 -2.3 6.2 106.7 4 6 A L + 0 0 13 2,-0.1 196,-0.2 467,-0.1 468,-0.0 0.998 40.8 169.4 71.0 77.5 -0.3 3.2 107.9 5 7 A A S S+ 0 0 1 194,-2.1 195,-0.2 1,-0.3 188,-0.1 0.841 70.9 17.1 -82.2 -38.3 -0.2 0.6 105.2 6 8 A S B S-A 199 0A 1 193,-2.0 193,-2.3 186,-0.1 -1,-0.3 -0.987 74.0-125.2-146.6 132.7 2.5 -1.6 106.9 7 9 A P + 0 0 84 0, 0.0 2,-0.2 0, 0.0 214,-0.2 -0.344 59.0 79.4 -71.0 152.1 3.9 -1.9 110.4 8 10 A G - 0 0 21 212,-0.9 2,-0.3 211,-0.4 191,-0.1 -0.721 61.3-111.5 136.1 172.6 7.6 -1.6 111.3 9 11 A I - 0 0 29 -2,-0.2 2,-0.3 233,-0.1 210,-0.2 -0.929 26.7-162.4-133.1 156.8 10.3 0.9 111.8 10 12 A A E -B 218 0A 6 208,-1.2 208,-0.8 -2,-0.3 2,-0.5 -0.997 12.4-157.2-147.6 149.3 13.3 1.7 109.6 11 13 A F E +B 217 0A 59 -2,-0.3 2,-0.3 206,-0.2 206,-0.2 -0.978 48.2 82.4-128.2 117.2 16.7 3.4 109.9 12 14 A G E S-B 216 0A 7 204,-1.5 204,-3.1 -2,-0.5 2,-0.1 -0.984 72.7 -59.7 171.0 178.6 18.4 4.6 106.7 13 15 A K E -Bc 215 154A 91 140,-0.6 142,-2.7 -2,-0.3 2,-0.4 -0.470 50.9-116.0 -82.2 156.4 18.9 7.2 104.1 14 16 A A E - c 0 155A 0 200,-2.0 199,-2.7 197,-0.2 2,-0.7 -0.786 14.9-153.7 -97.5 133.5 16.1 8.2 101.8 15 17 A L E - c 0 156A 44 140,-1.1 142,-2.9 -2,-0.4 2,-0.7 -0.954 16.2-153.2-107.7 111.3 16.2 7.6 98.1 16 18 A L E - c 0 157A 12 -2,-0.7 142,-0.2 140,-0.2 2,-0.2 -0.792 11.2-133.6 -91.8 108.4 14.0 10.2 96.5 17 19 A L - 0 0 30 140,-2.5 2,-0.6 -2,-0.7 142,-0.1 -0.394 19.1-164.3 -61.3 125.4 12.5 9.1 93.2 18 20 A K - 0 0 150 -2,-0.2 2,-0.7 140,-0.1 -1,-0.0 -0.966 1.6-165.2-116.4 116.0 12.9 11.8 90.5 19 21 A E - 0 0 85 -2,-0.6 3,-0.1 125,-0.0 125,-0.1 -0.896 26.8-122.3-104.9 107.0 10.7 11.3 87.4 20 22 A D - 0 0 81 -2,-0.7 122,-0.1 123,-0.3 -2,-0.0 -0.196 34.3-117.4 -44.4 116.7 11.8 13.5 84.5 21 23 A E - 0 0 162 1,-0.1 2,-0.6 2,-0.0 -1,-0.1 -0.197 28.1-118.6 -58.5 156.3 8.7 15.5 83.7 22 24 A I - 0 0 38 -3,-0.1 2,-0.8 120,-0.0 -1,-0.1 -0.885 21.8-167.7-110.4 112.8 7.4 14.9 80.2 23 25 A V - 0 0 108 -2,-0.6 2,-0.4 117,-0.0 76,-0.1 -0.874 14.4-157.6 -94.3 107.0 7.2 17.8 77.6 24 26 A I - 0 0 42 -2,-0.8 2,-0.5 76,-0.1 76,-0.1 -0.726 17.5-126.9 -84.2 140.5 5.0 16.4 74.7 25 27 A D - 0 0 51 -2,-0.4 72,-0.3 1,-0.1 75,-0.1 -0.787 27.3-179.9 -92.1 123.3 5.7 18.3 71.5 26 28 A R + 0 0 178 -2,-0.5 -1,-0.1 70,-0.1 71,-0.1 0.774 41.2 118.2 -91.2 -28.6 2.5 19.7 69.9 27 29 A K - 0 0 158 1,-0.1 70,-0.5 69,-0.1 2,-0.2 -0.068 69.1-122.0 -41.2 126.8 4.1 21.4 66.9 28 30 A K - 0 0 125 68,-0.1 68,-0.2 1,-0.1 67,-0.1 -0.561 32.2-131.7 -76.2 136.9 2.8 19.9 63.6 29 31 A I - 0 0 15 66,-3.7 2,-0.3 -2,-0.2 -1,-0.1 -0.242 15.7-103.8 -82.5 177.3 5.8 18.5 61.6 30 32 A S > - 0 0 51 1,-0.1 4,-1.3 -2,-0.1 3,-0.3 -0.729 29.1-112.4-100.8 158.0 6.6 19.0 58.0 31 33 A A T 4 S+ 0 0 66 -2,-0.3 4,-0.4 1,-0.2 -1,-0.1 0.751 118.7 63.1 -56.7 -28.6 6.1 16.3 55.4 32 34 A D T >4 S+ 0 0 142 1,-0.2 3,-0.8 2,-0.1 4,-0.3 0.985 105.9 44.4 -58.4 -55.8 9.9 16.1 55.1 33 35 A Q T >> S+ 0 0 89 -3,-0.3 4,-1.5 1,-0.2 3,-0.9 0.703 83.7 96.8 -60.2 -34.8 10.0 15.0 58.8 34 36 A V H 3X S+ 0 0 19 -4,-1.3 4,-1.4 1,-0.3 -1,-0.2 0.734 86.4 47.4 -28.9 -45.5 7.2 12.4 58.6 35 37 A D H <> S+ 0 0 124 -3,-0.8 4,-1.6 -4,-0.4 -1,-0.3 0.938 106.7 55.3 -68.5 -47.3 9.6 9.5 58.1 36 38 A Q H X> S+ 0 0 121 -3,-0.9 4,-1.9 -4,-0.3 3,-0.5 0.926 109.4 46.6 -52.1 -51.3 12.0 10.5 60.8 37 39 A E H 3X S+ 0 0 14 -4,-1.5 4,-2.8 2,-0.3 5,-0.3 0.856 105.4 57.9 -63.4 -36.8 9.3 10.5 63.5 38 40 A V H 3X S+ 0 0 28 -4,-1.4 4,-2.0 -5,-0.3 -1,-0.3 0.887 111.5 46.1 -62.1 -27.8 7.8 7.1 62.4 39 41 A E H X S+ 0 0 2 -4,-2.7 4,-2.4 -5,-0.2 3,-0.7 0.923 111.6 49.0 -66.4 -41.7 11.3 4.0 71.1 45 47 A R H 3X S+ 0 0 40 -4,-3.4 4,-2.0 1,-0.2 5,-0.2 0.921 104.9 62.7 -67.3 -29.4 8.7 1.3 71.2 46 48 A A H 3X S+ 0 0 61 -4,-1.4 4,-0.7 -5,-0.3 -1,-0.2 0.790 111.6 35.1 -62.0 -34.9 11.6 -1.1 70.5 47 49 A K H X S+ 0 0 42 -4,-2.3 4,-1.6 2,-0.2 3,-0.8 0.917 112.3 53.1 -69.0 -42.1 13.0 -2.9 79.4 52 54 A L H 3X S+ 0 0 2 -4,-1.7 4,-2.1 -5,-0.3 -2,-0.2 0.891 103.6 58.0 -61.8 -35.0 9.5 -4.3 79.7 53 55 A E H 3X S+ 0 0 75 -4,-2.1 4,-1.1 1,-0.2 -1,-0.3 0.795 106.7 45.2 -69.3 -24.6 10.9 -7.7 78.8 54 56 A T H X S+ 0 0 38 -4,-2.1 4,-2.0 1,-0.2 3,-0.5 0.963 111.8 41.5 -48.1 -55.4 8.6 -9.4 83.2 57 59 A T H 3X S+ 0 0 72 -4,-1.1 4,-2.6 1,-0.3 5,-0.3 0.802 114.1 48.4 -63.9 -38.5 11.4 -11.7 84.3 58 60 A K H 3X S+ 0 0 66 -4,-1.9 4,-0.9 2,-0.2 5,-0.3 0.767 113.8 48.1 -75.8 -20.7 12.5 -9.9 87.4 59 61 A A H X - 0 0 29 -4,-3.6 4,-2.4 -5,-0.3 3,-0.7 -0.121 46.0 -34.8 77.4-174.3 6.3 -15.6 90.4 65 67 A E H 3> S+ 0 0 162 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.763 125.2 65.0 -57.8 -33.8 3.8 -16.3 87.5 66 68 A E H 34 S+ 0 0 178 -3,-0.3 -1,-0.2 1,-0.2 -2,-0.1 0.946 115.3 33.3 -57.7 -43.9 0.9 -14.3 88.9 67 69 A K H X> S+ 0 0 57 -3,-0.7 3,-2.4 -4,-0.5 4,-1.5 0.877 108.9 63.1 -80.2 -38.8 3.1 -11.2 88.4 68 70 A E H 3X S+ 0 0 73 -4,-2.4 4,-1.2 1,-0.3 -1,-0.2 0.832 104.2 53.6 -57.6 -26.0 5.0 -12.3 85.3 69 71 A A H 3X S+ 0 0 64 -4,-1.7 4,-0.8 2,-0.2 -1,-0.3 0.465 94.8 63.9 -88.4 -4.6 1.6 -12.3 83.6 70 72 A I H <4 S+ 0 0 58 -3,-2.4 4,-0.2 2,-0.1 -1,-0.2 0.857 108.1 48.3 -77.4 -38.1 0.7 -8.7 84.6 71 73 A F H >X S+ 0 0 2 -4,-1.5 4,-2.0 1,-0.2 3,-1.9 0.867 98.0 63.2 -68.6 -37.4 3.7 -8.0 82.4 72 74 A E H 3X S+ 0 0 75 -4,-1.2 4,-2.6 1,-0.3 -1,-0.2 0.926 107.1 47.3 -54.4 -44.8 2.9 -10.1 79.4 73 75 A G H 3< S+ 0 0 28 -4,-0.8 4,-0.4 1,-0.2 -1,-0.3 0.482 104.2 60.2 -74.3 -10.1 -0.2 -7.9 78.9 74 76 A H H X> S+ 0 0 5 -3,-1.9 4,-1.8 -4,-0.2 3,-0.6 0.897 111.1 41.2 -76.9 -52.9 1.8 -4.7 79.4 75 77 A I H >X S+ 0 0 7 -4,-2.0 4,-2.5 1,-0.2 3,-0.7 0.980 110.4 57.0 -56.5 -58.2 3.9 -5.7 76.4 76 78 A M H 3< S+ 0 0 116 -4,-2.6 -1,-0.2 1,-0.3 -3,-0.2 0.712 110.0 46.6 -49.1 -24.7 0.9 -6.9 74.4 77 79 A L H X4 S+ 0 0 28 -3,-0.6 3,-1.0 -4,-0.4 -1,-0.3 0.865 110.9 49.3 -86.0 -39.2 -0.6 -3.5 74.7 78 80 A L H << S+ 0 0 10 -4,-1.8 -2,-0.2 -3,-0.7 -3,-0.1 0.823 118.4 40.4 -65.7 -36.7 2.4 -1.5 73.8 79 81 A E T 3< S+ 0 0 73 -4,-2.5 -1,-0.3 -5,-0.2 2,-0.2 0.140 81.0 146.9-101.3 20.2 3.0 -3.5 70.7 80 82 A D <> - 0 0 63 -3,-1.0 4,-1.6 -5,-0.2 3,-0.2 -0.364 49.4-137.7 -60.2 121.0 -0.7 -3.8 69.8 81 83 A E H > S+ 0 0 161 1,-0.2 4,-1.3 -2,-0.2 -1,-0.2 0.786 101.6 47.2 -51.0 -31.0 -0.9 -3.9 65.9 82 84 A E H > S+ 0 0 101 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.872 106.8 53.1 -81.1 -40.9 -3.9 -1.5 65.9 83 85 A L H > S+ 0 0 7 -3,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.766 108.5 53.7 -64.6 -25.2 -2.5 1.0 68.3 84 86 A E H X S+ 0 0 46 -4,-1.6 4,-2.7 2,-0.2 5,-0.3 0.915 106.0 51.9 -72.3 -46.2 0.6 1.2 66.0 85 87 A Q H X S+ 0 0 110 -4,-1.3 4,-2.0 -5,-0.2 -2,-0.2 0.941 112.4 47.5 -54.5 -45.9 -1.7 1.9 63.1 86 88 A E H X S+ 0 0 67 -4,-2.3 4,-1.7 2,-0.2 -2,-0.2 0.897 112.4 45.6 -67.1 -39.1 -3.2 4.7 65.1 87 89 A I H X S+ 0 0 5 -4,-1.9 4,-0.8 1,-0.2 -1,-0.2 0.922 115.6 47.2 -70.3 -42.2 -0.1 6.3 66.3 88 90 A I H X S+ 0 0 25 -4,-2.7 4,-2.8 2,-0.2 -2,-0.2 0.857 107.1 56.3 -68.5 -35.9 1.6 6.2 62.9 89 91 A A H X>S+ 0 0 33 -4,-2.0 4,-3.7 -5,-0.3 5,-0.6 0.961 102.5 54.6 -61.2 -53.0 -1.4 7.5 61.0 90 92 A L H X5S+ 0 0 23 -4,-1.7 6,-2.2 3,-0.2 4,-0.5 0.814 110.6 49.8 -52.5 -27.2 -1.5 10.6 63.1 91 93 A I H X5S+ 0 0 0 -4,-0.8 4,-1.3 4,-0.2 -2,-0.2 0.983 122.3 29.0 -76.7 -61.3 2.1 11.0 62.0 92 94 A K H <5S+ 0 0 132 -4,-2.8 -2,-0.2 1,-0.2 -3,-0.2 0.930 132.3 35.9 -59.8 -53.9 1.4 10.6 58.3 93 95 A D H <5S+ 0 0 133 -4,-3.7 -3,-0.2 -5,-0.2 -1,-0.2 0.887 132.1 21.6 -67.4 -54.0 -2.2 12.0 58.3 94 96 A K H <> - 0 0 1 -70,-0.5 4,-2.6 -72,-0.3 3,-0.6 -0.264 32.8-112.0 -65.2 160.9 5.3 14.3 66.3 98 100 A A H 3> S+ 0 0 0 1,-0.2 4,-2.7 2,-0.2 5,-0.4 0.973 117.5 52.8 -60.9 -50.7 5.8 10.8 67.6 99 101 A D H 34 S+ 0 0 3 1,-0.2 4,-0.5 2,-0.2 -1,-0.2 0.750 115.7 40.9 -58.5 -22.1 5.8 11.9 71.2 100 102 A A H <> S+ 0 0 6 -3,-0.6 4,-1.5 2,-0.1 -1,-0.2 0.822 114.5 50.0 -94.6 -35.8 2.5 13.7 70.7 101 103 A A H X S+ 0 0 0 -4,-2.6 4,-1.7 2,-0.2 -2,-0.2 0.947 110.7 47.8 -65.5 -50.6 0.8 11.2 68.5 102 104 A A H X S+ 0 0 0 -4,-2.7 4,-2.3 1,-0.2 5,-0.3 0.822 109.0 55.2 -64.0 -33.4 1.5 8.1 70.8 103 105 A H H > S+ 0 0 45 -4,-0.5 4,-3.4 -5,-0.4 5,-0.4 0.955 103.2 55.4 -62.9 -47.7 0.3 10.0 73.8 104 106 A E H X S+ 0 0 92 -4,-1.5 4,-2.2 1,-0.2 -2,-0.2 0.922 112.5 43.3 -51.8 -45.9 -3.1 10.8 72.0 105 107 A V H X S+ 0 0 10 -4,-1.7 4,-2.2 2,-0.2 -1,-0.2 0.957 117.6 40.8 -65.4 -58.6 -3.6 7.0 71.5 106 108 A I H X S+ 0 0 9 -4,-2.3 4,-2.9 1,-0.2 5,-0.3 0.949 116.9 51.7 -56.9 -46.3 -2.6 5.6 74.8 107 109 A E H X S+ 0 0 58 -4,-3.4 4,-2.3 -5,-0.3 -1,-0.2 0.900 108.1 51.8 -59.3 -39.1 -4.3 8.5 76.4 108 110 A G H < S+ 0 0 38 -4,-2.2 -1,-0.3 -5,-0.4 -2,-0.2 0.871 113.6 44.8 -66.7 -33.1 -7.4 7.7 74.4 109 111 A Q H >< S+ 0 0 82 -4,-2.2 3,-0.6 -3,-0.2 4,-0.3 0.834 115.4 44.1 -78.7 -35.1 -7.2 4.1 75.6 110 112 A A H >X S+ 0 0 0 -4,-2.9 3,-1.9 1,-0.2 4,-0.7 0.960 112.3 52.9 -75.0 -46.3 -6.6 4.8 79.2 111 113 A S T 3< S+ 0 0 52 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 0.421 102.8 60.2 -67.8 0.2 -9.2 7.5 79.5 112 114 A A T <4 S+ 0 0 47 -3,-0.6 -1,-0.3 2,-0.1 -2,-0.2 0.470 102.0 50.0-105.1 -10.1 -11.8 5.2 78.0 113 115 A L T <4 S+ 0 0 51 -3,-1.9 5,-0.3 -4,-0.3 3,-0.3 0.469 102.6 63.8-100.0 -15.0 -11.6 2.6 80.8 114 116 A E S < S+ 0 0 86 -4,-0.7 -2,-0.1 1,-0.2 -1,-0.1 0.447 77.5 87.2 -85.8 -7.4 -11.9 5.4 83.3 115 117 A E S S+ 0 0 150 6,-0.1 2,-0.2 2,-0.1 -1,-0.2 0.906 83.9 61.3 -60.0 -41.6 -15.4 6.2 82.1 116 118 A L S S- 0 0 96 -3,-0.3 2,-1.0 -4,-0.1 -3,-0.0 -0.547 88.7-130.1 -81.5 149.5 -16.8 3.7 84.4 117 119 A D + 0 0 141 -2,-0.2 2,-0.5 4,-0.0 -3,-0.1 -0.514 59.9 143.2 -96.6 58.3 -16.2 4.2 88.1 118 120 A D > - 0 0 69 -2,-1.0 4,-1.6 -5,-0.3 5,-0.2 -0.894 50.9-142.4 -99.2 131.6 -15.0 0.6 88.3 119 121 A E H > S+ 0 0 157 -2,-0.5 4,-1.5 1,-0.2 3,-0.2 0.955 101.5 43.2 -58.1 -54.3 -12.1 0.1 90.7 120 122 A Y H > S+ 0 0 138 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.805 113.3 51.8 -63.4 -35.7 -10.3 -2.4 88.5 121 123 A L H > S+ 0 0 32 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.769 109.0 50.7 -72.5 -28.4 -11.0 -0.4 85.3 122 124 A K H X S+ 0 0 97 -4,-1.6 4,-0.6 -3,-0.2 -2,-0.2 0.810 108.9 53.1 -77.1 -25.5 -9.5 2.5 87.0 123 125 A E H X S+ 0 0 129 -4,-1.5 4,-1.9 2,-0.2 -2,-0.2 0.891 108.4 49.6 -75.6 -35.1 -6.6 0.3 87.9 124 126 A R H X S+ 0 0 89 -4,-2.0 4,-3.2 1,-0.2 5,-0.3 0.937 106.6 52.7 -68.1 -45.6 -6.2 -0.7 84.2 125 127 A A H X S+ 0 0 0 -4,-2.0 4,-1.1 1,-0.2 -1,-0.2 0.732 108.0 57.3 -59.6 -21.8 -6.2 2.9 83.0 126 128 A A H X S+ 0 0 50 -4,-0.6 4,-1.4 2,-0.2 3,-0.3 0.970 111.3 37.5 -73.4 -54.2 -3.5 3.4 85.5 127 129 A D H X S+ 0 0 18 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.803 110.8 60.3 -68.0 -29.5 -1.3 0.7 84.1 128 130 A V H X S+ 0 0 2 -4,-3.2 4,-1.5 1,-0.2 -1,-0.2 0.884 110.2 44.7 -66.2 -33.4 -2.3 1.7 80.5 129 131 A R H X S+ 0 0 59 -4,-1.1 4,-2.2 -3,-0.3 -2,-0.2 0.776 105.2 60.2 -79.2 -27.6 -0.8 5.0 81.5 130 132 A D H X S+ 0 0 15 -4,-1.4 4,-1.6 2,-0.2 -2,-0.2 0.954 109.0 44.9 -62.9 -43.5 2.3 3.4 83.1 131 133 A I H X S+ 0 0 4 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.872 111.5 52.5 -68.0 -38.6 3.1 1.9 79.7 132 134 A G H X S+ 0 0 4 -4,-1.5 4,-2.2 1,-0.2 -1,-0.2 0.864 106.3 52.6 -67.5 -36.8 2.4 5.1 77.9 133 135 A K H X S+ 0 0 80 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.914 108.0 53.6 -62.2 -42.3 4.8 7.1 80.1 134 136 A R H >X S+ 0 0 15 -4,-1.6 4,-1.9 2,-0.2 3,-0.7 0.980 107.8 47.9 -54.7 -62.2 7.4 4.6 79.4 135 137 A L H 3X S+ 0 0 2 -4,-2.0 4,-3.1 1,-0.3 5,-0.3 0.849 110.4 51.4 -49.4 -46.4 7.2 4.9 75.6 136 138 A L H 3X S+ 0 0 10 -4,-2.2 4,-3.9 2,-0.2 -1,-0.3 0.920 107.2 53.8 -64.7 -37.4 7.2 8.6 75.6 137 139 A R H S+ 0 0 7 -4,-2.1 5,-2.1 -3,-0.7 4,-0.7 0.984 113.2 42.4 -57.0 -55.9 10.4 8.7 77.8 138 140 A N H ><5S+ 0 0 12 -4,-1.9 3,-1.1 2,-0.3 -1,-0.2 0.870 115.2 48.5 -58.0 -41.5 12.2 6.5 75.4 139 141 A I H 3<5S+ 0 0 14 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.980 114.5 48.3 -62.7 -46.1 10.9 8.3 72.3 140 142 A L H 3<5S- 0 0 43 -4,-3.9 -1,-0.3 -5,-0.3 -2,-0.3 0.522 107.6-128.7 -71.0 -4.0 11.9 11.4 74.1 141 143 A G T <<5 + 0 0 63 -3,-1.1 -3,-0.2 -4,-0.7 -4,-0.1 0.753 58.5 151.0 59.7 18.4 15.3 10.0 74.9 142 144 A L < - 0 0 50 -5,-2.1 2,-0.3 -6,-0.3 -1,-0.2 -0.423 53.7 -83.9 -74.2 162.4 14.6 11.1 78.5 143 145 A K - 0 0 150 -2,-0.1 -123,-0.3 -3,-0.1 2,-0.3 -0.526 38.0-134.3 -87.9 138.1 16.2 9.0 81.2 144 146 A I - 0 0 21 -2,-0.3 -1,-0.1 1,-0.1 -125,-0.0 -0.646 4.9-141.1 -89.9 137.5 14.9 5.8 82.5 145 147 A I + 0 0 49 -2,-0.3 -1,-0.1 2,-0.0 4,-0.1 0.969 21.5 176.4 -52.9 -84.9 14.7 4.8 86.1 146 148 A D > - 0 0 64 1,-0.1 3,-0.8 2,-0.1 19,-0.1 0.928 19.0-153.5 61.8 101.5 15.6 1.1 86.6 147 149 A L G > S+ 0 0 12 1,-0.2 3,-1.2 18,-0.2 23,-0.8 0.471 80.4 83.7 -85.0 -1.0 15.5 0.3 90.3 148 150 A S G 3 S+ 0 0 41 1,-0.3 -1,-0.2 21,-0.2 21,-0.1 0.743 70.4 89.2 -73.7 -12.5 17.9 -2.6 90.3 149 151 A A G < + 0 0 80 -3,-0.8 -1,-0.3 -4,-0.1 -2,-0.1 0.520 59.8 141.7 -60.3 -8.2 20.5 0.2 90.5 150 152 A I < + 0 0 22 -3,-1.2 3,-0.1 1,-0.1 24,-0.0 -0.129 22.4 167.2 -50.1 121.1 20.4 0.1 94.3 151 153 A Q + 0 0 143 1,-0.1 2,-0.3 22,-0.0 -1,-0.1 0.706 64.9 40.9-100.9 -34.2 23.7 0.6 96.2 152 154 A D S S- 0 0 47 21,-0.0 2,-0.5 -139,-0.0 -1,-0.1 -0.867 85.4-107.1-122.3 156.4 22.3 1.3 99.7 153 155 A E + 0 0 116 -2,-0.3 -140,-0.6 21,-0.1 2,-0.3 -0.672 60.8 173.3 -73.2 122.4 19.6 -0.1 101.9 154 156 A V E -cd 13 174A 4 19,-2.7 21,-3.2 -2,-0.5 2,-1.1 -0.947 45.7-115.8-139.1 162.2 17.3 2.8 101.6 155 157 A I E -c 14 0A 0 -142,-2.7 -140,-1.1 -2,-0.3 22,-0.2 -0.852 43.2-131.3 -98.0 94.7 13.9 4.0 102.6 156 158 A L E -cd 15 177A 1 20,-1.1 22,-2.1 -2,-1.1 2,-0.5 -0.298 25.8-168.5 -50.9 112.9 12.3 4.4 99.2 157 159 A V E +cd 16 178A 0 -142,-2.9 -140,-2.5 20,-0.2 2,-0.3 -0.949 24.6 132.4-109.8 129.5 10.7 7.9 99.1 158 160 A A - 0 0 1 20,-2.6 22,-0.3 -2,-0.5 23,-0.2 -0.960 63.6-105.9-162.1 175.0 8.3 8.6 96.2 159 161 A A S S- 0 0 53 1,-0.4 21,-1.6 -2,-0.3 22,-1.4 0.906 95.5 -34.0 -76.6 -45.6 4.9 10.0 95.2 160 162 A D - 0 0 77 19,-0.2 -1,-0.4 20,-0.2 2,-0.3 -0.927 61.2-129.2-163.8 168.4 3.5 6.6 94.4 161 163 A L - 0 0 5 -2,-0.3 27,-0.2 -3,-0.1 26,-0.2 -0.982 14.6-160.7-132.7 148.2 4.8 3.3 93.0 162 164 A T >> - 0 0 34 -2,-0.3 4,-2.3 25,-0.1 3,-0.8 -0.772 38.8 -97.1-120.2 168.5 3.5 1.1 90.1 163 165 A P H 3> S+ 0 0 14 0, 0.0 4,-0.8 0, 0.0 5,-0.2 0.798 122.7 57.5 -57.8 -30.8 4.1 -2.6 89.2 164 166 A S H 3> S+ 0 0 8 2,-0.2 4,-0.9 1,-0.1 3,-0.1 0.901 113.5 42.7 -65.6 -36.1 6.8 -1.7 86.7 165 167 A E H <> S+ 0 0 13 -3,-0.8 4,-0.5 1,-0.2 3,-0.3 0.962 112.0 47.8 -71.7 -59.3 8.7 0.1 89.6 166 168 A T H < S+ 0 0 2 -4,-2.3 -1,-0.2 1,-0.2 5,-0.2 0.530 106.4 60.0 -67.1 -8.6 8.3 -2.4 92.5 167 169 A A H < S+ 0 0 6 -4,-0.8 -1,-0.2 -5,-0.2 4,-0.2 0.912 109.4 38.9 -83.4 -49.6 9.4 -5.4 90.4 168 170 A Q H < S+ 0 0 8 -4,-0.9 2,-0.3 -3,-0.3 -2,-0.2 0.434 93.5 116.4 -77.9 -3.1 12.8 -4.1 89.4 169 171 A L S < S- 0 0 7 -4,-0.5 2,-1.9 1,-0.1 -21,-0.2 -0.532 76.4-122.8 -69.6 130.0 13.0 -2.7 93.0 170 172 A N > - 0 0 68 -23,-0.8 3,-1.0 -2,-0.3 4,-0.3 -0.478 28.8-167.5 -76.0 76.9 15.9 -4.5 94.9 171 173 A L G > S+ 0 0 18 -2,-1.9 3,-1.5 1,-0.3 2,-0.7 0.723 78.3 59.7 -35.4 -46.4 13.7 -5.8 97.8 172 174 A K G 3 S+ 0 0 158 1,-0.3 -1,-0.3 -3,-0.1 3,-0.1 0.026 111.6 41.1 -83.5 37.6 16.6 -6.8 100.1 173 175 A K G < S+ 0 0 67 -3,-1.0 -19,-2.7 -2,-0.7 2,-0.5 0.248 91.6 89.7-158.6 0.2 17.9 -3.3 100.2 174 176 A V E < -d 154 0A 3 -3,-1.5 -19,-0.2 -4,-0.3 -1,-0.2 -0.964 55.1-163.9-108.4 126.7 14.7 -1.2 100.5 175 177 A L E - 0 0 33 -21,-3.2 2,-0.2 -2,-0.5 -20,-0.2 -0.074 60.2 -50.8-101.0 31.6 13.7 -0.6 104.1 176 178 A G E - 0 0 0 -22,-0.3 -20,-1.1 21,-0.1 2,-0.4 -0.553 60.2 -91.0 124.3 172.1 10.2 0.5 103.5 177 179 A F E -de 156 199A 0 21,-1.8 23,-1.8 -2,-0.2 2,-0.4 -0.940 21.5-175.1-130.6 142.7 8.2 2.9 101.5 178 180 A I E +de 157 200A 0 -22,-2.1 -20,-2.6 -2,-0.4 2,-0.3 -0.981 24.2 157.1-135.2 117.7 6.9 6.5 102.0 179 181 A T - 0 0 0 21,-1.5 24,-1.2 -2,-0.4 -20,-0.3 -0.857 55.0-122.0-135.6 172.8 4.7 8.0 99.3 180 182 A D S S+ 0 0 38 -21,-1.6 -20,-0.2 -22,-0.3 -21,-0.1 0.517 73.9 136.2 -87.2 -11.1 2.0 10.7 98.7 181 183 A A - 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