==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-DEC-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 27-NOV-09 2WZB . COMPND 2 MOLECULE: PHOSPHOGLYCERATE KINASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.W.BOWLER,M.J.CLIFF,J.P.M.MARSTON,N.J.BAXTER,A.M.H.HOWNSLOW . 405 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17715.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 294 72.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 49 12.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 17 4.2 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 . 1 0.2 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 . 26 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 53 13.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 119 29.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 1.7 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 7 0 0 1 2 1 1 1 0 2 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 3 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 0 PARALLEL BRIDGES PER LADDER . 1 1 0 1 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 . 1 1 0 0 1 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 2 A L > 0 0 39 0, 0.0 3,-1.5 0, 0.0 174,-0.1 0.000 360.0 360.0 360.0 30.4 14.6 -5.7 -20.1 2 3 A S T 3 + 0 0 125 1,-0.3 4,-0.1 3,-0.0 404,-0.0 0.839 360.0 42.6 -59.3 -33.9 17.4 -8.2 -20.9 3 4 A N T 3 S+ 0 0 102 2,-0.1 403,-2.2 402,-0.1 2,-0.3 0.373 107.3 77.3 -93.0 -0.6 19.9 -5.8 -19.4 4 5 A K B < S-A 405 0A 16 -3,-1.5 401,-0.2 401,-0.3 2,-0.2 -0.867 84.8-106.1-116.7 145.6 17.8 -4.8 -16.3 5 6 A L - 0 0 19 399,-2.8 170,-2.7 -2,-0.3 2,-0.3 -0.498 41.8-168.2 -60.0 132.5 16.9 -6.5 -13.0 6 7 A T B > -b 175 0B 10 168,-0.3 3,-2.2 -2,-0.2 4,-0.2 -0.846 35.1-103.2-127.2 163.0 13.4 -7.8 -13.0 7 8 A L G > S+ 0 0 0 168,-2.7 3,-1.4 1,-0.3 169,-0.1 0.776 113.1 68.3 -59.7 -31.7 11.1 -9.1 -10.3 8 9 A D G 3 S+ 0 0 77 1,-0.3 -1,-0.3 3,-0.0 168,-0.1 0.663 110.3 37.0 -58.0 -20.2 11.5 -12.8 -11.3 9 10 A K G < S+ 0 0 141 -3,-2.2 2,-0.6 2,-0.1 -1,-0.3 0.238 92.5 105.6-118.6 12.2 15.1 -12.5 -10.1 10 11 A L < - 0 0 9 -3,-1.4 2,-0.6 -4,-0.2 139,-0.0 -0.845 67.1-135.8 -97.2 120.1 14.7 -10.1 -7.1 11 12 A D + 0 0 101 -2,-0.6 -2,-0.1 1,-0.1 -3,-0.0 -0.669 33.0 165.9 -72.6 111.5 15.0 -11.9 -3.6 12 13 A V > + 0 0 3 -2,-0.6 3,-2.3 39,-0.2 42,-0.4 0.393 24.2 131.6-107.4 1.3 12.0 -10.4 -1.6 13 14 A K T 3 S- 0 0 160 1,-0.3 40,-0.2 40,-0.1 39,-0.2 -0.377 89.6 -5.7 -62.7 122.0 12.0 -12.9 1.3 14 15 A G T 3 S+ 0 0 42 38,-2.6 2,-0.4 1,-0.2 -1,-0.3 0.564 110.0 126.0 71.7 9.7 11.9 -10.9 4.6 15 16 A K < - 0 0 63 -3,-2.3 39,-2.1 37,-0.1 40,-1.0 -0.799 62.7-128.5-102.2 141.6 12.2 -7.7 2.6 16 17 A R E -c 55 0B 28 -2,-0.4 132,-2.9 38,-0.2 133,-1.8 -0.752 29.4-151.1 -77.3 129.1 10.0 -4.6 2.6 17 18 A V E -cd 56 149B 0 38,-2.5 40,-2.9 -2,-0.5 2,-0.5 -0.920 10.5-163.3-108.1 125.9 9.1 -3.8 -1.0 18 19 A V E -cd 57 150B 0 131,-2.4 133,-2.2 -2,-0.5 2,-0.5 -0.961 19.2-170.3-106.3 124.9 8.4 -0.2 -2.1 19 20 A M E -cd 58 151B 0 38,-3.1 40,-2.1 -2,-0.5 2,-0.5 -0.973 20.6-147.3-129.5 119.4 6.7 -0.3 -5.5 20 21 A R E +cd 59 152B 0 131,-2.2 133,-3.0 -2,-0.5 134,-0.5 -0.736 30.2 173.3 -80.8 127.6 5.8 2.5 -7.9 21 22 A V - 0 0 1 38,-2.4 2,-0.8 -2,-0.5 40,-0.3 -0.877 38.2-118.4-128.6 159.2 2.6 1.7 -9.7 22 23 A D + 0 0 12 131,-0.3 38,-0.1 -2,-0.3 134,-0.1 -0.870 44.7 154.4-100.5 96.0 0.4 3.6 -12.2 23 24 A F + 0 0 0 -2,-0.8 2,-2.1 38,-0.3 -1,-0.1 -0.105 22.8 132.6-108.1 28.0 -2.9 3.9 -10.3 24 25 A N + 0 0 25 38,-0.1 38,-0.1 13,-0.1 13,-0.0 -0.549 39.5 175.2 -78.3 74.0 -3.9 7.1 -12.2 25 26 A V - 0 0 5 -2,-2.1 2,-0.1 1,-0.1 10,-0.1 -0.514 34.2-102.1 -86.5 150.6 -7.4 5.7 -12.8 26 27 A P - 0 0 17 0, 0.0 7,-2.2 0, 0.0 8,-0.7 -0.445 37.7-165.5 -71.2 145.7 -10.3 7.5 -14.5 27 28 A M E +H 32 0C 63 5,-0.2 2,-0.3 6,-0.2 5,-0.2 -0.985 13.4 177.6-133.2 139.6 -13.0 8.9 -12.2 28 29 A K E > S-H 31 0C 57 3,-2.1 3,-2.2 -2,-0.3 0, 0.0 -0.985 81.0 -1.1-141.0 137.4 -16.5 10.2 -13.0 29 30 A N T 3 S- 0 0 130 -2,-0.3 3,-0.1 1,-0.3 -1,-0.1 0.841 129.8 -65.0 47.8 34.6 -18.9 11.4 -10.3 30 31 A N T 3 S+ 0 0 128 1,-0.2 2,-0.3 43,-0.1 -1,-0.3 0.435 112.3 114.0 70.7 5.3 -16.1 10.4 -7.8 31 32 A Q E < S-H 28 0C 143 -3,-2.2 -3,-2.1 1,-0.0 2,-0.3 -0.791 77.8-105.8-105.0 147.6 -16.3 6.7 -8.7 32 33 A I E -H 27 0C 41 -2,-0.3 -5,-0.2 -5,-0.2 3,-0.2 -0.561 31.2-169.6 -66.8 125.6 -13.5 4.7 -10.4 33 34 A T S S+ 0 0 63 -7,-2.2 2,-0.3 1,-0.3 -6,-0.2 0.601 73.5 21.7 -98.0 -12.6 -14.8 4.2 -13.9 34 35 A N - 0 0 14 -8,-0.7 3,-0.3 1,-0.0 -1,-0.3 -0.867 52.2-171.9-155.9 119.7 -12.1 1.7 -14.9 35 36 A N >> + 0 0 37 -2,-0.3 4,-2.6 1,-0.2 3,-1.1 0.335 55.3 115.9 -91.4 9.5 -10.0 -0.5 -12.6 36 37 A Q H 3> S+ 0 0 26 1,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.852 75.5 48.1 -42.3 -53.7 -7.8 -1.7 -15.5 37 38 A R H 3> S+ 0 0 19 -3,-0.3 4,-0.6 2,-0.2 -1,-0.3 0.803 113.2 47.4 -66.6 -31.4 -4.6 -0.0 -14.2 38 39 A I H X> S+ 0 0 0 -3,-1.1 3,-1.3 2,-0.2 4,-0.6 0.947 112.3 48.3 -71.8 -52.3 -5.1 -1.4 -10.6 39 40 A K H >< S+ 0 0 116 -4,-2.6 3,-1.2 1,-0.3 -2,-0.2 0.862 104.2 63.2 -52.4 -36.7 -5.9 -5.0 -11.8 40 41 A A H 3< S+ 0 0 24 -4,-2.1 4,-0.3 -5,-0.3 -1,-0.3 0.760 102.0 48.8 -67.8 -26.9 -2.8 -4.8 -14.1 41 42 A A H S+ 0 0 77 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.923 109.7 43.2 -58.5 -42.4 0.5 -10.0 -10.5 44 45 A S H > S+ 0 0 0 -3,-0.4 4,-2.1 -4,-0.3 -2,-0.2 0.912 116.1 48.3 -65.8 -42.1 3.6 -8.2 -9.2 45 46 A I H X S+ 0 0 0 -4,-1.9 4,-2.2 1,-0.2 5,-0.2 0.959 113.7 46.0 -63.8 -50.3 2.0 -7.4 -5.8 46 47 A K H X S+ 0 0 87 -4,-3.0 4,-3.1 1,-0.2 5,-0.2 0.877 109.7 55.2 -59.1 -39.7 0.8 -11.0 -5.3 47 48 A F H X S+ 0 0 55 -4,-2.1 4,-1.7 -5,-0.3 -1,-0.2 0.928 107.5 49.9 -60.2 -45.3 4.2 -12.3 -6.4 48 49 A C H <>S+ 0 0 0 -4,-2.1 5,-2.5 1,-0.2 3,-0.2 0.950 115.4 42.2 -59.2 -49.2 5.9 -10.2 -3.7 49 50 A L H ><5S+ 0 0 30 -4,-2.2 3,-1.4 1,-0.2 -2,-0.2 0.913 113.1 52.6 -64.8 -41.1 3.5 -11.5 -1.0 50 51 A D H 3<5S+ 0 0 130 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.745 108.7 51.4 -68.1 -27.2 3.6 -15.1 -2.2 51 52 A N T 3<5S- 0 0 83 -4,-1.7 -1,-0.3 -3,-0.2 -39,-0.2 0.145 128.5 -89.6-102.9 21.5 7.4 -15.2 -2.1 52 53 A G T < 5 + 0 0 35 -3,-1.4 -38,-2.6 1,-0.2 -3,-0.2 0.634 59.5 170.3 95.2 16.2 7.7 -13.8 1.5 53 54 A A < - 0 0 5 -5,-2.5 59,-0.5 -40,-0.2 -1,-0.2 -0.301 31.6-143.0 -56.5 137.8 7.8 -10.0 1.3 54 55 A K S S- 0 0 72 -39,-2.1 58,-1.2 -42,-0.4 59,-1.2 0.863 78.6 -14.9 -68.1 -38.5 7.5 -8.4 4.7 55 56 A S E -ce 16 113B 0 -40,-1.0 -38,-2.5 57,-0.2 2,-0.4 -0.977 52.6-141.1-157.7 162.3 5.5 -5.6 3.2 56 57 A V E -ce 17 114B 0 57,-2.2 59,-2.6 -2,-0.3 2,-0.6 -0.973 16.4-167.4-131.7 114.9 4.5 -4.0 -0.1 57 58 A V E -ce 18 115B 0 -40,-2.9 -38,-3.1 -2,-0.4 2,-0.4 -0.947 12.2-156.7-103.7 118.1 4.2 -0.2 0.0 58 59 A L E -ce 19 116B 0 57,-3.3 59,-2.6 -2,-0.6 2,-0.4 -0.796 11.7-176.9-101.6 137.1 2.5 1.2 -3.1 59 60 A M E +c 20 0B 0 -40,-2.1 -38,-2.4 -2,-0.4 2,-0.3 -0.998 12.7 143.3-137.6 139.2 2.9 4.7 -4.5 60 61 A S - 0 0 0 -2,-0.4 60,-2.3 57,-0.2 2,-0.2 -0.960 38.9-113.9-154.6 167.6 1.3 6.6 -7.4 61 62 A H - 0 0 6 -2,-0.3 -38,-0.3 -40,-0.3 2,-0.3 -0.640 18.9-153.9 -94.0 169.2 0.0 9.9 -8.6 62 63 A L - 0 0 8 -2,-0.2 -38,-0.1 1,-0.2 59,-0.0 -0.928 57.2 -40.8-143.4 119.6 -3.6 10.7 -9.5 63 64 A G S S- 0 0 18 -2,-0.3 -1,-0.2 1,-0.2 3,-0.1 -0.177 89.6 -58.9 62.1-154.9 -4.3 13.4 -11.9 64 65 A R + 0 0 112 1,-0.1 -1,-0.2 -3,-0.1 58,-0.0 -0.630 58.3 156.4-129.8 72.3 -2.4 16.7 -12.0 65 66 A P > - 0 0 4 0, 0.0 3,-0.8 0, 0.0 -1,-0.1 0.519 49.0-134.2 -75.8 -7.9 -2.7 18.5 -8.6 66 67 A D T 3 - 0 0 85 1,-0.2 56,-0.1 -3,-0.1 58,-0.1 0.803 62.0 -49.5 63.4 37.4 0.5 20.4 -9.4 67 68 A G T 3 S+ 0 0 19 54,-2.0 57,-0.8 1,-0.2 -1,-0.2 0.685 110.4 110.2 81.4 18.3 2.3 20.0 -6.0 68 69 A V S < S- 0 0 80 -3,-0.8 2,-0.4 53,-0.4 -1,-0.2 -0.983 76.2-108.3-121.3 136.4 -0.5 21.1 -3.8 69 70 A P + 0 0 89 0, 0.0 3,-0.1 0, 0.0 53,-0.1 -0.507 42.3 167.9 -66.1 122.2 -2.4 18.8 -1.4 70 71 A M >> + 0 0 58 -2,-0.4 4,-3.3 1,-0.1 3,-1.5 -0.465 10.3 155.3-132.0 59.1 -5.9 18.3 -2.9 71 72 A P H 3> S+ 0 0 72 0, 0.0 4,-0.7 0, 0.0 -1,-0.1 0.791 74.1 60.2 -60.8 -28.8 -7.4 15.4 -0.9 72 73 A D H 34 S+ 0 0 159 2,-0.1 -2,-0.0 1,-0.1 0, 0.0 0.783 122.3 20.8 -65.8 -28.0 -10.9 16.7 -1.7 73 74 A K H <4 S+ 0 0 133 -3,-1.5 -1,-0.1 1,-0.0 -43,-0.1 0.769 134.2 25.2-112.5 -37.2 -10.3 16.3 -5.4 74 75 A Y H < S+ 0 0 65 -4,-3.3 45,-0.2 -11,-0.0 2,-0.2 -0.153 74.0 146.2-131.5 38.5 -7.4 13.8 -6.1 75 76 A S < - 0 0 20 -4,-0.7 4,-0.1 -5,-0.2 43,-0.1 -0.539 42.3-147.4 -75.8 142.6 -7.1 11.4 -3.1 76 77 A L S >> S+ 0 0 0 -2,-0.2 3,-1.6 1,-0.2 4,-1.2 0.450 72.1 106.7 -82.0 0.4 -6.0 7.8 -3.8 77 78 A E H >> S+ 0 0 117 1,-0.3 4,-1.4 2,-0.2 3,-0.5 0.867 74.4 54.7 -51.4 -42.0 -8.2 6.6 -0.9 78 79 A P H 3> S+ 0 0 45 0, 0.0 4,-1.6 0, 0.0 -1,-0.3 0.801 102.3 58.2 -63.3 -26.2 -10.8 5.1 -3.3 79 80 A V H <> S+ 0 0 0 -3,-1.6 4,-2.4 2,-0.2 -2,-0.2 0.876 100.1 57.0 -69.2 -34.3 -8.1 3.0 -5.0 80 81 A A H S+ 0 0 73 -4,-1.6 4,-2.5 1,-0.2 5,-0.6 0.911 105.3 45.6 -51.5 -51.4 -8.7 -5.1 -1.6 85 86 A S H <5S+ 0 0 98 -4,-0.9 -1,-0.2 1,-0.2 -2,-0.2 0.875 116.2 45.8 -61.5 -38.6 -11.4 -6.8 -3.8 86 87 A L H <5S+ 0 0 42 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.820 120.2 38.3 -78.0 -30.6 -8.9 -7.4 -6.6 87 88 A L H <5S- 0 0 9 -4,-2.5 -2,-0.2 2,-0.3 -3,-0.2 0.793 94.3-132.4 -85.6 -36.2 -6.1 -8.8 -4.3 88 89 A G T <5S+ 0 0 60 -4,-2.5 2,-0.3 1,-0.3 -3,-0.1 0.665 78.9 92.9 78.3 19.9 -8.1 -10.7 -1.8 89 90 A K S S- 0 0 22 -2,-0.3 4,-2.8 1,-0.1 5,-0.2 -0.222 88.1 -59.7 99.8 170.5 7.3 12.4 6.5 100 101 A P H > S+ 0 0 102 0, 0.0 4,-1.9 0, 0.0 5,-0.1 0.842 129.6 52.0 -64.9 -37.8 7.8 10.9 10.0 101 102 A E H > S+ 0 0 166 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.938 113.7 43.6 -62.7 -45.7 4.3 9.5 10.4 102 103 A V H > S+ 0 0 5 -4,-0.3 4,-1.6 2,-0.2 5,-0.2 0.925 112.4 53.5 -64.9 -45.0 4.6 7.6 7.0 103 104 A E H X S+ 0 0 75 -4,-2.8 4,-1.0 1,-0.2 -1,-0.2 0.888 110.0 48.2 -56.6 -38.1 8.2 6.5 7.8 104 105 A K H X S+ 0 0 174 -4,-1.9 4,-0.6 -5,-0.2 3,-0.3 0.886 108.8 52.8 -70.1 -40.2 7.0 5.0 11.1 105 106 A A H < S+ 0 0 38 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.781 119.0 36.3 -64.3 -30.3 4.0 3.2 9.5 106 107 A C H < S+ 0 0 0 -4,-1.6 -1,-0.2 -5,-0.1 -2,-0.2 0.538 96.1 85.5 -99.2 -9.0 6.4 1.6 7.0 107 108 A A H < S+ 0 0 54 -4,-1.0 -2,-0.1 -3,-0.3 -3,-0.1 0.871 110.8 0.5 -66.8 -41.9 9.5 1.0 9.1 108 109 A N S < S- 0 0 132 -4,-0.6 -1,-0.2 -3,-0.1 -2,-0.1 -0.449 83.4-179.7-148.4 63.9 8.6 -2.3 10.7 109 110 A P - 0 0 18 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 -0.258 36.4 -92.2 -75.6 158.0 5.3 -3.6 9.5 110 111 A A > - 0 0 73 1,-0.1 3,-1.7 2,-0.1 -2,-0.0 -0.324 63.6 -77.5 -56.6 146.4 3.5 -6.8 10.4 111 112 A A T 3 S+ 0 0 98 1,-0.3 -57,-0.2 -3,-0.1 -56,-0.2 -0.215 117.3 13.8 -51.9 128.9 4.2 -9.7 8.1 112 113 A G T 3 S+ 0 0 40 -58,-1.2 -1,-0.3 -59,-0.5 -57,-0.2 0.569 85.3 163.3 82.9 12.2 2.3 -9.4 4.8 113 114 A S E < -e 55 0B 34 -3,-1.7 -57,-2.2 -59,-1.2 2,-0.5 -0.418 24.3-158.6 -68.0 132.0 1.2 -5.8 5.2 114 115 A V E -e 56 0B 6 -24,-0.4 -22,-2.4 -59,-0.2 2,-0.4 -0.965 14.4-176.8-109.4 128.1 0.0 -3.9 2.1 115 116 A I E -ef 57 92B 4 -59,-2.6 -57,-3.3 -2,-0.5 2,-0.5 -0.989 13.6-160.2-129.5 131.4 0.2 -0.1 2.3 116 117 A L E -ef 58 93B 0 -24,-2.6 -22,-2.6 -2,-0.4 -57,-0.2 -0.975 15.0-147.4-114.8 121.9 -1.0 2.5 -0.2 117 118 A L - 0 0 0 -59,-2.6 -20,-0.2 -2,-0.5 -57,-0.2 -0.437 25.9 -96.6 -78.7 157.7 0.5 6.1 0.1 118 119 A E - 0 0 8 -22,-1.6 -58,-0.2 1,-0.2 -1,-0.1 -0.278 66.0 -55.1 -70.3 159.5 -1.4 9.3 -0.8 119 120 A N > - 0 0 1 -45,-0.2 3,-1.5 1,-0.1 -58,-0.2 -0.064 44.6-147.9 -35.4 116.3 -1.0 11.0 -4.2 120 121 A L G > S+ 0 0 0 -60,-2.3 3,-1.5 1,-0.3 6,-0.3 0.810 92.7 66.8 -61.7 -29.6 2.7 11.7 -4.8 121 122 A R G 3 S+ 0 0 9 1,-0.3 -54,-2.0 -61,-0.2 -53,-0.4 0.466 74.2 85.3 -80.8 3.0 1.9 14.9 -6.8 122 123 A F G < S+ 0 0 14 -3,-1.5 2,-0.5 -55,-0.2 -1,-0.3 0.591 88.8 65.1 -69.9 -10.2 0.5 16.6 -3.6 123 124 A H S X> S- 0 0 42 -3,-1.5 3,-1.7 -55,-0.2 4,-0.6 -0.974 80.4-144.2-114.1 128.9 4.2 17.4 -3.2 124 125 A V H 3>>S+ 0 0 38 -57,-0.8 4,-2.1 -2,-0.5 5,-0.7 0.783 95.6 72.6 -58.7 -26.0 6.0 19.7 -5.7 125 126 A E H 345S+ 0 0 26 3,-0.2 38,-0.3 1,-0.2 -1,-0.3 0.618 83.9 66.2 -67.3 -16.7 9.1 17.5 -5.3 126 127 A E H <45S+ 0 0 1 -3,-1.7 37,-2.4 -6,-0.3 -1,-0.2 0.990 117.5 21.9 -70.1 -60.9 7.6 14.6 -7.2 127 128 A E H <5S- 0 0 51 -4,-0.6 -2,-0.2 2,-0.2 -1,-0.1 0.788 103.3-126.8 -68.4 -29.3 7.5 16.4 -10.6 128 129 A G T <5S+ 0 0 23 -4,-2.1 2,-0.3 -5,-0.2 -3,-0.2 0.589 80.9 49.1 90.3 10.1 10.0 18.8 -9.6 129 130 A K < 0 0 147 -5,-0.7 -2,-0.2 0, 0.0 -1,-0.2 -0.939 360.0 360.0-168.3 162.1 7.8 21.8 -10.5 130 131 A G 0 0 64 -2,-0.3 -63,-0.1 -3,-0.1 -64,-0.1 -0.975 360.0 360.0-164.7 360.0 4.3 23.2 -10.0 131 ! 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 0.0 132 142 A E > 0 0 113 0, 0.0 4,-1.9 0, 0.0 3,-0.5 0.000 360.0 360.0 360.0 10.7 14.5 23.3 -4.5 133 143 A P H > + 0 0 105 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.890 360.0 55.9 -53.4 -35.3 17.1 20.8 -5.1 134 144 A A H > S+ 0 0 67 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.897 109.2 44.7 -62.5 -42.4 17.5 20.1 -1.4 135 145 A K H > S+ 0 0 136 -3,-0.5 4,-2.5 2,-0.2 -1,-0.2 0.821 109.5 56.4 -72.7 -31.9 13.9 19.3 -0.8 136 146 A I H X S+ 0 0 34 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.932 109.0 47.6 -60.4 -44.7 13.8 17.1 -3.9 137 147 A E H X S+ 0 0 123 -4,-2.3 4,-2.7 -5,-0.2 -2,-0.2 0.907 112.2 49.2 -59.7 -44.2 16.7 15.1 -2.3 138 148 A A H X S+ 0 0 49 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.886 110.2 50.9 -65.7 -38.7 14.8 14.9 1.0 139 149 A F H X S+ 0 0 10 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.938 113.2 45.0 -61.4 -49.0 11.6 13.8 -0.7 140 150 A R H X S+ 0 0 78 -4,-2.3 4,-1.9 2,-0.2 29,-0.4 0.884 111.9 52.8 -63.3 -40.4 13.5 11.0 -2.5 141 151 A A H X S+ 0 0 31 -4,-2.7 4,-0.8 2,-0.2 -2,-0.2 0.892 109.7 49.6 -59.6 -43.7 15.4 10.1 0.7 142 152 A S H >X S+ 0 0 10 -4,-2.4 3,-1.0 1,-0.2 4,-0.5 0.940 109.9 48.9 -63.3 -48.6 12.1 9.7 2.5 143 153 A L H >< S+ 0 0 0 -4,-2.3 3,-1.3 1,-0.2 4,-0.2 0.888 107.1 58.2 -55.9 -38.9 10.5 7.5 -0.2 144 154 A S H >< S+ 0 0 1 -4,-1.9 3,-0.7 1,-0.3 -1,-0.2 0.718 97.4 60.7 -69.2 -21.5 13.6 5.3 -0.1 145 155 A K H << S+ 0 0 104 -3,-1.0 -1,-0.3 -4,-0.8 -2,-0.2 0.667 87.5 75.5 -76.3 -17.8 13.2 4.6 3.6 146 156 A L T << S+ 0 0 1 -3,-1.3 2,-0.3 -4,-0.5 -1,-0.2 0.575 104.7 20.4 -78.9 -11.6 9.8 2.9 3.0 147 157 A G < - 0 0 1 -3,-0.7 -130,-0.2 -4,-0.2 3,-0.1 -0.934 59.7-137.7-144.0 169.4 11.3 -0.3 1.6 148 158 A D S S+ 0 0 61 -132,-2.9 24,-0.4 -2,-0.3 2,-0.3 0.678 96.7 26.6 -95.0 -28.3 14.5 -2.3 1.4 149 159 A V E S-d 17 0B 4 -133,-1.8 -131,-2.4 22,-0.1 2,-0.4 -0.925 78.6-135.8-131.2 155.1 14.1 -3.1 -2.3 150 160 A Y E -dg 18 173B 6 22,-2.5 24,-2.9 -2,-0.3 2,-0.4 -0.938 13.8-172.3-118.4 139.7 12.3 -1.2 -5.1 151 161 A V E -dg 19 174B 0 -133,-2.2 -131,-2.2 -2,-0.4 2,-0.6 -0.994 9.3-157.6-124.4 134.4 10.0 -2.4 -7.9 152 162 A N E +dg 20 175B 0 22,-2.7 24,-2.3 -2,-0.4 -131,-0.2 -0.942 28.5 152.7-110.4 109.3 8.8 -0.2 -10.7 153 163 A D + 0 0 1 -133,-3.0 2,-1.8 -2,-0.6 -131,-0.3 0.191 37.1 116.7-110.5 15.2 5.6 -1.6 -12.3 154 164 A A > + 0 0 0 -134,-0.5 3,-1.5 -133,-0.2 4,-0.5 -0.423 25.9 157.3 -89.8 66.2 4.3 1.9 -13.4 155 165 A F G > S+ 0 0 0 -2,-1.8 3,-1.7 1,-0.3 4,-0.3 0.918 72.1 58.2 -55.0 -45.5 4.3 1.3 -17.2 156 166 A G G 3 S+ 0 0 5 1,-0.3 231,-0.4 -3,-0.3 229,-0.4 0.673 114.3 37.3 -59.7 -19.5 1.8 4.1 -17.7 157 167 A T G X S+ 0 0 2 -3,-1.5 3,-2.4 1,-0.1 -1,-0.3 0.287 83.3 109.5-109.2 4.7 4.1 6.6 -16.0 158 168 A A T < S+ 0 0 0 -3,-1.7 241,-2.7 -4,-0.5 242,-0.4 0.679 70.4 62.3 -66.6 -19.2 7.4 5.3 -17.4 159 169 A H T 3 S+ 0 0 24 -4,-0.3 2,-0.6 238,-0.2 -1,-0.3 0.538 87.9 91.2 -75.0 -9.4 7.9 8.3 -19.7 160 170 A R < - 0 0 46 -3,-2.4 2,-1.7 1,-0.1 5,-0.1 -0.836 63.7-155.4 -98.6 119.9 8.1 10.6 -16.6 161 171 A A + 0 0 63 -2,-0.6 2,-0.2 4,-0.1 -3,-0.1 -0.410 46.7 148.0 -84.9 58.2 11.5 11.3 -15.0 162 172 A H >> - 0 0 23 -2,-1.7 4,-2.1 -5,-0.2 3,-1.5 -0.504 62.3-100.9 -98.0 161.8 9.8 12.1 -11.7 163 173 A S H 3> S+ 0 0 1 -37,-2.4 4,-2.0 -38,-0.3 5,-0.2 0.866 121.1 45.9 -53.2 -49.3 11.2 11.4 -8.2 164 174 A S H 34 S+ 0 0 0 1,-0.2 -1,-0.3 2,-0.2 -144,-0.1 0.653 118.1 46.7 -67.4 -16.1 9.2 8.2 -7.4 165 175 A M H <4 S+ 0 0 2 -3,-1.5 -2,-0.2 -39,-0.2 -1,-0.2 0.732 133.2 6.6 -99.1 -31.9 10.2 6.9 -10.9 166 176 A V H < S+ 0 0 47 -4,-2.1 -3,-0.2 -3,-0.1 -2,-0.2 0.422 119.1 65.5-130.2 -4.8 13.9 7.6 -11.2 167 177 A G < + 0 0 14 -4,-2.0 2,-0.4 -5,-0.5 -3,-0.1 0.353 59.8 118.5-112.4 1.7 15.0 8.9 -7.8 168 178 A V - 0 0 7 -5,-0.2 2,-0.8 -4,-0.1 -27,-0.1 -0.597 51.3-150.3 -75.0 129.7 14.6 6.1 -5.3 169 179 A N + 0 0 128 -29,-0.4 -1,-0.1 -2,-0.4 -2,-0.0 -0.771 44.0 125.1-108.5 87.6 18.0 5.2 -3.8 170 180 A L - 0 0 22 -2,-0.8 -21,-0.1 1,-0.1 -22,-0.1 -0.949 66.1-115.0-134.2 153.9 18.1 1.5 -2.9 171 181 A P S S+ 0 0 116 0, 0.0 2,-0.5 0, 0.0 -22,-0.1 0.835 102.9 46.1 -58.6 -36.1 20.6 -1.2 -4.0 172 182 A Q + 0 0 64 -24,-0.4 -22,-2.5 232,-0.0 2,-0.5 -0.954 60.9 174.4-117.8 119.3 18.1 -3.2 -6.0 173 183 A K E - g 0 150B 64 -2,-0.5 231,-2.5 -24,-0.2 2,-0.3 -0.961 18.4-172.6-125.5 103.2 15.7 -1.5 -8.4 174 184 A A E - g 0 151B 0 -24,-2.9 -22,-2.7 -2,-0.5 2,-0.3 -0.810 25.0-123.2-108.4 141.5 13.6 -4.1 -10.4 175 185 A G E -bg 6 152B 0 -170,-2.7 -168,-2.7 -2,-0.3 -22,-0.2 -0.630 34.2-132.9 -72.9 134.8 11.2 -3.9 -13.3 176 186 A G > - 0 0 0 -24,-2.3 4,-2.2 -2,-0.3 5,-0.1 -0.183 24.9 -97.2 -82.9 176.4 7.8 -5.5 -12.4 177 187 A F H > S+ 0 0 53 2,-0.2 4,-2.3 1,-0.2 5,-0.1 0.790 121.3 51.0 -70.8 -29.8 5.8 -7.9 -14.5 178 188 A L H > S+ 0 0 18 2,-0.2 4,-2.7 1,-0.2 5,-0.3 0.912 109.4 52.2 -71.4 -42.9 3.4 -5.3 -16.1 179 189 A M H > S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.939 113.6 44.5 -52.1 -48.8 6.5 -3.3 -17.1 180 190 A K H X S+ 0 0 51 -4,-2.2 4,-2.6 2,-0.2 5,-0.2 0.926 112.4 50.9 -63.8 -47.0 7.9 -6.4 -18.7 181 191 A K H X S+ 0 0 138 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.930 114.4 43.3 -57.7 -48.8 4.6 -7.5 -20.4 182 192 A E H X S+ 0 0 5 -4,-2.7 4,-2.4 2,-0.2 5,-0.2 0.937 114.8 47.9 -66.5 -48.0 4.0 -4.1 -22.0 183 193 A L H X S+ 0 0 27 -4,-2.4 4,-2.6 -5,-0.3 -2,-0.2 0.905 112.4 51.0 -62.1 -38.2 7.6 -3.5 -23.1 184 194 A N H X S+ 0 0 89 -4,-2.6 4,-1.8 -5,-0.2 -1,-0.2 0.897 109.7 49.4 -65.4 -42.1 7.7 -7.1 -24.6 185 195 A Y H X S+ 0 0 60 -4,-2.0 4,-2.4 -5,-0.2 -2,-0.2 0.957 115.1 43.4 -60.9 -51.5 4.4 -6.5 -26.5 186 196 A F H X S+ 0 0 3 -4,-2.4 4,-2.4 1,-0.2 5,-0.2 0.879 107.9 59.0 -65.0 -36.4 5.6 -3.2 -28.0 187 197 A A H X S+ 0 0 62 -4,-2.6 4,-0.9 -5,-0.2 -1,-0.2 0.944 112.6 39.9 -58.9 -43.6 9.1 -4.5 -28.8 188 198 A K H X S+ 0 0 180 -4,-1.8 4,-0.6 1,-0.2 3,-0.4 0.920 117.6 47.4 -69.5 -44.0 7.6 -7.2 -31.0 189 199 A A H < S+ 0 0 13 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.749 116.6 43.1 -71.1 -26.8 4.9 -5.0 -32.6 190 200 A L H < S+ 0 0 44 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.547 93.0 81.0 -98.6 -8.7 7.2 -2.1 -33.4 191 201 A E H < S- 0 0 157 -4,-0.9 -2,-0.1 -3,-0.4 -1,-0.1 0.913 119.6 -3.2 -63.9 -47.9 10.2 -4.1 -34.7 192 202 A S S < S- 0 0 90 -4,-0.6 -1,-0.2 -3,-0.0 -2,-0.1 -0.528 85.4-158.1-145.0 73.5 8.7 -4.6 -38.2 193 203 A P - 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