==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 28-JAN-08 3C3C . COMPND 2 MOLECULE: PHOSPHOGLYCERATE KINASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR S.T.AROLD,C.GONDEAU,C.LIONNE,L.CHALOIN . 801 5 1 0 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 37030.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 563 70.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 102 12.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 40 5.0 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 . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 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 . 65 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 87 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 216 27.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 1.4 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 6 1 1 4 0 1 3 3 1 3 1 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 2 5 8 5 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 . 4 4 2 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 ANTIPARALLEL BRIDGES PER LADDER . 4 0 2 0 2 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 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 S 0 0 89 0, 0.0 193,-0.0 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 89.5 -2.3 -3.6 7.6 2 2 A L + 0 0 22 2,-0.1 3,-0.2 1,-0.1 183,-0.1 0.144 360.0 105.9-132.1 13.6 -1.3 -1.2 4.8 3 3 A S S S+ 0 0 24 1,-0.2 449,-0.1 448,-0.1 448,-0.1 0.755 93.1 34.3 -58.7 -32.7 -2.8 -3.0 1.7 4 4 A N S S+ 0 0 16 447,-0.1 400,-2.2 2,-0.1 2,-0.3 0.355 103.8 86.4-112.5 -1.2 -5.6 -0.4 1.5 5 5 A K B S-A 403 0A 29 398,-0.2 2,-0.3 -3,-0.2 398,-0.2 -0.689 83.4-107.6 -97.1 153.6 -3.8 2.7 2.7 6 6 A L - 0 0 27 396,-2.2 179,-1.7 177,-0.4 2,-0.3 -0.629 41.4-169.4 -74.8 141.4 -1.8 5.1 0.5 7 7 A T B >> -b 185 0B 13 177,-0.3 3,-1.4 -2,-0.3 4,-0.9 -0.859 33.9-103.4-133.6 165.4 2.0 4.7 1.1 8 8 A L T 34 S+ 0 0 0 177,-2.3 3,-0.5 -2,-0.3 178,-0.1 0.824 107.5 73.2 -67.4 -34.4 5.0 6.8 0.1 9 9 A D T 34 S+ 0 0 76 1,-0.3 -1,-0.3 3,-0.0 177,-0.1 0.708 109.6 35.6 -54.2 -17.8 6.2 4.5 -2.7 10 10 A K T <4 S+ 0 0 149 -3,-1.4 -1,-0.3 2,-0.1 -2,-0.2 0.664 90.1 103.5-110.0 -27.6 3.3 5.7 -4.8 11 11 A L < - 0 0 6 -4,-0.9 2,-0.6 -3,-0.5 148,-0.0 -0.433 65.7-140.9 -58.1 122.5 2.9 9.3 -3.7 12 12 A D + 0 0 101 -2,-0.2 -1,-0.1 1,-0.1 -2,-0.1 -0.856 27.6 171.2 -90.2 121.1 4.4 11.6 -6.5 13 13 A V > + 0 0 1 -2,-0.6 3,-3.0 39,-0.1 42,-0.4 0.345 21.1 141.2-115.9 -1.0 6.2 14.4 -4.7 14 14 A K T 3 S- 0 0 147 1,-0.3 40,-0.2 40,-0.1 39,-0.2 -0.244 86.0 -6.7 -52.7 120.3 7.9 16.1 -7.6 15 15 A G T 3 S+ 0 0 47 38,-3.3 2,-0.3 1,-0.2 -1,-0.3 0.601 111.0 127.8 64.5 12.6 7.8 19.9 -7.1 16 16 A K < - 0 0 68 -3,-3.0 39,-2.3 37,-0.2 40,-1.0 -0.739 63.0-123.8-103.3 147.1 5.6 19.3 -4.1 17 17 A R E -c 56 0B 29 -2,-0.3 141,-2.7 38,-0.2 142,-1.8 -0.802 30.1-153.7 -79.9 127.3 5.9 20.6 -0.5 18 18 A V E -cd 57 159B 0 38,-2.9 40,-2.9 -2,-0.5 2,-0.6 -0.896 11.1-164.0-112.2 114.0 5.9 17.6 2.0 19 19 A V E -cd 58 160B 0 140,-2.3 142,-2.5 -2,-0.5 2,-0.5 -0.848 18.1-169.8 -89.1 127.4 4.8 17.8 5.7 20 20 A M E -cd 59 161B 0 38,-3.1 40,-2.2 -2,-0.6 2,-0.5 -0.948 19.6-151.1-128.3 113.3 6.0 14.8 7.6 21 21 A R E +cd 60 162B 0 140,-2.1 142,-2.7 -2,-0.5 143,-0.4 -0.677 31.7 169.1 -70.0 122.3 5.1 13.6 11.1 22 22 A V - 0 0 0 38,-2.4 2,-0.9 -2,-0.5 40,-0.3 -0.907 40.1-114.8-128.6 161.1 8.1 11.8 12.5 23 23 A D + 0 0 10 140,-0.4 143,-0.1 -2,-0.3 38,-0.1 -0.826 45.8 152.2 -99.4 96.6 9.0 10.5 15.9 24 24 A F + 0 0 0 -2,-0.9 2,-1.9 38,-0.3 -1,-0.1 0.014 25.3 130.1-107.1 19.9 12.1 12.5 17.0 25 25 A N + 0 0 38 38,-0.1 38,-0.1 13,-0.1 -2,-0.0 -0.571 41.4 176.6 -72.6 81.5 11.3 12.1 20.7 26 26 A V - 0 0 7 -2,-1.9 2,-0.1 1,-0.1 10,-0.1 -0.605 36.3 -99.2 -96.5 149.3 14.9 10.9 21.6 27 27 A P - 0 0 60 0, 0.0 7,-2.9 0, 0.0 8,-0.9 -0.427 51.0-171.3 -65.2 138.6 16.4 10.0 25.1 28 28 A M E -H 33 0C 60 5,-0.3 2,-0.3 6,-0.2 5,-0.2 -0.962 25.6-168.0-139.1 151.8 18.5 13.0 26.4 29 29 A K E > S-H 32 0C 139 3,-2.5 3,-0.7 -2,-0.3 0, 0.0 -0.973 77.4 -18.5-138.8 126.7 20.9 14.1 29.1 30 30 A N T 3 S- 0 0 139 -2,-0.3 3,-0.1 1,-0.3 -1,-0.0 0.833 129.5 -46.5 52.6 45.8 22.0 17.7 29.8 31 31 A N T 3 S+ 0 0 104 43,-0.2 2,-0.4 1,-0.2 -1,-0.3 0.788 118.0 117.7 62.4 32.6 20.9 19.0 26.4 32 32 A Q E < -H 29 0C 135 -3,-0.7 -3,-2.5 47,-0.0 -1,-0.2 -0.962 68.8-122.4-135.2 121.4 22.6 16.0 24.7 33 33 A I E -H 28 0C 36 -2,-0.4 -5,-0.3 -5,-0.2 3,-0.2 -0.333 22.1-172.4 -56.4 123.3 21.0 13.2 22.6 34 34 A T S S+ 0 0 88 -7,-2.9 2,-0.3 1,-0.3 -6,-0.2 0.596 75.8 24.5 -94.4 -14.5 21.8 9.9 24.3 35 35 A N - 0 0 69 -8,-0.9 3,-0.5 1,-0.0 -1,-0.3 -0.850 55.4-175.6-154.1 111.5 20.4 7.8 21.4 36 36 A N > + 0 0 54 -2,-0.3 4,-1.8 1,-0.2 5,-0.2 0.148 54.6 110.8 -95.8 22.1 19.9 8.9 17.8 37 37 A Q H > S+ 0 0 47 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.847 74.9 53.5 -63.2 -34.7 18.2 5.8 16.6 38 38 A R H > S+ 0 0 54 -3,-0.5 4,-0.6 1,-0.2 -15,-0.2 0.833 108.8 50.6 -74.7 -30.3 14.8 7.6 16.1 39 39 A I H >4 S+ 0 0 0 2,-0.2 3,-0.5 -4,-0.2 4,-0.3 0.887 109.9 48.3 -67.7 -44.6 16.4 10.2 13.9 40 40 A K H >< S+ 0 0 120 -4,-1.8 3,-1.7 1,-0.2 -2,-0.2 0.882 103.5 61.8 -64.7 -42.0 18.2 7.6 11.6 41 41 A A H 3< S+ 0 0 21 -4,-1.8 4,-0.3 1,-0.3 -1,-0.2 0.760 101.6 52.9 -52.9 -33.8 15.0 5.6 11.2 42 42 A A T S+ 0 0 21 -3,-1.7 4,-2.8 -4,-0.3 5,-0.2 0.926 77.3 55.1 -65.1 -48.0 16.2 9.1 7.0 44 44 A P H > S+ 0 0 73 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.823 109.2 47.5 -57.3 -33.7 15.1 6.9 4.0 45 45 A S H > S+ 0 0 0 -3,-0.3 4,-2.1 -4,-0.3 -2,-0.2 0.923 114.5 48.0 -68.5 -44.7 11.6 8.6 3.6 46 46 A I H X S+ 0 0 0 -4,-1.4 4,-2.4 2,-0.2 5,-0.2 0.907 112.8 47.3 -59.1 -48.8 13.3 12.0 3.8 47 47 A K H X S+ 0 0 93 -4,-2.8 4,-4.1 1,-0.2 5,-0.2 0.944 110.1 52.7 -60.8 -48.9 15.9 11.0 1.2 48 48 A F H X S+ 0 0 45 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.860 111.0 47.7 -51.1 -46.9 13.3 9.5 -1.1 49 49 A C H X>S+ 0 0 0 -4,-2.1 5,-2.3 2,-0.2 4,-0.7 0.926 116.1 42.6 -61.9 -51.3 11.3 12.8 -1.0 50 50 A L H ><5S+ 0 0 26 -4,-2.4 3,-1.0 1,-0.2 -2,-0.2 0.941 116.3 49.5 -61.6 -46.2 14.4 14.9 -1.6 51 51 A D H 3<5S+ 0 0 131 -4,-4.1 -2,-0.2 1,-0.2 -1,-0.2 0.824 108.2 53.8 -62.8 -35.0 15.6 12.4 -4.3 52 52 A N H 3<5S- 0 0 81 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.518 128.3 -88.1 -84.7 -5.1 12.3 12.4 -6.1 53 53 A G T <<5 + 0 0 31 -3,-1.0 -38,-3.3 -4,-0.7 -3,-0.2 0.664 59.8 172.9 115.3 24.2 12.0 16.2 -6.5 54 54 A A < - 0 0 5 -5,-2.3 59,-0.7 -40,-0.2 -37,-0.2 -0.339 30.1-146.1 -62.7 137.6 10.3 17.5 -3.4 55 55 A K S S- 0 0 67 -39,-2.3 58,-1.3 -42,-0.4 59,-1.3 0.900 79.8 -14.1 -63.3 -40.2 10.2 21.3 -3.1 56 56 A S E -ce 17 114B 0 -40,-1.0 -38,-2.9 57,-0.2 2,-0.5 -0.991 52.4-140.9-163.2 147.1 10.6 20.9 0.6 57 57 A V E -ce 18 115B 0 57,-3.2 59,-3.1 -2,-0.3 2,-0.6 -0.961 19.1-168.9-118.5 112.1 10.5 18.5 3.5 58 58 A V E -ce 19 116B 0 -40,-2.9 -38,-3.1 -2,-0.5 2,-0.4 -0.909 10.4-159.6-100.7 120.4 8.9 20.0 6.7 59 59 A L E -ce 20 117B 0 57,-4.0 59,-2.8 -2,-0.6 2,-0.4 -0.833 10.3-177.6-109.8 134.0 9.4 17.8 9.7 60 60 A M E +c 21 0B 0 -40,-2.2 -38,-2.4 -2,-0.4 2,-0.3 -0.983 13.0 139.4-136.6 144.9 7.4 17.8 12.9 61 61 A S - 0 0 0 -2,-0.4 60,-2.2 57,-0.2 2,-0.3 -0.951 38.6-112.4-162.0 169.1 7.5 16.0 16.2 62 62 A H - 0 0 6 -2,-0.3 -38,-0.3 -40,-0.3 2,-0.3 -0.741 18.5-155.6-104.2 168.5 7.1 16.2 20.0 63 63 A L - 0 0 7 -2,-0.3 -38,-0.1 1,-0.2 14,-0.1 -0.941 56.3 -34.1-145.6 122.6 9.9 15.7 22.6 64 64 A G S S- 0 0 20 -2,-0.3 -1,-0.2 1,-0.2 58,-0.1 -0.178 89.7 -63.7 62.2-159.9 9.1 14.7 26.3 65 65 A R + 0 0 160 1,-0.1 -1,-0.2 -3,-0.1 58,-0.0 -0.704 57.6 156.1-124.7 80.3 5.9 15.8 28.1 66 66 A P > - 0 0 6 0, 0.0 3,-1.2 0, 0.0 -1,-0.1 0.471 47.2-136.2 -85.6 2.7 5.8 19.5 28.5 67 67 A D T 3 - 0 0 40 1,-0.2 65,-1.3 -3,-0.1 58,-0.1 0.818 64.2 -48.9 52.2 45.8 1.9 19.4 28.8 68 68 A G T 3 S+ 0 0 18 54,-2.0 57,-0.8 1,-0.2 -1,-0.2 0.658 111.5 109.7 70.2 19.0 1.1 22.4 26.5 69 69 A V S < S- 0 0 66 -3,-1.2 2,-0.4 53,-0.4 -1,-0.2 -0.969 76.0-111.5-114.3 137.8 3.4 24.9 28.1 70 70 A P + 0 0 85 0, 0.0 3,-0.1 0, 0.0 53,-0.1 -0.583 39.5 170.7 -72.4 126.9 6.5 26.0 26.0 71 71 A M >> + 0 0 64 -2,-0.4 4,-3.5 4,-0.1 3,-1.6 -0.447 12.3 155.5-130.4 63.2 9.8 24.8 27.6 72 72 A P T 34 S+ 0 0 63 0, 0.0 4,-0.4 0, 0.0 6,-0.1 0.661 73.6 61.8 -67.9 -10.3 12.6 25.5 25.0 73 73 A D T 34 S+ 0 0 161 2,-0.1 -2,-0.0 -3,-0.1 0, 0.0 0.682 123.3 15.2 -87.3 -19.9 15.1 25.5 27.9 74 74 A K T <4 S+ 0 0 134 -3,-1.6 -43,-0.2 -44,-0.0 -1,-0.1 0.656 135.4 32.2-119.5 -33.7 14.4 21.8 28.8 75 75 A Y S < S+ 0 0 61 -4,-3.5 2,-0.3 -11,-0.0 45,-0.2 -0.086 75.3 143.4-126.6 37.2 12.5 20.2 25.9 76 76 A S - 0 0 6 -4,-0.4 4,-0.2 -5,-0.1 43,-0.1 -0.598 45.7-145.9 -84.7 139.5 13.6 21.8 22.7 77 77 A L S > S+ 0 0 0 -2,-0.3 4,-1.5 1,-0.2 3,-0.5 0.392 76.1 102.0 -77.1 1.2 14.0 19.9 19.3 78 78 A E H > S+ 0 0 103 1,-0.2 4,-1.3 2,-0.2 3,-0.4 0.913 74.8 56.1 -51.7 -49.9 17.1 22.1 18.4 79 79 A P H > S+ 0 0 22 0, 0.0 4,-1.5 0, 0.0 3,-0.2 0.869 104.7 54.5 -51.8 -38.4 19.6 19.4 19.3 80 80 A V H > S+ 0 0 0 -3,-0.5 4,-3.0 1,-0.2 -2,-0.2 0.891 101.3 58.6 -61.3 -42.7 17.9 17.0 16.9 81 81 A A H X S+ 0 0 7 -4,-1.5 4,-1.7 -3,-0.4 -1,-0.2 0.852 105.7 48.5 -52.7 -39.3 18.2 19.6 14.0 82 82 A V H X S+ 0 0 101 -4,-1.3 4,-1.2 -3,-0.2 -1,-0.2 0.876 114.4 46.7 -73.4 -34.6 22.0 19.6 14.4 83 83 A E H X S+ 0 0 48 -4,-1.5 4,-1.9 -5,-0.2 -2,-0.2 0.867 109.5 53.0 -71.8 -40.7 22.0 15.8 14.4 84 84 A L H X S+ 0 0 0 -4,-3.0 4,-2.5 1,-0.2 6,-0.3 0.883 104.3 57.3 -65.0 -37.8 19.7 15.5 11.4 85 85 A K H X>S+ 0 0 105 -4,-1.7 4,-1.7 2,-0.2 5,-0.9 0.875 108.5 44.8 -61.9 -44.0 22.0 17.8 9.3 86 86 A S H <5S+ 0 0 82 -4,-1.2 3,-0.4 2,-0.2 -2,-0.2 0.978 115.9 46.5 -65.1 -56.0 25.0 15.6 9.8 87 87 A L H <5S+ 0 0 46 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.845 119.1 41.9 -49.3 -41.4 23.1 12.3 9.1 88 88 A L H <5S- 0 0 14 -4,-2.5 -1,-0.2 2,-0.2 -2,-0.2 0.742 96.0-132.7 -82.8 -26.1 21.4 13.9 6.0 89 89 A G T <5S+ 0 0 71 -4,-1.7 2,-0.3 -3,-0.4 -3,-0.2 0.649 74.6 104.6 72.3 20.1 24.3 15.7 4.4 90 90 A K S S- 0 0 21 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 -0.393 89.9 -48.7 106.2 176.7 1.4 30.7 13.2 101 101 A P H > S+ 0 0 111 0, 0.0 4,-2.4 0, 0.0 5,-0.3 0.921 129.5 45.9 -52.0 -57.9 2.4 33.5 10.7 102 102 A E H > S+ 0 0 171 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.906 116.3 46.5 -58.0 -44.0 6.2 33.2 10.8 103 103 A V H > S+ 0 0 7 -4,-0.3 4,-1.3 2,-0.2 -1,-0.2 0.888 111.6 49.9 -65.8 -42.3 6.0 29.4 10.4 104 104 A E H < S+ 0 0 54 -4,-2.4 4,-0.4 1,-0.2 -2,-0.2 0.922 114.0 45.4 -68.4 -42.7 3.5 29.4 7.6 105 105 A K H >< S+ 0 0 176 -4,-2.4 3,-1.0 1,-0.2 4,-0.5 0.899 109.5 54.4 -63.4 -47.1 5.5 32.0 5.6 106 106 A A H 3< S+ 0 0 36 -4,-2.4 -1,-0.2 -5,-0.3 -2,-0.2 0.805 119.1 35.6 -56.5 -29.0 8.8 30.2 6.2 107 107 A C T 3< S+ 0 0 0 -4,-1.3 -1,-0.2 -3,-0.2 -2,-0.2 0.389 90.7 97.3-105.2 0.9 7.1 27.0 4.7 108 108 A A S < S- 0 0 56 -3,-1.0 -1,-0.1 -4,-0.4 -2,-0.1 0.802 111.0 -18.5 -64.5 -29.8 5.0 28.8 2.1 109 109 A N S S- 0 0 108 -4,-0.5 -1,-0.2 -3,-0.2 -2,-0.1 -0.257 79.1-172.6-177.1 63.6 7.4 28.2 -0.8 110 110 A P - 0 0 20 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 -0.126 40.7 -75.9 -70.9 170.7 11.0 27.3 0.3 111 111 A A > - 0 0 72 1,-0.2 3,-1.7 2,-0.1 -2,-0.0 -0.346 70.0 -80.1 -61.3 145.3 14.1 27.0 -1.9 112 112 A A T 3 S+ 0 0 97 1,-0.2 -57,-0.2 -3,-0.1 -56,-0.2 -0.238 117.9 17.8 -55.7 127.5 14.0 23.7 -3.9 113 113 A G T 3 S+ 0 0 12 -58,-1.3 -1,-0.2 -59,-0.7 -57,-0.2 0.546 84.9 160.4 87.0 9.7 15.2 20.8 -1.7 114 114 A S E < -e 56 0B 34 -3,-1.7 -57,-3.2 -59,-1.3 2,-0.5 -0.421 27.1-156.4 -67.8 136.1 14.8 22.5 1.8 115 115 A V E -ef 57 92B 3 -24,-0.5 -22,-2.5 -59,-0.2 2,-0.4 -0.961 16.9-175.9-110.5 128.4 14.6 20.4 5.0 116 116 A I E -ef 58 93B 1 -59,-3.1 -57,-4.0 -2,-0.5 2,-0.5 -0.991 13.1-162.7-133.2 129.6 12.8 22.2 7.8 117 117 A L E -ef 59 94B 0 -24,-2.2 -22,-2.5 -2,-0.4 -57,-0.2 -0.955 13.3-148.6-115.2 127.0 12.3 21.0 11.4 118 118 A L - 0 0 0 -59,-2.8 -57,-0.2 -2,-0.5 -20,-0.2 -0.509 26.2 -94.8 -89.6 160.5 9.7 22.7 13.6 119 119 A E - 0 0 2 -22,-1.4 -58,-0.2 -24,-0.2 -1,-0.1 -0.311 66.1 -55.4 -70.3 153.9 9.8 23.2 17.4 120 120 A N > - 0 0 1 -45,-0.2 3,-1.2 1,-0.1 -58,-0.2 0.043 45.3-148.8 -26.0 114.6 8.2 20.7 19.9 121 121 A L G > S+ 0 0 0 -60,-2.2 3,-1.8 1,-0.3 6,-0.4 0.814 91.1 67.6 -62.9 -32.2 4.5 20.3 19.0 122 122 A R G 3 S+ 0 0 12 1,-0.3 -54,-2.0 -61,-0.1 -53,-0.4 0.265 73.8 85.7 -81.9 13.3 3.5 19.8 22.7 123 123 A F G < S+ 0 0 15 -3,-1.2 2,-0.6 -55,-0.2 -1,-0.3 0.556 86.9 67.0 -79.8 -13.4 4.4 23.4 23.5 124 124 A H S X> S- 0 0 38 -3,-1.8 3,-2.7 -55,-0.1 4,-0.5 -0.944 80.0-145.8-113.2 115.7 0.8 23.9 22.3 125 125 A V H 3>>S+ 0 0 23 -57,-0.8 4,-1.9 -2,-0.6 5,-0.7 0.756 96.5 72.4 -44.6 -26.0 -2.0 22.4 24.5 126 126 A E H 345S+ 0 0 19 2,-0.2 47,-0.3 1,-0.2 -1,-0.3 0.690 82.1 67.7 -71.3 -18.4 -3.8 21.8 21.1 127 127 A E H <45S+ 0 0 0 -3,-2.7 46,-2.3 -6,-0.4 47,-0.2 0.975 116.6 24.7 -62.9 -54.6 -1.5 18.9 20.1 128 128 A E H <5S- 0 0 31 -4,-0.5 -2,-0.2 2,-0.3 -1,-0.2 0.787 102.8-130.6 -73.7 -28.4 -2.8 16.6 22.8 129 129 A G T <5S+ 0 0 28 -4,-1.9 12,-1.0 -5,-0.2 2,-0.3 0.505 85.5 58.0 81.7 7.9 -6.1 18.5 23.0 130 130 A K E < +I 140 0D 132 -5,-0.7 -2,-0.3 10,-0.2 2,-0.3 -0.962 63.4 163.5-155.0 162.0 -5.5 18.6 26.8 131 131 A G E -I 139 0D 7 8,-2.0 8,-1.8 -2,-0.3 2,-0.4 -0.990 32.5 -99.1-169.2 179.9 -2.9 19.9 29.2 132 132 A K E -I 138 0D 115 -65,-1.3 6,-0.2 -2,-0.3 -7,-0.0 -0.927 29.9-141.8-113.7 137.1 -1.7 20.9 32.7 133 133 A D > - 0 0 69 4,-0.8 3,-1.0 -2,-0.4 -64,-0.1 -0.053 39.6 -88.0 -79.9-170.5 -1.4 24.5 34.0 134 134 A A T 3 S+ 0 0 88 1,-0.2 -1,-0.1 2,-0.1 -2,-0.0 0.435 132.1 49.5 -81.7 -3.2 1.4 26.1 36.2 135 135 A S T 3 S- 0 0 100 2,-0.1 -1,-0.2 0, 0.0 -2,-0.0 0.176 120.5-112.2-111.0 6.5 -0.6 24.9 39.3 136 136 A G < + 0 0 54 -3,-1.0 2,-0.2 1,-0.2 -2,-0.1 0.907 66.2 137.6 63.5 53.7 -1.0 21.4 37.8 137 137 A N - 0 0 101 0, 0.0 2,-1.6 0, 0.0 -4,-0.8 -0.665 64.9 -77.8-120.4 175.2 -4.7 21.1 37.1 138 138 A K E -I 132 0D 202 -2,-0.2 2,-0.4 -6,-0.2 -6,-0.2 -0.539 47.8-168.7 -79.7 82.0 -6.9 19.7 34.2 139 139 A V E -I 131 0D 66 -8,-1.8 -8,-2.0 -2,-1.6 2,-0.3 -0.597 11.4-144.6 -75.2 121.3 -6.7 22.4 31.5 140 140 A K E -I 130 0D 188 -2,-0.4 -10,-0.2 -10,-0.2 2,-0.2 -0.655 10.8-132.4 -80.9 137.7 -9.3 21.9 28.7 141 141 A A - 0 0 20 -12,-1.0 3,-0.1 -2,-0.3 -1,-0.0 -0.520 21.5-115.2 -83.6 164.1 -8.4 22.7 25.1 142 142 A E >> - 0 0 117 -2,-0.2 4,-2.1 1,-0.1 3,-0.6 -0.866 8.1-140.7-105.9 126.4 -10.7 24.7 22.9 143 143 A P H 3> S+ 0 0 97 0, 0.0 4,-2.6 0, 0.0 3,-0.5 0.921 105.7 50.9 -50.4 -50.2 -12.3 23.2 19.8 144 144 A A H 3> S+ 0 0 66 1,-0.3 4,-1.2 2,-0.2 5,-0.1 0.806 112.2 49.0 -57.2 -33.2 -11.9 26.4 17.8 145 145 A K H <> S+ 0 0 121 -3,-0.6 4,-1.6 2,-0.2 -1,-0.3 0.779 109.4 50.5 -76.8 -30.1 -8.2 26.5 18.9 146 146 A I H X S+ 0 0 31 -4,-2.1 4,-2.4 -3,-0.5 5,-0.2 0.914 109.4 51.1 -71.5 -42.3 -7.7 22.9 17.9 147 147 A E H X S+ 0 0 140 -4,-2.6 4,-1.6 1,-0.2 -2,-0.2 0.824 112.4 48.0 -62.9 -35.6 -9.2 23.5 14.4 148 148 A A H X S+ 0 0 56 -4,-1.2 4,-1.8 -5,-0.2 -1,-0.2 0.808 109.6 51.1 -71.5 -39.5 -6.8 26.5 14.1 149 149 A F H X S+ 0 0 7 -4,-1.6 4,-1.3 2,-0.2 -2,-0.2 0.941 116.1 41.7 -61.8 -50.3 -3.7 24.5 15.2 150 150 A R H X S+ 0 0 77 -4,-2.4 4,-1.9 2,-0.2 29,-0.4 0.813 113.1 52.6 -63.5 -39.5 -4.5 21.7 12.7 151 151 A A H X S+ 0 0 42 -4,-1.6 4,-0.6 -5,-0.2 -1,-0.2 0.847 107.9 52.0 -72.7 -34.2 -5.4 24.2 9.9 152 152 A S H X S+ 0 0 7 -4,-1.8 4,-0.6 1,-0.2 3,-0.4 0.836 110.1 49.3 -63.5 -36.9 -2.1 25.9 10.5 153 153 A L H >< S+ 0 0 0 -4,-1.3 3,-0.7 1,-0.2 -2,-0.2 0.838 102.5 61.1 -72.0 -33.0 -0.3 22.6 10.1 154 154 A S H 3< S+ 0 0 17 -4,-1.9 3,-0.5 1,-0.2 -1,-0.2 0.692 98.0 60.6 -68.9 -18.2 -2.2 21.8 6.9 155 155 A K H 3< S+ 0 0 104 -4,-0.6 -1,-0.2 -3,-0.4 -2,-0.2 0.783 85.8 73.3 -73.6 -33.2 -0.6 24.9 5.3 156 156 A L S << S+ 0 0 0 -3,-0.7 2,-0.3 -4,-0.6 -1,-0.2 0.509 106.5 25.3 -69.4 -4.6 3.1 23.8 5.7 157 157 A G - 0 0 2 -3,-0.5 -139,-0.2 -4,-0.2 3,-0.1 -0.971 56.0-142.4-148.7 167.6 2.7 21.2 2.9 158 158 A D S S+ 0 0 64 -141,-2.7 24,-0.4 -2,-0.3 2,-0.3 0.639 99.4 26.9 -91.0 -30.5 0.8 20.2 -0.3 159 159 A V E S-d 18 0B 2 -142,-1.8 -140,-2.3 22,-0.1 2,-0.3 -0.973 78.2-136.3-134.3 148.1 0.9 16.5 0.8 160 160 A Y E -dg 19 183B 6 22,-2.7 24,-2.1 -2,-0.3 2,-0.4 -0.795 14.7-171.8-107.5 145.9 1.2 14.8 4.2 161 161 A V E -dg 20 184B 0 -142,-2.5 -140,-2.1 -2,-0.3 2,-0.7 -0.984 10.2-159.6-135.8 129.5 3.4 11.9 5.4 162 162 A N E +dg 21 185B 0 22,-2.8 24,-1.9 -2,-0.4 -140,-0.2 -0.894 28.1 152.7-105.1 103.4 3.3 10.0 8.6 163 163 A D + 0 0 1 -142,-2.7 2,-1.4 -2,-0.7 -140,-0.4 0.104 40.4 118.2-102.1 18.9 6.6 8.2 9.3 164 164 A A > + 0 0 0 -143,-0.4 3,-0.6 -142,-0.2 4,-0.4 -0.578 22.5 151.7 -93.2 77.3 5.9 8.4 13.1 165 165 A F G > + 0 0 0 -2,-1.4 3,-1.6 1,-0.2 4,-0.3 0.924 68.2 61.0 -76.4 -40.9 5.6 4.8 14.2 166 166 A G G 3 S+ 0 0 5 1,-0.3 219,-0.3 -3,-0.3 -1,-0.2 0.632 115.1 36.5 -59.1 -13.5 6.9 5.5 17.8 167 167 A T G X S+ 0 0 2 -3,-0.6 3,-2.8 1,-0.1 -1,-0.3 0.359 81.4 112.4-117.1 -0.4 3.8 7.8 18.2 168 168 A A T < S+ 0 0 0 -3,-1.6 229,-2.3 -4,-0.4 230,-0.4 0.588 70.5 64.1 -55.3 -16.1 1.2 5.8 16.2 169 169 A H T 3 S+ 0 0 23 -4,-0.3 2,-0.6 226,-0.2 -1,-0.3 0.543 86.2 91.6 -84.5 -2.0 -0.8 5.0 19.3 170 170 A R < - 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