==== 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 2WZD . 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) . 17536.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 298 73.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 51 12.6 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 . 29 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 50 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 122 30.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.5 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 5 0 0 2 1 1 0 3 1 1 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 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 37 0, 0.0 3,-1.5 0, 0.0 174,-0.1 0.000 360.0 360.0 360.0 26.1 14.7 -5.8 -19.9 2 3 A S T 3 + 0 0 121 1,-0.3 4,-0.1 3,-0.0 404,-0.0 0.836 360.0 42.4 -58.3 -33.5 17.5 -8.3 -20.7 3 4 A N T 3 S+ 0 0 100 403,-0.1 403,-2.3 2,-0.1 2,-0.3 0.384 107.9 75.5 -94.8 -0.3 19.9 -5.8 -19.2 4 5 A K B < S-A 405 0A 13 -3,-1.5 401,-0.2 401,-0.3 2,-0.2 -0.870 84.9-105.2-118.7 146.7 17.8 -4.8 -16.2 5 6 A L - 0 0 23 399,-2.5 170,-2.7 -2,-0.3 2,-0.3 -0.492 41.2-167.5 -60.5 133.7 16.9 -6.5 -12.9 6 7 A T B > -b 175 0B 10 168,-0.3 3,-2.2 -2,-0.2 170,-0.2 -0.840 34.6-104.4-127.1 163.6 13.3 -7.8 -12.9 7 8 A L G > S+ 0 0 0 168,-2.5 3,-1.6 1,-0.3 169,-0.1 0.787 113.3 67.8 -61.5 -28.6 11.1 -9.0 -10.2 8 9 A D G 3 S+ 0 0 75 1,-0.3 -1,-0.3 167,-0.2 168,-0.1 0.662 109.9 38.0 -63.4 -19.1 11.5 -12.7 -11.1 9 10 A K G < S+ 0 0 153 -3,-2.2 2,-0.6 2,-0.1 -1,-0.3 0.214 92.8 105.9-118.0 13.9 15.1 -12.4 -10.0 10 11 A L < - 0 0 10 -3,-1.6 2,-0.6 -4,-0.1 139,-0.0 -0.856 67.2-136.1 -98.7 122.1 14.6 -10.1 -7.0 11 12 A D + 0 0 101 -2,-0.6 -2,-0.1 1,-0.2 -3,-0.0 -0.642 33.6 164.9 -75.8 113.1 14.9 -11.7 -3.5 12 13 A V > + 0 0 2 -2,-0.6 3,-2.3 39,-0.2 42,-0.4 0.440 24.4 130.1-109.0 0.1 12.0 -10.3 -1.6 13 14 A K T 3 S- 0 0 163 1,-0.3 40,-0.2 40,-0.1 39,-0.2 -0.373 89.9 -5.1 -62.8 121.1 11.9 -12.8 1.4 14 15 A G T 3 S+ 0 0 41 38,-2.6 2,-0.3 1,-0.3 -1,-0.3 0.490 109.7 125.9 76.5 4.4 11.8 -10.7 4.6 15 16 A K < - 0 0 64 -3,-2.3 39,-2.1 37,-0.1 40,-1.0 -0.750 63.1-127.7 -99.8 143.7 12.2 -7.5 2.6 16 17 A R E -c 55 0B 28 -2,-0.3 132,-2.9 38,-0.2 133,-1.8 -0.741 29.8-152.1 -77.5 127.8 10.1 -4.4 2.6 17 18 A V E -cd 56 149B 0 38,-2.5 40,-2.8 -2,-0.5 2,-0.5 -0.914 10.4-163.2-106.1 125.7 9.2 -3.6 -1.0 18 19 A V E -cd 57 150B 0 131,-2.6 133,-2.2 -2,-0.5 2,-0.5 -0.939 19.7-169.8-104.5 124.0 8.5 -0.0 -2.1 19 20 A M E -cd 58 151B 0 38,-3.2 40,-2.2 -2,-0.5 2,-0.5 -0.967 20.7-147.3-126.8 122.8 6.6 -0.2 -5.5 20 21 A R E +cd 59 152B 0 131,-2.2 133,-3.1 -2,-0.5 134,-0.5 -0.732 29.9 174.4 -81.6 125.2 5.8 2.5 -8.0 21 22 A V - 0 0 0 38,-2.5 2,-0.9 -2,-0.5 40,-0.3 -0.869 37.6-120.1-123.7 158.4 2.5 1.7 -9.7 22 23 A D + 0 0 11 131,-0.4 38,-0.1 -2,-0.3 19,-0.1 -0.853 44.7 154.9 -99.1 94.5 0.4 3.6 -12.2 23 24 A F + 0 0 0 -2,-0.9 2,-2.1 38,-0.3 -1,-0.1 -0.040 22.1 132.9-107.4 30.4 -2.9 3.9 -10.3 24 25 A N + 0 0 24 38,-0.1 38,-0.1 13,-0.1 339,-0.1 -0.528 38.9 174.6 -78.2 75.4 -3.9 7.0 -12.2 25 26 A V - 0 0 5 -2,-2.1 10,-0.1 1,-0.1 2,-0.1 -0.490 35.6 -99.9 -88.6 150.6 -7.4 5.6 -12.8 26 27 A P - 0 0 15 0, 0.0 7,-2.2 0, 0.0 8,-0.7 -0.444 37.9-164.7 -71.3 144.2 -10.3 7.4 -14.5 27 28 A M E +H 32 0C 65 5,-0.3 2,-0.3 6,-0.1 5,-0.2 -0.978 11.3 177.8-127.3 137.4 -12.9 8.9 -12.1 28 29 A K E > S-H 31 0C 66 3,-2.2 3,-2.1 -2,-0.4 0, 0.0 -0.981 79.4 -4.4-141.5 137.6 -16.5 10.1 -12.9 29 30 A N T 3 S- 0 0 127 -2,-0.3 3,-0.1 1,-0.3 -1,-0.0 0.845 129.7 -63.8 44.7 36.3 -18.9 11.4 -10.4 30 31 A N T 3 S+ 0 0 145 1,-0.2 2,-0.3 43,-0.1 -1,-0.3 0.290 113.1 111.7 74.5 -2.6 -16.1 10.4 -7.8 31 32 A Q E < S-H 28 0C 143 -3,-2.1 -3,-2.2 1,-0.0 2,-0.3 -0.711 78.9-106.5 -97.1 150.7 -16.3 6.7 -8.6 32 33 A I E -H 27 0C 41 -2,-0.3 -5,-0.3 -5,-0.2 3,-0.2 -0.605 30.7-167.4 -71.0 125.7 -13.5 4.7 -10.3 33 34 A T S S+ 0 0 63 -7,-2.2 2,-0.3 -2,-0.3 -6,-0.1 0.608 72.7 20.9 -94.7 -13.5 -14.8 4.1 -13.8 34 35 A N - 0 0 12 -8,-0.7 3,-0.4 1,-0.0 -1,-0.3 -0.876 52.3-170.0-155.6 119.2 -12.2 1.5 -14.8 35 36 A N >> + 0 0 32 -2,-0.3 4,-2.7 1,-0.2 3,-0.9 0.311 55.3 116.8 -90.9 10.4 -10.0 -0.6 -12.5 36 37 A Q H 3> S+ 0 0 23 1,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.851 75.7 47.3 -41.2 -52.2 -7.8 -1.8 -15.5 37 38 A R H 3> S+ 0 0 22 -3,-0.4 4,-0.6 2,-0.2 -1,-0.3 0.798 113.7 47.6 -70.0 -31.3 -4.6 -0.1 -14.1 38 39 A I H X> S+ 0 0 0 -3,-0.9 3,-1.3 2,-0.2 4,-0.6 0.946 112.3 48.0 -71.5 -51.4 -5.1 -1.5 -10.6 39 40 A K H >< S+ 0 0 98 -4,-2.7 3,-1.1 1,-0.3 -2,-0.2 0.854 104.9 62.6 -54.8 -38.7 -5.9 -5.0 -11.7 40 41 A A H 3< S+ 0 0 24 -4,-2.1 4,-0.3 -5,-0.3 -1,-0.3 0.765 102.4 48.8 -63.0 -25.2 -2.8 -4.9 -14.0 41 42 A A H S+ 0 0 71 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.939 110.1 42.6 -58.4 -40.6 0.5 -10.0 -10.4 44 45 A S H > S+ 0 0 0 -3,-0.3 4,-2.1 -4,-0.3 -2,-0.2 0.904 116.2 48.8 -69.0 -40.2 3.6 -8.2 -9.1 45 46 A I H X S+ 0 0 0 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.954 113.6 45.7 -64.1 -49.0 2.0 -7.3 -5.7 46 47 A K H X S+ 0 0 65 -4,-3.2 4,-3.2 1,-0.2 5,-0.2 0.877 109.2 55.9 -59.4 -38.8 0.8 -10.9 -5.2 47 48 A F H X S+ 0 0 53 -4,-2.1 4,-1.8 -5,-0.3 -1,-0.2 0.920 107.7 49.4 -62.9 -44.0 4.2 -12.3 -6.3 48 49 A C H <>S+ 0 0 0 -4,-2.1 5,-2.7 1,-0.2 -1,-0.2 0.942 115.2 42.8 -61.2 -44.9 5.9 -10.2 -3.6 49 50 A L H ><5S+ 0 0 23 -4,-2.2 3,-1.6 1,-0.2 -2,-0.2 0.933 113.4 51.9 -68.3 -41.0 3.5 -11.3 -0.9 50 51 A D H 3<5S+ 0 0 119 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.791 109.0 51.6 -64.5 -29.6 3.6 -15.0 -2.0 51 52 A N T 3<5S- 0 0 82 -4,-1.8 -1,-0.3 -5,-0.2 -39,-0.2 0.167 129.0 -90.7-100.8 20.2 7.4 -15.0 -1.9 52 53 A G T < 5 + 0 0 35 -3,-1.6 -38,-2.6 1,-0.2 -3,-0.2 0.621 58.5 171.9 92.0 16.1 7.6 -13.6 1.6 53 54 A A < - 0 0 5 -5,-2.7 59,-0.5 -40,-0.2 -1,-0.2 -0.253 30.5-143.3 -52.4 135.8 7.8 -9.8 1.4 54 55 A K S S- 0 0 69 -39,-2.1 58,-1.4 -42,-0.4 59,-1.3 0.879 79.3 -13.4 -66.5 -41.6 7.5 -8.2 4.8 55 56 A S E -ce 16 113B 0 -40,-1.0 -38,-2.5 57,-0.2 2,-0.4 -0.979 53.1-143.0-152.5 160.7 5.5 -5.4 3.2 56 57 A V E -ce 17 114B 0 57,-2.5 59,-2.8 -2,-0.3 2,-0.6 -0.964 16.7-166.6-129.2 116.0 4.5 -3.8 -0.1 57 58 A V E -ce 18 115B 0 -40,-2.8 -38,-3.2 -2,-0.4 2,-0.4 -0.926 12.3-155.9-102.0 119.2 4.2 -0.0 -0.0 58 59 A L E -ce 19 116B 0 57,-3.6 59,-2.5 -2,-0.6 2,-0.4 -0.743 12.2-176.6-102.2 135.1 2.4 1.2 -3.2 59 60 A M E +c 20 0B 0 -40,-2.2 -38,-2.5 -2,-0.4 2,-0.3 -0.996 12.7 142.6-137.3 140.7 2.9 4.7 -4.6 60 61 A S - 0 0 0 -2,-0.4 60,-2.4 57,-0.2 2,-0.2 -0.965 39.1-113.5-155.5 168.5 1.3 6.6 -7.5 61 62 A H - 0 0 6 -40,-0.3 2,-0.3 -2,-0.3 -38,-0.3 -0.674 19.3-154.8 -98.7 167.9 0.0 9.8 -8.8 62 63 A L - 0 0 5 -2,-0.2 -38,-0.1 1,-0.2 59,-0.0 -0.937 57.5 -39.3-142.2 118.3 -3.6 10.6 -9.6 63 64 A G S S- 0 0 17 -2,-0.3 -1,-0.2 1,-0.2 3,-0.1 -0.198 89.1 -59.7 66.2-157.7 -4.4 13.3 -12.1 64 65 A R + 0 0 110 1,-0.1 -1,-0.2 -3,-0.1 58,-0.0 -0.607 58.4 156.9-128.4 68.7 -2.4 16.6 -12.3 65 66 A P > - 0 0 4 0, 0.0 3,-0.8 0, 0.0 -1,-0.1 0.557 48.1-134.9 -75.1 -7.6 -2.8 18.4 -9.0 66 67 A D T 3 - 0 0 81 1,-0.2 56,-0.1 -3,-0.1 58,-0.1 0.754 61.0 -50.6 66.1 31.4 0.4 20.3 -9.8 67 68 A G T 3 S+ 0 0 17 54,-2.1 57,-0.7 1,-0.3 -1,-0.2 0.665 110.2 106.2 87.4 16.2 2.2 20.1 -6.4 68 69 A V S < S- 0 0 85 -3,-0.8 2,-0.3 53,-0.4 -1,-0.3 -0.980 79.2-103.6-121.9 140.7 -0.5 21.2 -4.1 69 70 A P + 0 0 89 0, 0.0 3,-0.1 0, 0.0 6,-0.1 -0.498 43.3 168.1 -64.3 124.7 -2.5 18.9 -1.8 70 71 A M >> + 0 0 49 -2,-0.3 4,-3.3 4,-0.1 3,-1.2 -0.481 11.7 153.3-133.2 60.3 -5.9 18.3 -3.3 71 72 A P H 3> S+ 0 0 75 0, 0.0 4,-0.6 0, 0.0 6,-0.1 0.723 71.9 63.8 -66.2 -20.2 -7.4 15.4 -1.3 72 73 A D H 34 S+ 0 0 140 2,-0.1 -2,-0.0 1,-0.1 0, 0.0 0.844 122.2 16.2 -66.6 -33.5 -10.9 16.7 -2.1 73 74 A K H <4 S+ 0 0 125 -3,-1.2 -1,-0.1 1,-0.0 -43,-0.1 0.719 135.4 29.1-114.2 -32.7 -10.4 16.1 -5.8 74 75 A Y H < S+ 0 0 66 -4,-3.3 2,-0.2 -11,-0.0 45,-0.2 -0.091 73.4 143.4-132.5 34.8 -7.4 13.8 -6.4 75 76 A S < - 0 0 17 -4,-0.6 4,-0.1 -5,-0.2 43,-0.1 -0.558 44.4-146.1 -75.6 142.7 -7.0 11.5 -3.4 76 77 A L S >> S+ 0 0 0 -2,-0.2 4,-1.4 1,-0.2 3,-1.3 0.425 72.5 106.9 -81.4 0.6 -6.0 7.9 -3.9 77 78 A E H 3> S+ 0 0 115 1,-0.3 4,-1.5 2,-0.2 3,-0.4 0.882 74.3 53.8 -51.2 -42.2 -8.2 6.7 -1.0 78 79 A P H 3> S+ 0 0 51 0, 0.0 4,-1.8 0, 0.0 -1,-0.3 0.794 103.8 57.5 -62.2 -29.5 -10.8 5.1 -3.3 79 80 A V H <> S+ 0 0 0 -3,-1.3 4,-3.0 2,-0.2 -2,-0.2 0.882 100.7 56.6 -67.5 -38.4 -8.1 3.0 -5.0 80 81 A A H X S+ 0 0 5 -4,-1.4 4,-1.6 -3,-0.4 -1,-0.2 0.931 107.5 49.1 -59.8 -42.8 -7.1 1.5 -1.6 81 82 A V H X S+ 0 0 92 -4,-1.5 4,-0.8 1,-0.2 -1,-0.2 0.918 113.3 45.5 -61.3 -44.9 -10.6 0.3 -1.3 82 83 A E H X S+ 0 0 54 -4,-1.8 4,-1.5 1,-0.2 3,-0.4 0.873 105.2 60.5 -67.5 -37.9 -10.7 -1.2 -4.8 83 84 A L H X S+ 0 0 0 -4,-3.0 4,-1.7 1,-0.2 6,-0.2 0.909 97.4 62.0 -59.3 -41.0 -7.2 -2.9 -4.4 84 85 A K H X>S+ 0 0 76 -4,-1.6 4,-1.7 1,-0.2 5,-1.0 0.882 105.0 45.4 -47.4 -49.6 -8.6 -4.9 -1.4 85 86 A S H <5S+ 0 0 96 -4,-0.8 -1,-0.2 -3,-0.4 -2,-0.2 0.871 114.1 48.2 -65.2 -36.7 -11.2 -6.7 -3.6 86 87 A L H <5S+ 0 0 47 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.731 117.3 41.1 -79.2 -23.5 -8.9 -7.5 -6.4 87 88 A L H <5S- 0 0 16 -4,-1.7 -1,-0.2 2,-0.3 -2,-0.2 0.742 95.7-129.6 -93.6 -31.9 -6.1 -8.8 -4.1 88 89 A G T <5S+ 0 0 67 -4,-1.7 2,-0.3 1,-0.3 -3,-0.2 0.737 81.4 90.9 75.3 27.1 -8.1 -10.9 -1.7 89 90 A K S S- 0 0 13 -2,-0.3 4,-3.7 -3,-0.1 3,-0.3 -0.470 87.6 -16.9-178.2-123.8 7.8 11.9 5.9 100 101 A P H > S+ 0 0 114 0, 0.0 4,-1.9 0, 0.0 5,-0.1 0.727 127.6 36.8 -42.4 -53.2 7.8 11.3 9.7 101 102 A E H > S+ 0 0 154 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.917 122.0 45.1 -66.9 -46.6 4.4 9.7 10.1 102 103 A V H > S+ 0 0 5 -3,-0.3 4,-1.9 2,-0.2 5,-0.2 0.935 112.6 52.8 -60.4 -45.3 4.6 7.8 6.8 103 104 A E H X S+ 0 0 71 -4,-3.7 4,-1.0 1,-0.2 -2,-0.2 0.908 109.2 49.3 -59.3 -40.7 8.1 6.7 7.6 104 105 A K H X S+ 0 0 174 -4,-1.9 4,-0.6 -5,-0.3 3,-0.4 0.893 109.6 51.1 -63.5 -44.0 7.0 5.4 11.0 105 106 A A H < S+ 0 0 39 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.798 118.3 38.3 -63.5 -30.8 4.1 3.4 9.4 106 107 A C H < S+ 0 0 0 -4,-1.9 -1,-0.2 -5,-0.1 -2,-0.2 0.504 95.9 84.7 -97.1 -6.6 6.4 1.8 6.8 107 108 A A H < S+ 0 0 55 -4,-1.0 -2,-0.1 -3,-0.4 -1,-0.1 0.880 110.8 0.8 -67.2 -43.8 9.5 1.2 9.1 108 109 A N S < S- 0 0 131 -4,-0.6 -1,-0.2 -3,-0.1 -2,-0.1 -0.456 82.1-178.3-147.8 66.9 8.6 -2.1 10.6 109 110 A P - 0 0 18 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 -0.277 35.8 -95.3 -75.0 155.5 5.3 -3.3 9.4 110 111 A A > - 0 0 72 1,-0.1 3,-1.7 2,-0.1 2,-0.0 -0.293 64.2 -75.0 -56.8 150.9 3.5 -6.5 10.4 111 112 A A T 3 S+ 0 0 96 1,-0.3 -57,-0.2 -3,-0.1 -56,-0.2 -0.286 117.7 12.4 -59.8 129.3 4.2 -9.4 8.1 112 113 A G T 3 S+ 0 0 35 -58,-1.4 -1,-0.3 -59,-0.5 -57,-0.2 0.551 85.7 164.6 83.7 11.2 2.4 -9.2 4.7 113 114 A S E < -e 55 0B 33 -3,-1.7 -57,-2.5 -59,-1.3 2,-0.5 -0.369 23.7-158.0 -65.0 132.7 1.3 -5.6 5.1 114 115 A V E -e 56 0B 6 -24,-0.4 -22,-2.6 -59,-0.2 2,-0.4 -0.971 14.2-176.5-111.5 129.0 0.0 -3.8 2.0 115 116 A I E -ef 57 92B 5 -59,-2.8 -57,-3.6 -2,-0.5 2,-0.5 -0.994 13.2-161.9-130.7 130.4 0.2 0.0 2.3 116 117 A L E -ef 58 93B 0 -24,-2.8 -22,-2.3 -2,-0.4 -57,-0.2 -0.973 14.6-150.4-115.4 123.3 -0.9 2.7 -0.3 117 118 A L - 0 0 0 -59,-2.5 -20,-0.2 -2,-0.5 -57,-0.2 -0.454 25.2 -94.4 -80.9 165.2 0.4 6.2 0.0 118 119 A E - 0 0 7 -22,-1.7 -58,-0.2 1,-0.2 -1,-0.1 -0.265 65.4 -54.2 -75.6 161.7 -1.3 9.3 -1.0 119 120 A N > - 0 0 1 -45,-0.2 3,-1.5 1,-0.1 -58,-0.2 -0.041 43.0-149.6 -33.4 110.8 -1.0 11.1 -4.3 120 121 A L G > S+ 0 0 0 -60,-2.4 3,-1.3 1,-0.3 6,-0.3 0.785 92.0 66.4 -57.0 -32.0 2.7 11.8 -5.0 121 122 A R G 3 S+ 0 0 7 1,-0.3 -54,-2.1 -61,-0.2 -53,-0.4 0.395 74.0 85.3 -80.1 4.2 1.8 14.9 -7.0 122 123 A F G < S+ 0 0 13 -3,-1.5 2,-0.4 -55,-0.2 -1,-0.3 0.563 88.7 67.4 -69.7 -13.4 0.5 16.7 -3.9 123 124 A H S X> S- 0 0 39 -3,-1.3 3,-1.8 -55,-0.2 4,-0.6 -0.964 78.9-145.1-109.6 129.4 4.2 17.5 -3.6 124 125 A V H 3> S+ 0 0 42 -57,-0.7 4,-0.8 -2,-0.4 5,-0.3 0.773 96.8 70.7 -58.3 -26.5 6.0 19.8 -6.1 125 126 A E H 34 S+ 0 0 32 3,-0.2 38,-0.3 1,-0.2 -1,-0.3 0.641 85.5 66.2 -70.0 -18.9 9.1 17.6 -5.6 126 127 A E H <4 S+ 0 0 1 -3,-1.8 37,-2.5 -6,-0.3 -1,-0.2 0.987 126.0 9.7 -67.5 -57.7 7.6 14.6 -7.5 127 128 A E H < S- 0 0 50 -4,-0.6 -2,-0.2 2,-0.2 -1,-0.2 0.568 103.3-141.8 -70.1 -15.4 7.5 16.4 -10.9 128 129 A G < + 0 0 21 -4,-0.8 2,-0.3 -5,-0.1 -3,-0.2 0.307 70.0 61.0 -85.7 88.2 9.3 18.7 -9.4 129 130 A K 0 0 146 -5,-0.3 -2,-0.2 1,-0.0 -1,-0.1 -0.892 360.0 360.0-151.1 163.4 7.8 21.8 -10.9 130 131 A G 0 0 62 -2,-0.3 -5,-0.0 -63,-0.1 -6,-0.0 0.319 360.0 360.0-175.9 360.0 4.3 22.9 -10.6 131 ! 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 0 110 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 0.2 14.2 23.4 -4.9 133 143 A P H > + 0 0 103 0, 0.0 4,-2.5 0, 0.0 5,-0.1 0.889 360.0 48.3 -57.1 -41.8 17.0 20.9 -5.5 134 144 A A H > S+ 0 0 64 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.870 112.1 49.4 -64.8 -39.2 17.5 20.2 -1.8 135 145 A K H > S+ 0 0 131 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.877 109.9 51.5 -66.3 -39.4 13.8 19.7 -1.3 136 146 A I H X S+ 0 0 37 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.947 111.1 48.4 -61.4 -46.6 13.8 17.3 -4.3 137 147 A E H X S+ 0 0 123 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.904 111.4 49.5 -55.8 -47.1 16.7 15.3 -2.7 138 148 A A H X S+ 0 0 49 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.881 109.9 51.7 -66.4 -35.4 14.8 15.2 0.7 139 149 A F H X S+ 0 0 8 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.936 111.4 46.0 -63.1 -48.4 11.7 14.0 -1.0 140 150 A R H X S+ 0 0 80 -4,-2.4 4,-1.9 1,-0.2 29,-0.4 0.898 110.3 54.5 -62.7 -40.1 13.6 11.2 -2.8 141 151 A A H X S+ 0 0 31 -4,-2.5 4,-1.1 2,-0.2 -2,-0.2 0.900 108.0 50.3 -60.9 -42.7 15.4 10.3 0.5 142 152 A S H >< S+ 0 0 10 -4,-2.2 3,-0.7 1,-0.2 4,-0.5 0.939 110.5 47.3 -61.6 -48.4 12.0 9.9 2.3 143 153 A L H >< S+ 0 0 0 -4,-2.1 3,-1.4 1,-0.2 4,-0.3 0.871 107.2 59.2 -60.6 -36.0 10.5 7.6 -0.3 144 154 A S H >< S+ 0 0 1 -4,-1.9 3,-0.8 1,-0.3 -1,-0.2 0.798 98.1 59.3 -69.6 -25.2 13.7 5.5 -0.3 145 155 A K T << S+ 0 0 107 -4,-1.1 -1,-0.3 -3,-0.7 -2,-0.2 0.674 87.6 76.5 -72.1 -14.7 13.2 4.8 3.4 146 156 A L T < S+ 0 0 0 -3,-1.4 2,-0.3 -4,-0.5 -1,-0.2 0.603 104.3 18.9 -81.6 -11.3 9.8 3.1 2.9 147 157 A G < - 0 0 1 -3,-0.8 -130,-0.2 -4,-0.3 3,-0.1 -0.945 60.3-135.2-143.7 171.8 11.3 -0.1 1.5 148 158 A D S S+ 0 0 61 -132,-2.9 24,-0.4 -2,-0.3 2,-0.3 0.659 96.9 23.9 -94.6 -28.3 14.5 -2.2 1.4 149 159 A V E S-d 17 0B 3 -133,-1.8 -131,-2.6 22,-0.1 2,-0.4 -0.936 78.2-134.1-133.9 158.9 14.1 -2.9 -2.3 150 160 A Y E -dg 18 173B 6 22,-2.4 24,-3.0 -2,-0.3 2,-0.4 -0.938 14.0-172.6-124.0 136.4 12.3 -1.1 -5.1 151 161 A V E -dg 19 174B 0 -133,-2.2 -131,-2.2 -2,-0.4 2,-0.6 -0.993 9.2-157.5-122.0 136.3 10.0 -2.3 -7.9 152 162 A N E +dg 20 175B 0 22,-2.8 24,-2.5 -2,-0.4 27,-0.2 -0.937 28.2 152.9-112.3 111.1 8.7 -0.2 -10.7 153 163 A D + 0 0 1 -133,-3.1 2,-1.8 -2,-0.6 -131,-0.4 0.171 36.8 117.3-113.0 15.9 5.5 -1.6 -12.3 154 164 A A >> + 0 0 0 -134,-0.5 3,-1.5 -133,-0.2 4,-0.5 -0.414 25.8 157.9 -89.0 63.2 4.3 1.8 -13.4 155 165 A F G >4 S+ 0 0 0 -2,-1.8 3,-1.7 1,-0.3 4,-0.3 0.916 72.0 57.7 -49.5 -47.3 4.3 1.2 -17.2 156 166 A G G 34 S+ 0 0 5 1,-0.3 231,-0.4 -3,-0.3 229,-0.3 0.676 114.6 37.3 -63.0 -15.9 1.7 4.0 -17.7 157 167 A T G X4 S+ 0 0 2 -3,-1.5 3,-2.5 1,-0.1 -1,-0.3 0.313 83.6 108.8-110.2 5.5 4.0 6.5 -16.1 158 168 A A T << S+ 0 0 0 -3,-1.7 241,-2.7 -4,-0.5 242,-0.4 0.679 70.4 63.5 -66.3 -18.1 7.3 5.1 -17.5 159 169 A H T 3 S+ 0 0 25 -4,-0.3 2,-0.6 238,-0.2 -1,-0.3 0.560 87.2 90.0 -76.4 -5.5 7.8 8.1 -19.8 160 170 A R < - 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0 0 92 -5,-1.6 2,-0.6 1,-0.0 -1,-0.2 -0.471 56.7-120.6 -90.3 156.0 13.1 5.9 -26.9 396 406 A V - 0 0 103 -2,-0.2 -1,-0.0 -237,-0.0 -5,-0.0 -0.864 42.2-122.0 -82.8 121.8 14.2 4.1 -23.8 397 407 A L >> - 0 0 2 -2,-0.6 4,-2.7 1,-0.1 3,-1.4 -0.468 11.2-127.4 -70.0 138.4 11.7 5.2 -21.2 398 408 A P H 3> S+ 0 0 38 0, 0.0 4,-1.8 0, 0.0 -239,-0.2 0.842 108.2 56.7 -53.1 -40.9 13.2 7.0 -18.1 399 409 A G H 34 S+ 0 0 1 -241,-2.7 -240,-0.1 1,-0.2 -245,-0.1 0.764 112.8 42.3 -65.3 -26.0 11.4 4.6 -15.6 400 410 A V H X4 S+ 0 0 15 -3,-1.4 3,-1.8 -242,-0.4 -1,-0.2 0.868 110.0 55.8 -79.5 -45.9 13.1 1.7 -17.4 401 411 A D H 3< S+ 0 0 106 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.1 0.835 103.0 57.7 -53.7 -34.7 16.5 3.4 -17.7 402 412 A A T 3< S+ 0 0 28 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.1 0.517 84.2 105.9 -78.3 -8.8 16.6 4.0 -13.9 403 413 A L S < S- 0 0 6 -3,-1.8 -229,-0.2 1,-0.1 2,-0.1 -0.316 85.3 -86.2 -69.0 159.2 16.3 0.3 -13.1 404 414 A S - 0 0 19 -231,-2.6 -399,-2.5 -399,-0.1 2,-0.2 -0.383 42.4-123.4 -62.9 138.8 19.3 -1.6 -11.8 405 415 A N B A 4 0A 117 -401,-0.2 -401,-0.3 1,-0.2 -1,-0.1 -0.597 360.0 360.0 -78.5 145.7 21.6 -3.1 -14.4 406 416 A I 0 0 152 -403,-2.3 -1,-0.2 -2,-0.2 -402,-0.1 0.856 360.0 360.0 -74.5 360.0 22.2 -6.9 -14.4