==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 03-FEB-04 1VJD . COMPND 2 MOLECULE: PHOSPHOGLYCERATE KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SUS SCROFA; . AUTHOR B.FLACHNER,Z.KOVARI,A.VARGA,Z.GUGOLYA,F.VONDERVISZT,G.NARAY- . 416 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17459.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 307 73.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 50 12.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 20 4.8 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 . 1 0.2 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 . 36 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 49 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 121 29.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 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 5 0 0 1 2 2 1 2 0 1 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 2 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 . 2 0 1 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 1 A S > 0 0 88 0, 0.0 3,-1.3 0, 0.0 196,-0.0 0.000 360.0 360.0 360.0 119.2 -7.1 6.8 27.7 2 2 A L G > + 0 0 26 1,-0.2 3,-0.7 2,-0.1 195,-0.1 0.687 360.0 65.5 -69.8 -18.0 -3.8 5.1 26.9 3 3 A S G 3 S+ 0 0 61 1,-0.2 -1,-0.2 194,-0.1 191,-0.0 0.516 91.3 62.0 -83.5 -5.8 -2.4 6.7 30.0 4 4 A N G < S+ 0 0 91 -3,-1.3 412,-2.9 2,-0.1 -1,-0.2 0.241 76.1 113.8-105.1 14.5 -4.7 4.7 32.4 5 5 A K B < S-A 415 0A 23 -3,-0.7 410,-0.3 410,-0.2 2,-0.2 -0.558 75.1-101.6 -85.1 149.9 -3.4 1.2 31.5 6 6 A L - 0 0 19 408,-3.3 179,-3.4 177,-0.3 2,-0.3 -0.491 40.6-165.5 -71.5 136.8 -1.6 -0.9 34.0 7 7 A T B > -b 185 0B 16 177,-0.3 3,-1.9 -2,-0.2 179,-0.2 -0.869 33.1-103.2-123.1 158.4 2.2 -1.0 33.6 8 8 A L G > S+ 0 0 0 177,-2.5 3,-1.7 -2,-0.3 178,-0.1 0.763 114.9 60.3 -47.1 -39.8 4.9 -3.3 35.1 9 9 A D G 3 S+ 0 0 78 1,-0.3 -1,-0.3 3,-0.1 177,-0.1 0.765 105.6 49.4 -65.6 -23.1 6.2 -0.8 37.6 10 10 A K G < S+ 0 0 140 -3,-1.9 2,-0.5 2,-0.1 -1,-0.3 0.237 96.9 92.0 -98.4 13.2 2.8 -0.7 39.3 11 11 A L S < S- 0 0 15 -3,-1.7 2,-0.5 -4,-0.1 148,-0.0 -0.933 71.1-137.3-116.7 122.9 2.6 -4.5 39.4 12 12 A D + 0 0 115 -2,-0.5 -2,-0.1 1,-0.2 -3,-0.1 -0.622 30.7 163.9 -75.6 120.7 3.7 -6.7 42.3 13 13 A V > + 0 0 3 -2,-0.5 3,-2.8 39,-0.2 42,-0.4 0.373 20.7 139.0-118.1 0.7 5.7 -9.7 41.0 14 14 A K T 3 S- 0 0 143 1,-0.3 40,-0.2 40,-0.2 39,-0.2 -0.283 87.4 -6.9 -51.8 113.6 7.4 -10.8 44.2 15 15 A G T 3 S+ 0 0 36 38,-2.9 -1,-0.3 1,-0.3 2,-0.3 0.639 108.9 126.1 72.9 15.1 7.2 -14.6 44.2 16 16 A K < - 0 0 74 -3,-2.8 39,-2.4 37,-0.1 40,-1.2 -0.740 64.2-121.2-107.0 154.0 4.9 -14.7 41.1 17 17 A R E -c 56 0B 34 -2,-0.3 141,-2.6 38,-0.2 142,-1.6 -0.824 31.4-151.3 -90.4 127.7 5.3 -16.5 37.9 18 18 A V E -cd 57 159B 0 38,-2.8 40,-4.0 -2,-0.5 2,-0.7 -0.905 10.8-162.5-109.3 118.4 5.4 -14.0 35.0 19 19 A V E -cd 58 160B 0 140,-2.4 142,-2.1 -2,-0.6 2,-0.5 -0.888 20.9-172.1 -97.4 117.0 4.1 -14.9 31.6 20 20 A M E -cd 59 161B 0 38,-3.4 40,-2.4 -2,-0.7 2,-0.6 -0.953 19.9-151.5-120.6 126.7 5.5 -12.2 29.2 21 21 A R E +cd 60 162B 0 140,-2.5 142,-2.8 -2,-0.5 2,-0.3 -0.833 28.9 174.9 -94.1 121.2 4.8 -11.6 25.6 22 22 A V - 0 0 1 38,-2.4 2,-0.8 -2,-0.6 40,-0.3 -0.771 37.2-113.6-124.1 168.5 7.7 -10.0 23.9 23 23 A D + 0 0 17 140,-0.4 18,-0.1 -2,-0.3 19,-0.1 -0.835 47.1 149.6-106.2 91.6 8.7 -9.0 20.4 24 24 A F + 0 0 0 -2,-0.8 2,-2.8 38,-0.3 -1,-0.1 -0.028 21.3 133.4-109.6 27.0 11.6 -11.3 19.4 25 25 A N + 0 0 47 38,-0.1 38,-0.1 13,-0.1 -1,-0.1 -0.391 39.9 173.0 -76.0 66.3 10.7 -11.3 15.7 26 26 A V - 0 0 5 -2,-2.8 2,-0.2 1,-0.1 38,-0.1 -0.402 36.3 -99.0 -81.1 153.6 14.4 -10.6 14.8 27 27 A P - 0 0 61 0, 0.0 7,-1.8 0, 0.0 8,-0.8 -0.487 43.5-178.6 -72.6 136.0 16.0 -10.5 11.3 28 28 A M B -H 33 0C 58 5,-0.2 5,-0.2 -2,-0.2 3,-0.0 -0.990 29.9-161.7-137.8 145.4 17.8 -13.7 10.3 29 29 A K S S- 0 0 85 3,-1.4 4,-0.1 -2,-0.3 -1,-0.0 -0.036 73.4 -70.5-113.1 29.2 19.8 -14.7 7.2 30 30 A N S S+ 0 0 72 2,-0.3 3,-0.1 44,-0.1 44,-0.1 0.860 119.9 16.8 82.2 98.7 19.6 -18.5 7.9 31 31 A N S S+ 0 0 83 43,-0.2 2,-0.3 1,-0.1 43,-0.0 0.691 120.8 48.1 86.5 21.3 21.6 -19.8 10.9 32 32 A Q S S- 0 0 54 0, 0.0 -3,-1.4 0, 0.0 2,-0.5 -0.882 75.9-113.0 177.2 151.2 22.3 -16.4 12.6 33 33 A I B -H 28 0C 40 -2,-0.3 -5,-0.2 -5,-0.2 3,-0.2 -0.837 18.4-171.3 -97.8 127.6 20.7 -13.2 13.8 34 34 A T S S+ 0 0 99 -7,-1.8 2,-0.4 -2,-0.5 -6,-0.1 0.722 78.5 28.5 -88.9 -23.9 21.8 -10.0 12.0 35 35 A N + 0 0 80 -8,-0.8 3,-0.3 1,-0.1 -1,-0.3 -0.939 52.5 177.7-142.8 115.4 20.2 -7.6 14.3 36 36 A N > + 0 0 45 -2,-0.4 4,-2.4 1,-0.2 5,-0.2 0.086 50.8 114.9-102.1 21.5 19.6 -8.2 18.0 37 37 A Q H > S+ 0 0 63 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.923 74.6 52.0 -55.9 -47.9 18.1 -4.8 18.6 38 38 A R H > S+ 0 0 93 -3,-0.3 4,-0.8 1,-0.2 -1,-0.2 0.889 110.0 48.4 -57.1 -44.6 14.7 -6.3 19.5 39 39 A I H >> S+ 0 0 0 1,-0.2 3,-1.3 2,-0.2 4,-1.0 0.956 109.2 51.5 -62.9 -50.3 16.1 -8.7 22.0 40 40 A K H 3< S+ 0 0 112 -4,-2.4 -1,-0.2 1,-0.3 3,-0.2 0.809 103.7 62.8 -57.0 -26.5 18.2 -6.0 23.8 41 41 A A H 3< S+ 0 0 29 -4,-1.5 4,-0.3 -5,-0.2 -1,-0.3 0.787 100.0 50.4 -69.8 -29.6 15.0 -3.9 24.0 42 42 A A H XX S+ 0 0 2 -3,-1.3 4,-1.7 -4,-0.8 3,-1.2 0.731 85.3 90.5 -81.6 -23.8 13.1 -6.4 26.2 43 43 A I H 3X S+ 0 0 35 -4,-1.0 4,-3.1 1,-0.3 5,-0.4 0.842 79.5 57.2 -41.3 -52.0 15.9 -6.7 28.8 44 44 A P H 3> S+ 0 0 70 0, 0.0 4,-1.8 0, 0.0 -1,-0.3 0.879 108.8 46.9 -53.1 -39.1 14.7 -3.9 31.1 45 45 A S H <> S+ 0 0 1 -3,-1.2 4,-1.6 -4,-0.3 -2,-0.2 0.913 115.3 45.6 -69.5 -41.4 11.3 -5.6 31.5 46 46 A I H X S+ 0 0 0 -4,-1.7 4,-2.2 1,-0.2 5,-0.2 0.957 113.1 48.2 -66.3 -50.8 12.9 -9.0 32.2 47 47 A K H X S+ 0 0 27 -4,-3.1 4,-3.2 1,-0.2 5,-0.2 0.862 107.4 57.7 -58.1 -37.6 15.6 -7.7 34.6 48 48 A F H X S+ 0 0 46 -4,-1.8 4,-1.5 -5,-0.4 -1,-0.2 0.934 107.9 46.5 -58.4 -48.0 12.9 -5.7 36.5 49 49 A C H <>S+ 0 0 0 -4,-1.6 5,-2.4 2,-0.2 3,-0.2 0.938 116.2 43.8 -59.5 -51.0 10.9 -8.9 37.2 50 50 A L H ><5S+ 0 0 41 -4,-2.2 3,-1.3 1,-0.2 -2,-0.2 0.885 114.0 50.6 -64.1 -39.6 13.9 -10.9 38.3 51 51 A D H 3<5S+ 0 0 136 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.746 107.5 55.1 -70.9 -23.2 15.3 -8.0 40.4 52 52 A N T 3<5S- 0 0 78 -4,-1.5 -1,-0.3 -5,-0.2 -39,-0.2 0.121 126.1 -97.3 -98.2 23.7 11.9 -7.7 42.1 53 53 A G T < 5 + 0 0 35 -3,-1.3 -38,-2.9 1,-0.2 -3,-0.2 0.695 58.0 172.5 75.1 24.0 11.8 -11.3 43.2 54 54 A A < - 0 0 7 -5,-2.4 59,-0.5 -40,-0.2 -1,-0.2 -0.313 33.7-138.0 -62.7 147.2 9.7 -12.9 40.5 55 55 A K S S- 0 0 59 -39,-2.4 58,-1.6 -42,-0.4 59,-1.0 0.880 78.4 -20.1 -73.3 -37.8 9.6 -16.7 40.7 56 56 A S E -ce 17 114B 0 -40,-1.2 -38,-2.8 57,-0.2 2,-0.5 -0.990 51.4-136.8-164.5 161.8 10.0 -17.0 36.9 57 57 A V E -ce 18 115B 0 57,-1.9 59,-2.6 -2,-0.3 2,-0.7 -0.966 16.8-161.9-129.8 114.3 9.6 -15.2 33.6 58 58 A V E -ce 19 116B 0 -40,-4.0 -38,-3.4 -2,-0.5 2,-0.5 -0.865 11.1-156.1-101.3 113.3 8.1 -17.1 30.8 59 59 A L E +ce 20 117B 0 57,-3.7 59,-3.0 -2,-0.7 2,-0.4 -0.767 14.1 177.9 -94.1 126.5 8.8 -15.5 27.4 60 60 A M E +c 21 0B 0 -40,-2.4 -38,-2.4 -2,-0.5 2,-0.3 -0.982 13.7 140.6-127.4 140.9 6.6 -16.1 24.4 61 61 A S - 0 0 0 -2,-0.4 60,-2.1 57,-0.2 2,-0.3 -0.948 39.0-114.4-161.3 175.4 6.9 -14.5 21.0 62 62 A H - 0 0 10 -40,-0.3 2,-0.3 -2,-0.3 -38,-0.3 -0.815 18.3-160.8-119.2 164.4 6.6 -15.2 17.3 63 63 A L - 0 0 6 -2,-0.3 -38,-0.1 12,-0.1 14,-0.0 -0.970 54.4 -29.1-146.9 127.4 9.3 -15.3 14.5 64 64 A G S S- 0 0 21 -2,-0.3 3,-0.1 1,-0.2 -1,-0.1 -0.201 93.0 -60.6 65.2-155.5 8.7 -15.0 10.8 65 65 A R + 0 0 66 1,-0.1 -1,-0.2 -3,-0.1 -3,-0.0 -0.408 57.7 160.2-128.9 59.0 5.5 -16.2 9.1 66 66 A P > - 0 0 0 0, 0.0 3,-0.7 0, 0.0 66,-0.1 0.768 40.3-144.5 -47.9 -32.1 5.2 -19.9 9.8 67 67 A D T 3 - 0 0 55 1,-0.2 65,-2.9 -3,-0.1 56,-0.1 0.821 62.5 -46.5 68.7 33.3 1.4 -19.6 9.0 68 68 A G T 3 S+ 0 0 11 54,-1.6 57,-0.9 63,-0.2 -1,-0.2 0.388 114.8 93.5 96.6 -7.4 0.2 -22.1 11.5 69 69 A I S < S- 0 0 53 -3,-0.7 -1,-0.2 53,-0.2 2,-0.2 -0.933 82.8 -97.0-122.5 146.6 2.5 -25.1 11.0 70 70 A P + 0 0 93 0, 0.0 3,-0.1 0, 0.0 53,-0.1 -0.410 42.1 168.7 -61.3 124.8 5.7 -26.1 12.8 71 71 A M >> + 0 0 51 -2,-0.2 4,-3.3 1,-0.1 3,-1.3 -0.484 12.2 153.0-135.1 61.2 8.7 -24.9 10.8 72 72 A P H 3> S+ 0 0 67 0, 0.0 4,-0.8 0, 0.0 6,-0.1 0.805 70.3 64.7 -60.6 -32.5 11.6 -25.4 13.4 73 73 A D H 34 S+ 0 0 148 2,-0.1 -2,-0.0 1,-0.1 0, 0.0 0.744 121.7 17.3 -64.5 -23.5 14.0 -25.9 10.5 74 74 A K H <4 S+ 0 0 68 -3,-1.3 -43,-0.2 -44,-0.1 -44,-0.1 0.774 134.9 25.9-117.9 -44.3 13.4 -22.3 9.5 75 75 A Y H < S+ 0 0 78 -4,-3.3 45,-0.2 45,-0.0 2,-0.2 -0.113 74.5 140.0-120.3 40.2 11.7 -20.1 12.2 76 76 A S < - 0 0 15 -4,-0.8 4,-0.2 -5,-0.1 43,-0.1 -0.506 48.5-140.6 -80.1 150.6 12.7 -21.7 15.5 77 77 A L S > S+ 0 0 0 1,-0.2 4,-1.6 -2,-0.2 3,-0.5 0.310 74.6 106.5 -92.3 8.3 13.5 -19.3 18.4 78 78 A E H > S+ 0 0 117 1,-0.2 4,-1.5 2,-0.2 3,-0.3 0.896 76.6 52.9 -54.2 -45.5 16.4 -21.5 19.7 79 79 A P H > S+ 0 0 51 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.863 105.7 55.5 -59.2 -34.4 19.1 -19.1 18.3 80 80 A V H > S+ 0 0 0 -3,-0.5 4,-3.1 1,-0.2 -2,-0.2 0.880 102.2 56.7 -65.6 -37.1 17.3 -16.2 20.2 81 81 A A H X S+ 0 0 7 -4,-1.6 4,-1.8 -3,-0.3 -1,-0.2 0.903 108.5 46.3 -60.5 -43.0 17.6 -18.2 23.5 82 82 A V H X S+ 0 0 94 -4,-1.5 4,-1.4 2,-0.2 -1,-0.2 0.900 114.7 47.5 -66.0 -41.3 21.4 -18.4 23.0 83 83 A E H X S+ 0 0 55 -4,-2.0 4,-1.5 1,-0.2 -2,-0.2 0.878 110.5 52.1 -67.5 -39.0 21.6 -14.7 22.2 84 84 A L H X S+ 0 0 0 -4,-3.1 4,-2.8 1,-0.2 5,-0.3 0.865 104.4 56.7 -66.9 -36.5 19.4 -13.8 25.2 85 85 A K H X S+ 0 0 94 -4,-1.8 4,-2.5 1,-0.2 5,-0.4 0.905 106.5 49.2 -62.0 -42.3 21.6 -15.7 27.6 86 86 A S H < S+ 0 0 95 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.879 115.5 44.1 -66.1 -35.7 24.7 -13.8 26.5 87 87 A L H < S+ 0 0 55 -4,-1.5 -2,-0.2 1,-0.2 -1,-0.2 0.852 120.4 38.5 -77.4 -37.1 22.8 -10.5 27.0 88 88 A L H < S- 0 0 34 -4,-2.8 -2,-0.2 2,-0.2 -3,-0.2 0.763 94.7-135.5 -85.9 -28.4 21.1 -11.3 30.3 89 89 A G S < S+ 0 0 68 -4,-2.5 2,-0.3 1,-0.3 -3,-0.1 0.575 72.1 100.8 82.9 8.2 24.0 -13.2 31.9 90 90 A K S S- 0 0 56 -5,-0.4 -1,-0.3 -6,-0.3 -2,-0.2 -0.905 81.2 -97.3-126.0 154.4 21.6 -15.8 33.1 91 91 A D - 0 0 119 -2,-0.3 24,-0.5 -3,-0.1 2,-0.4 -0.366 34.5-152.3 -68.3 147.8 20.8 -19.3 31.8 92 92 A V - 0 0 25 22,-0.1 2,-0.6 -11,-0.1 24,-0.2 -0.988 5.2-145.1-127.8 122.5 17.7 -19.6 29.6 93 93 A L E -f 116 0B 86 22,-2.4 24,-2.6 -2,-0.4 2,-0.5 -0.778 16.8-156.9 -87.4 120.4 15.7 -22.7 29.3 94 94 A F E -f 117 0B 38 -2,-0.6 2,-0.4 22,-0.2 24,-0.2 -0.873 3.2-155.8-101.7 127.1 14.3 -23.1 25.8 95 95 A L - 0 0 28 22,-2.3 24,-0.3 -2,-0.5 8,-0.0 -0.849 18.5-134.7-104.3 138.2 11.2 -25.3 25.3 96 96 A K S S+ 0 0 192 -2,-0.4 2,-0.3 22,-0.1 -1,-0.1 0.472 88.8 27.6 -68.1 -2.4 10.4 -27.0 22.0 97 97 A D - 0 0 60 22,-0.1 22,-1.1 1,-0.0 -2,-0.1 -0.898 63.0-140.8-147.5 176.4 6.8 -25.9 22.3 98 98 A C S S+ 0 0 0 -2,-0.3 2,-0.3 20,-0.2 20,-0.1 0.469 83.0 34.6-120.8 -7.9 4.6 -23.1 23.8 99 99 A V S S+ 0 0 20 4,-0.0 4,-0.2 54,-0.0 3,-0.2 -0.941 75.3 71.4-143.0 162.8 1.6 -25.2 25.0 100 100 A G S > S- 0 0 20 -2,-0.3 4,-2.8 1,-0.1 5,-0.2 -0.446 84.5 -67.4 118.9 168.6 0.7 -28.6 26.4 101 101 A P H > S+ 0 0 94 0, 0.0 4,-2.0 0, 0.0 -1,-0.1 0.842 128.5 52.7 -63.4 -36.8 1.1 -30.7 29.6 102 102 A E H > S+ 0 0 157 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.929 114.2 42.0 -64.9 -46.4 4.9 -30.9 29.2 103 103 A V H > S+ 0 0 8 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.929 114.1 50.9 -67.0 -47.5 5.2 -27.1 28.9 104 104 A E H X S+ 0 0 62 -4,-2.8 4,-0.9 1,-0.2 -1,-0.2 0.878 110.6 51.5 -59.1 -36.6 2.7 -26.4 31.7 105 105 A K H >X S+ 0 0 168 -4,-2.0 4,-0.7 2,-0.2 3,-0.6 0.912 106.8 51.0 -67.4 -43.9 4.6 -28.8 33.9 106 106 A A H 3< S+ 0 0 34 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.837 118.4 40.9 -62.0 -30.8 7.9 -27.1 33.3 107 107 A C H 3< S+ 0 0 0 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.506 92.5 84.9 -96.2 -6.4 6.2 -23.8 34.2 108 108 A A H << S- 0 0 58 -4,-0.9 -1,-0.2 -3,-0.6 -2,-0.1 0.890 116.8 -5.5 -63.7 -40.9 4.1 -25.0 37.1 109 109 A D S < S+ 0 0 123 -4,-0.7 -1,-0.2 -3,-0.2 -2,-0.1 -0.421 82.1 179.8-155.5 71.2 6.9 -24.6 39.7 110 110 A P - 0 0 16 0, 0.0 2,-0.1 0, 0.0 3,-0.1 -0.251 43.8 -81.6 -73.5 162.5 10.3 -23.6 38.2 111 111 A A > - 0 0 75 1,-0.1 3,-1.8 2,-0.1 -2,-0.0 -0.442 65.9 -88.2 -63.2 130.9 13.5 -23.0 40.1 112 112 A A T 3 S+ 0 0 90 1,-0.3 -56,-0.2 -2,-0.1 -57,-0.2 -0.093 113.9 20.2 -44.1 131.0 13.4 -19.5 41.5 113 113 A G T 3 S+ 0 0 35 -58,-1.6 -1,-0.3 -59,-0.5 -57,-0.2 0.512 87.6 155.6 85.2 6.3 14.7 -16.9 39.0 114 114 A S E < -e 56 0B 34 -3,-1.8 -57,-1.9 -59,-1.0 2,-0.5 -0.355 31.5-154.8 -69.1 144.6 14.3 -19.1 36.0 115 115 A V E -e 57 0B 3 -24,-0.5 -22,-2.4 -59,-0.2 2,-0.4 -0.988 14.8-173.0-120.7 119.5 13.9 -17.6 32.6 116 116 A I E -ef 58 93B 1 -59,-2.6 -57,-3.7 -2,-0.5 2,-0.5 -0.938 11.3-161.9-117.6 137.0 12.1 -19.7 30.1 117 117 A L E -ef 59 94B 0 -24,-2.6 -22,-2.3 -2,-0.4 -57,-0.2 -0.980 14.1-149.3-118.2 120.6 11.6 -19.0 26.4 118 118 A L - 0 0 0 -59,-3.0 -20,-0.2 -2,-0.5 -57,-0.2 -0.460 26.4 -96.6 -83.2 162.3 8.8 -20.9 24.7 119 119 A E - 0 0 9 -22,-1.1 -58,-0.2 -24,-0.3 -1,-0.1 -0.283 65.9 -51.0 -76.2 162.5 9.0 -21.9 21.0 120 120 A N > - 0 0 1 -45,-0.2 3,-2.2 1,-0.2 -58,-0.2 -0.038 44.9-153.7 -36.4 106.2 7.4 -20.0 18.1 121 121 A L G > S+ 0 0 0 -60,-2.1 3,-1.6 1,-0.3 6,-0.3 0.858 92.2 65.6 -53.1 -39.2 3.7 -19.3 19.0 122 122 A R G 3 S+ 0 0 18 1,-0.3 -54,-1.6 -61,-0.2 -1,-0.3 0.390 74.8 85.8 -69.0 5.3 2.9 -19.1 15.3 123 123 A F G < S+ 0 0 11 -3,-2.2 2,-0.4 -55,-0.1 -1,-0.3 0.564 88.8 63.5 -78.7 -7.4 3.8 -22.8 14.9 124 124 A H S X> S- 0 0 41 -3,-1.6 3,-1.5 -55,-0.2 4,-0.6 -0.970 79.9-143.9-118.5 131.0 0.1 -23.2 15.9 125 125 A V H 3> S+ 0 0 24 -57,-0.9 4,-1.9 -2,-0.4 5,-0.3 0.665 94.6 74.9 -66.8 -13.7 -2.7 -21.9 13.8 126 126 A E H 34 S+ 0 0 26 2,-0.2 47,-0.3 1,-0.2 -1,-0.3 0.650 85.3 63.1 -74.2 -14.8 -4.6 -21.0 17.0 127 127 A E H <4 S+ 0 0 1 -3,-1.5 46,-2.1 -6,-0.3 48,-0.2 0.973 119.7 21.8 -73.8 -55.5 -2.3 -18.0 17.7 128 128 A E H < S- 0 0 44 -4,-0.6 -2,-0.2 2,-0.2 -1,-0.1 0.735 101.4-130.6 -82.6 -20.8 -3.3 -16.1 14.6 129 129 A G S < S+ 0 0 23 -4,-1.9 12,-1.8 -5,-0.2 2,-0.3 0.450 83.6 57.6 84.4 -1.2 -6.6 -18.0 14.3 130 130 A K E +I 140 0D 61 -5,-0.3 -2,-0.2 10,-0.2 2,-0.2 -0.979 58.0 134.8-154.3 159.2 -5.7 -18.6 10.7 131 131 A G E -I 139 0D 9 8,-2.2 8,-1.9 -2,-0.3 2,-0.3 -0.858 40.9 -85.1-172.4-151.0 -3.0 -20.1 8.6 132 132 A K E -I 138 0D 55 -65,-2.9 6,-0.2 6,-0.3 2,-0.1 -0.997 25.0-130.3-147.3 146.9 -2.0 -22.4 5.7 133 133 A D > - 0 0 54 4,-2.1 3,-2.2 -2,-0.3 -64,-0.1 -0.310 47.0 -86.8 -87.0 178.6 -1.5 -26.1 5.2 134 134 A A T 3 S+ 0 0 103 1,-0.3 -1,-0.1 2,-0.1 -65,-0.0 0.692 129.5 57.1 -59.5 -19.2 1.6 -27.6 3.4 135 135 A S T 3 S- 0 0 106 2,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.522 118.7-109.5 -89.7 -7.9 -0.3 -27.2 0.1 136 136 A G S < S+ 0 0 48 -3,-2.2 2,-0.3 1,-0.3 -2,-0.1 0.543 70.6 144.1 90.9 7.6 -0.7 -23.4 0.6 137 137 A S - 0 0 66 1,-0.1 -4,-2.1 0, 0.0 -1,-0.3 -0.620 57.5-103.8 -84.2 139.7 -4.4 -23.7 1.2 138 138 A K E -I 132 0D 97 -2,-0.3 2,-0.4 -6,-0.2 -6,-0.3 -0.406 37.6-169.3 -65.2 128.4 -6.1 -21.4 3.7 139 139 A V E -I 131 0D 58 -8,-1.9 -8,-2.2 -2,-0.2 2,-0.4 -0.978 8.6-152.0-122.3 130.4 -7.0 -23.1 7.0 140 140 A K E -I 130 0D 109 -2,-0.4 -10,-0.2 -10,-0.2 -14,-0.1 -0.869 27.6-109.1-104.0 135.5 -9.2 -21.5 9.6 141 141 A A - 0 0 17 -12,-1.8 -1,-0.1 -2,-0.4 -15,-0.0 -0.199 27.8-113.2 -63.1 150.6 -8.7 -22.4 13.3 142 142 A D >> - 0 0 88 1,-0.1 4,-2.0 2,-0.0 3,-0.5 -0.722 19.2-135.6 -86.2 127.1 -11.2 -24.5 15.2 143 143 A P H 3> S+ 0 0 96 0, 0.0 4,-2.0 0, 0.0 -1,-0.1 0.849 103.9 51.1 -48.9 -46.4 -12.9 -22.6 18.0 144 144 A A H 3> S+ 0 0 61 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.860 111.1 49.4 -63.1 -36.1 -12.6 -25.4 20.6 145 145 A K H <> S+ 0 0 125 -3,-0.5 4,-2.4 2,-0.2 -1,-0.2 0.863 106.8 54.2 -72.9 -34.3 -8.9 -25.6 19.8 146 146 A I H X S+ 0 0 38 -4,-2.0 4,-2.3 2,-0.2 5,-0.2 0.912 108.7 51.0 -62.2 -40.8 -8.5 -21.8 20.2 147 147 A E H X S+ 0 0 146 -4,-2.0 4,-2.0 1,-0.2 -2,-0.2 0.925 111.1 46.9 -61.4 -46.3 -10.1 -22.2 23.6 148 148 A A H X S+ 0 0 62 -4,-2.0 4,-1.6 2,-0.2 -1,-0.2 0.852 111.4 51.7 -64.6 -36.8 -7.6 -25.0 24.6 149 149 A F H X S+ 0 0 8 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.940 113.3 43.3 -66.1 -48.5 -4.6 -23.0 23.3 150 150 A R H X S+ 0 0 76 -4,-2.3 4,-2.1 1,-0.2 29,-0.4 0.835 111.0 54.5 -67.6 -34.9 -5.5 -19.9 25.3 151 151 A A H < S+ 0 0 56 -4,-2.0 4,-0.5 -5,-0.2 -1,-0.2 0.891 110.4 48.5 -66.6 -36.5 -6.3 -22.0 28.4 152 152 A S H >X S+ 0 0 9 -4,-1.6 3,-1.7 2,-0.2 4,-0.6 0.951 110.1 48.8 -67.6 -51.5 -2.9 -23.6 28.2 153 153 A L H >< S+ 0 0 0 -4,-2.4 3,-1.4 1,-0.3 4,-0.2 0.902 107.6 58.3 -54.3 -41.1 -1.0 -20.2 27.8 154 154 A S T 3< S+ 0 0 18 -4,-2.1 3,-0.5 1,-0.3 -1,-0.3 0.658 98.9 59.1 -64.6 -17.1 -3.0 -19.0 30.7 155 155 A K T <4 S+ 0 0 82 -3,-1.7 -1,-0.3 -4,-0.5 -2,-0.2 0.599 86.6 77.2 -88.3 -12.4 -1.6 -21.8 32.9 156 156 A L S << S+ 0 0 0 -3,-1.4 2,-0.3 -4,-0.6 -1,-0.2 0.555 104.1 8.8 -76.1 -9.0 2.1 -20.8 32.4 157 157 A G - 0 0 3 -3,-0.5 -139,-0.2 -4,-0.2 3,-0.1 -0.972 56.9-127.2-160.7 174.7 2.0 -17.9 34.9 158 158 A D S S+ 0 0 60 -141,-2.6 24,-0.4 -2,-0.3 2,-0.3 0.733 95.1 31.0 -99.7 -30.8 0.1 -15.9 37.5 159 159 A V E S-d 18 0B 8 -142,-1.6 -140,-2.4 22,-0.1 2,-0.4 -0.968 73.6-136.0-131.1 148.0 0.4 -12.4 36.0 160 160 A Y E -dg 19 183B 4 22,-3.0 24,-3.1 -2,-0.3 2,-0.4 -0.868 16.4-174.8-109.3 135.0 0.5 -11.3 32.3 161 161 A V E -dg 20 184B 0 -142,-2.1 -140,-2.5 -2,-0.4 2,-0.6 -0.995 8.0-159.6-129.3 128.9 2.8 -8.7 30.9 162 162 A N E +dg 21 185B 0 22,-2.9 24,-2.1 -2,-0.4 27,-0.2 -0.936 26.3 154.3-114.5 112.5 2.7 -7.4 27.3 163 163 A D + 0 0 3 -142,-2.8 2,-0.6 -2,-0.6 -140,-0.4 0.059 48.5 99.0-120.1 21.3 5.8 -5.7 25.9 164 164 A A >> + 0 0 0 -143,-0.2 3,-2.3 -142,-0.2 4,-0.7 -0.546 36.0 162.3-108.9 65.4 5.1 -6.5 22.2 165 165 A F G >4 + 0 0 1 -2,-0.6 3,-0.7 1,-0.3 4,-0.2 0.778 68.6 71.4 -52.3 -29.2 3.6 -3.2 21.0 166 166 A G G 34 S+ 0 0 20 1,-0.2 -1,-0.3 -3,-0.2 231,-0.3 0.617 106.4 34.2 -65.8 -13.6 4.3 -4.3 17.4 167 167 A T G X4 S+ 0 0 6 -3,-2.3 3,-2.1 1,-0.1 5,-0.3 0.406 86.5 101.9-119.9 -0.6 1.6 -6.9 17.5 168 168 A A T << S+ 0 0 0 -3,-0.7 241,-3.1 -4,-0.7 242,-0.6 0.586 73.2 65.3 -61.5 -12.6 -0.9 -5.1 19.7 169 169 A H T 3 S+ 0 0 21 -4,-0.2 2,-0.4 238,-0.2 -1,-0.3 0.365 92.3 80.5 -91.5 7.6 -3.0 -4.2 16.7 170 170 A R S < S- 0 0 106 -3,-2.1 2,-1.8 237,-0.1 5,-0.1 -0.948 75.6-140.6-118.2 130.6 -3.8 -7.9 16.2 171 171 A A + 0 0 62 -2,-0.4 2,-0.2 4,-0.1 -3,-0.1 -0.374 50.2 150.1 -84.9 59.1 -6.4 -9.9 18.1 172 172 A H >>> - 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