==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 23-MAR-07 2EKL . COMPND 2 MOLECULE: D-3-PHOSPHOGLYCERATE DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SULFOLOBUS TOKODAII; . AUTHOR N.K.LOKANATH,RIKEN STRUCTURAL GENOMICS/PROTEOMICS . 312 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16893.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 231 74.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 52 16.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 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 . 30 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 97 31.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 2.6 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 0 0 4 2 1 3 0 0 1 0 0 0 0 1 0 0 0 1 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 . 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 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 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 2 A A 0 0 157 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 168.1 19.6 40.1 55.5 2 3 A I - 0 0 154 1,-0.1 2,-0.1 0, 0.0 0, 0.0 -0.635 360.0-116.0 -83.2 132.5 17.4 39.6 52.4 3 4 A Y - 0 0 127 -2,-0.4 2,-0.6 1,-0.0 -1,-0.1 -0.391 20.5-155.0 -64.4 141.6 18.6 41.1 49.1 4 5 A T - 0 0 89 -2,-0.1 2,-0.3 22,-0.0 22,-0.1 -0.992 18.3-144.0-121.7 117.5 16.2 43.7 47.8 5 6 A V - 0 0 16 -2,-0.6 22,-1.8 306,-0.1 2,-0.4 -0.668 12.7-149.4 -89.1 140.1 16.8 43.6 44.1 6 7 A K E -a 27 0A 44 -2,-0.3 41,-2.0 20,-0.2 42,-2.0 -0.928 10.8-168.1-117.6 131.7 16.6 47.1 42.4 7 8 A A E -ab 28 48A 0 20,-3.1 22,-2.8 -2,-0.4 2,-0.5 -0.947 6.0-157.7-120.3 137.3 15.5 47.9 38.9 8 9 A L E -ab 29 49A 0 40,-2.6 42,-3.0 -2,-0.4 2,-0.6 -0.954 1.6-164.9-114.9 123.8 15.9 51.1 37.0 9 10 A I E -ab 30 50A 0 20,-2.5 22,-2.8 -2,-0.5 42,-0.2 -0.947 7.9-180.0-108.7 117.1 13.7 51.9 34.0 10 11 A T + 0 0 0 40,-2.3 24,-0.4 -2,-0.6 41,-0.2 0.557 58.5 46.3 -96.3 -11.0 15.1 54.8 32.0 11 12 A D S S- 0 0 1 39,-0.5 2,-0.4 22,-0.1 22,-0.2 -0.913 94.7 -86.7-132.3 158.7 12.6 55.2 29.2 12 13 A P + 0 0 60 0, 0.0 2,-0.3 0, 0.0 -2,-0.1 -0.484 61.7 169.8 -63.8 119.0 8.8 55.4 28.8 13 14 A I - 0 0 21 -2,-0.4 5,-0.0 -4,-0.1 39,-0.0 -0.837 41.4 -69.6-131.5 170.2 7.7 51.7 28.5 14 15 A D >> - 0 0 79 -2,-0.3 3,-1.1 1,-0.2 4,-0.9 -0.334 41.5-132.6 -58.0 131.5 4.6 49.5 28.5 15 16 A E H 3> S+ 0 0 99 1,-0.2 4,-3.1 2,-0.2 5,-0.3 0.689 97.0 77.9 -61.9 -19.3 3.1 49.4 32.0 16 17 A I H 3> S+ 0 0 64 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.914 95.7 45.6 -57.3 -43.9 2.8 45.6 31.8 17 18 A L H <> S+ 0 0 3 -3,-1.1 4,-2.0 2,-0.2 -1,-0.2 0.921 115.4 45.5 -66.3 -45.7 6.5 45.2 32.5 18 19 A I H X S+ 0 0 0 -4,-0.9 4,-2.7 2,-0.2 5,-0.2 0.927 113.9 49.4 -64.0 -45.5 6.6 47.7 35.4 19 20 A K H X S+ 0 0 107 -4,-3.1 4,-2.7 1,-0.2 -2,-0.2 0.906 109.7 52.1 -59.8 -43.3 3.4 46.3 36.9 20 21 A T H X S+ 0 0 18 -4,-2.3 4,-0.9 -5,-0.3 -1,-0.2 0.906 112.2 44.9 -61.5 -43.4 4.8 42.7 36.7 21 22 A L H ><>S+ 0 0 1 -4,-2.0 5,-1.9 2,-0.2 3,-0.5 0.924 114.0 49.1 -67.5 -45.1 8.0 43.7 38.5 22 23 A R H ><5S+ 0 0 123 -4,-2.7 3,-2.0 1,-0.2 -2,-0.2 0.901 105.3 57.6 -62.5 -40.8 6.1 45.7 41.2 23 24 A E H 3<5S+ 0 0 123 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.799 104.6 54.0 -59.4 -29.2 3.7 42.9 41.8 24 25 A K T <<5S- 0 0 108 -4,-0.9 -1,-0.3 -3,-0.5 -2,-0.2 0.259 120.6-106.3 -91.5 12.9 6.6 40.7 42.6 25 26 A G T < 5 + 0 0 66 -3,-2.0 2,-0.2 1,-0.3 -3,-0.2 0.526 68.1 149.4 79.2 4.8 8.1 43.0 45.2 26 27 A I < - 0 0 11 -5,-1.9 2,-0.8 1,-0.1 -1,-0.3 -0.512 54.0-116.8 -74.7 137.9 11.0 44.2 43.1 27 28 A Q E -a 6 0A 84 -22,-1.8 -20,-3.1 -2,-0.2 2,-0.6 -0.665 38.1-168.9 -76.5 110.7 12.0 47.8 43.9 28 29 A V E -a 7 0A 15 -2,-0.8 2,-0.8 -22,-0.2 -20,-0.2 -0.908 15.0-167.8-112.0 118.4 11.3 49.7 40.6 29 30 A D E -a 8 0A 54 -22,-2.8 -20,-2.5 -2,-0.6 2,-0.9 -0.892 10.8-161.0-103.2 108.4 12.5 53.2 40.0 30 31 A Y E +a 9 0A 76 -2,-0.8 -20,-0.2 -22,-0.2 3,-0.1 -0.804 23.9 158.8 -95.3 104.1 10.8 54.6 36.9 31 32 A M > + 0 0 68 -22,-2.8 3,-1.9 -2,-0.9 -1,-0.1 -0.636 7.2 173.1-124.5 71.1 12.7 57.6 35.5 32 33 A P T 3 S+ 0 0 30 0, 0.0 -22,-0.1 0, 0.0 -1,-0.1 0.568 81.9 35.0 -56.4 -13.5 11.5 57.8 31.9 33 34 A E T 3 S+ 0 0 169 -22,-0.2 -22,-0.1 -3,-0.1 -23,-0.1 0.103 79.1 150.5-130.9 24.6 13.4 61.0 31.3 34 35 A I < - 0 0 14 -3,-1.9 -3,-0.0 -24,-0.4 2,-0.0 -0.317 46.5-118.0 -58.8 134.6 16.5 60.6 33.4 35 36 A S > - 0 0 50 1,-0.1 4,-2.2 20,-0.0 5,-0.1 -0.293 18.1-110.9 -73.6 160.7 19.5 62.5 31.9 36 37 A K H > S+ 0 0 134 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.877 118.7 47.3 -50.9 -47.6 22.7 61.0 30.7 37 38 A E H > S+ 0 0 122 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.929 110.8 48.3 -68.3 -47.1 24.6 62.5 33.5 38 39 A E H > S+ 0 0 80 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.854 106.9 59.3 -63.3 -34.0 22.2 61.5 36.3 39 40 A L H >X S+ 0 0 8 -4,-2.2 4,-2.5 1,-0.2 3,-0.7 0.942 105.0 48.1 -59.3 -48.9 22.1 57.9 34.9 40 41 A L H 3< S+ 0 0 50 -4,-1.6 4,-0.4 1,-0.2 -1,-0.2 0.824 108.2 57.2 -61.3 -31.8 25.9 57.6 35.4 41 42 A N H 3< S+ 0 0 93 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.795 122.0 22.3 -71.6 -27.9 25.5 59.0 39.0 42 43 A I H X< S+ 0 0 25 -4,-1.4 3,-2.3 -3,-0.7 -2,-0.2 0.545 91.0 95.2-118.3 -8.5 23.0 56.3 40.1 43 44 A I G >< S+ 0 0 0 -4,-2.5 3,-1.8 1,-0.3 24,-0.3 0.803 76.0 71.6 -55.4 -28.8 23.4 53.3 37.8 44 45 A G G 3 S+ 0 0 17 -4,-0.4 -1,-0.3 1,-0.3 23,-0.1 0.623 89.3 62.0 -63.9 -11.5 25.8 51.7 40.4 45 46 A N G < S+ 0 0 74 -3,-2.3 2,-0.4 21,-0.1 -1,-0.3 0.414 90.8 87.6 -94.8 2.6 22.8 51.1 42.7 46 47 A Y < - 0 0 13 -3,-1.8 21,-0.2 -4,-0.2 -39,-0.2 -0.832 48.2-170.5-116.2 146.8 20.9 48.7 40.4 47 48 A D S S+ 0 0 0 -41,-2.0 22,-3.1 -2,-0.4 23,-1.9 0.689 87.1 33.6 -91.8 -27.4 20.8 45.0 39.6 48 49 A I E -bc 7 70A 0 -42,-2.0 -40,-2.6 20,-0.2 2,-0.4 -0.989 61.8-170.0-134.9 140.3 18.6 45.5 36.6 49 50 A I E -bc 8 71A 0 21,-1.7 23,-3.1 -2,-0.4 2,-0.5 -0.994 6.6-162.8-129.0 135.6 18.3 48.3 34.0 50 51 A V E +bc 9 72A 0 -42,-3.0 -40,-2.3 -2,-0.4 -39,-0.5 -0.984 18.7 167.5-121.0 124.8 15.4 48.5 31.5 51 52 A V E - c 0 73A 0 21,-3.1 23,-2.9 -2,-0.5 5,-0.0 -0.852 23.4-168.2-132.6 161.4 15.8 50.7 28.4 52 53 A R - 0 0 110 -2,-0.3 28,-0.2 21,-0.2 -1,-0.2 0.402 62.4 -61.7-111.0 -89.5 14.1 51.2 25.2 53 54 A S S S+ 0 0 67 3,-0.1 22,-0.0 21,-0.1 -2,-0.0 0.666 117.4 67.2-131.4 -33.7 15.9 53.3 22.7 54 55 A R S S+ 0 0 121 2,-0.0 2,-0.4 0, 0.0 -43,-0.0 0.883 94.1 72.4 -53.0 -44.0 16.5 57.0 24.0 55 56 A T S S- 0 0 8 2,-0.0 2,-0.6 -20,-0.0 -44,-0.1 -0.667 74.7-149.9 -85.9 131.7 19.0 55.6 26.6 56 57 A K - 0 0 105 -2,-0.4 2,-1.6 -5,-0.0 25,-0.2 -0.891 2.9-156.4-105.3 116.4 22.4 54.3 25.5 57 58 A V B +e 81 0B 0 23,-2.2 25,-2.1 -2,-0.6 -2,-0.0 -0.586 33.4 171.4 -90.1 74.4 23.9 51.6 27.6 58 59 A T > - 0 0 61 -2,-1.6 4,-2.0 23,-0.2 3,-0.5 -0.171 49.2 -91.5 -79.4 174.2 27.5 52.2 26.6 59 60 A K H > S+ 0 0 110 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.885 125.6 50.3 -53.2 -46.2 30.7 50.8 27.9 60 61 A D H > S+ 0 0 70 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.809 108.0 54.3 -65.9 -29.9 31.1 53.5 30.5 61 62 A V H > S+ 0 0 7 -3,-0.5 4,-1.5 2,-0.2 -1,-0.2 0.914 110.2 46.0 -69.3 -42.7 27.6 53.0 31.7 62 63 A I H < S+ 0 0 0 -4,-2.0 6,-0.2 2,-0.2 -2,-0.2 0.885 109.8 54.0 -66.6 -40.2 28.1 49.3 32.3 63 64 A E H < S+ 0 0 110 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.902 110.6 46.7 -61.4 -40.9 31.4 50.0 34.1 64 65 A K H < S+ 0 0 95 -4,-1.7 2,-2.2 1,-0.2 -1,-0.2 0.799 96.1 78.3 -71.1 -29.9 29.7 52.3 36.5 65 66 A G >< + 0 0 0 -4,-1.5 3,-1.3 1,-0.2 -1,-0.2 -0.479 57.7 165.6 -80.9 71.9 26.9 49.8 37.0 66 67 A K T 3 S+ 0 0 170 -2,-2.2 -1,-0.2 1,-0.3 -22,-0.1 0.691 74.9 44.3 -61.6 -21.6 28.9 47.7 39.4 67 68 A K T 3 S+ 0 0 70 -24,-0.3 -1,-0.3 -21,-0.2 -2,-0.1 0.440 81.3 131.3-103.4 -1.6 25.8 45.8 40.5 68 69 A L < + 0 0 7 -3,-1.3 -20,-0.2 -6,-0.2 -21,-0.2 -0.293 14.9 156.2 -57.4 128.8 24.3 45.2 37.1 69 70 A K + 0 0 65 -22,-3.1 23,-2.0 1,-0.4 2,-0.4 0.537 65.8 31.4-124.7 -25.9 23.2 41.6 36.5 70 71 A I E -cd 48 92A 0 -23,-1.9 -21,-1.7 21,-0.2 2,-0.5 -0.998 56.3-165.9-142.0 135.4 20.5 42.1 33.8 71 72 A I E -cd 49 93A 0 21,-2.9 23,-2.6 -2,-0.4 2,-0.5 -0.988 14.4-163.4-119.3 122.2 20.1 44.6 31.0 72 73 A A E -cd 50 94A 0 -23,-3.1 -21,-3.1 -2,-0.5 2,-0.6 -0.939 7.2-166.5-114.1 125.9 16.6 44.6 29.4 73 74 A R E -c 51 0A 29 21,-3.0 2,-2.3 -2,-0.5 23,-0.3 -0.935 13.1-151.1-110.0 111.1 15.9 46.2 26.0 74 75 A A + 0 0 15 -23,-2.9 2,-0.3 -2,-0.6 221,-0.1 -0.496 69.4 73.0 -80.8 71.9 12.2 46.6 25.4 75 76 A G S S- 0 0 10 -2,-2.3 21,-2.3 219,-0.2 -2,-0.1 -0.949 92.0 -98.1-165.1-178.1 12.7 46.4 21.7 76 77 A I S S+ 0 0 76 -2,-0.3 22,-0.3 19,-0.2 2,-0.2 0.428 100.1 37.0 -95.5 -0.3 13.4 44.0 18.7 77 78 A G - 0 0 19 20,-0.1 19,-0.2 1,-0.0 -2,-0.1 -0.789 62.6-139.4-139.4-177.3 17.1 44.9 18.6 78 79 A L > + 0 0 38 -2,-0.2 3,-1.7 1,-0.1 5,-0.3 0.006 55.2 126.1-137.6 29.7 20.2 45.8 20.7 79 80 A D T 3 S+ 0 0 126 1,-0.3 -1,-0.1 3,-0.1 -26,-0.1 0.654 76.5 52.8 -65.6 -16.1 21.9 48.6 18.7 80 81 A N T 3 S+ 0 0 12 -28,-0.2 -23,-2.2 -3,-0.1 2,-0.4 0.301 98.3 80.4-102.3 9.3 21.9 50.9 21.8 81 82 A I B < S-e 57 0B 10 -3,-1.7 2,-1.8 -25,-0.2 3,-0.2 -0.938 77.1-132.3-119.1 138.1 23.6 48.3 24.1 82 83 A D > + 0 0 37 -25,-2.1 4,-2.4 -2,-0.4 5,-0.2 -0.629 32.2 175.8 -86.2 81.6 27.3 47.4 24.3 83 84 A T H > S+ 0 0 52 -2,-1.8 4,-2.1 -5,-0.3 -1,-0.2 0.792 73.6 56.4 -58.8 -31.8 26.7 43.7 24.1 84 85 A E H > S+ 0 0 114 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.960 110.0 42.8 -66.8 -50.2 30.4 43.0 24.0 85 86 A E H > S+ 0 0 28 1,-0.2 4,-1.7 2,-0.2 -2,-0.2 0.903 112.6 56.0 -61.7 -40.2 31.1 44.8 27.3 86 87 A A H <>S+ 0 0 0 -4,-2.4 5,-2.9 1,-0.2 -1,-0.2 0.904 106.0 49.7 -59.0 -43.6 28.0 43.3 28.8 87 88 A E H ><5S+ 0 0 156 -4,-2.1 3,-1.6 1,-0.2 -1,-0.2 0.903 106.5 55.4 -63.9 -41.4 29.2 39.7 28.0 88 89 A K H 3<5S+ 0 0 159 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.883 109.7 46.8 -57.7 -39.3 32.6 40.4 29.6 89 90 A R T 3<5S- 0 0 74 -4,-1.7 -1,-0.3 -5,-0.1 -2,-0.2 0.437 114.7-121.3 -82.1 -0.2 30.8 41.5 32.8 90 91 A N T < 5 + 0 0 143 -3,-1.6 2,-0.6 1,-0.2 -3,-0.2 0.842 56.5 160.3 61.8 34.4 28.7 38.3 32.5 91 92 A I < - 0 0 8 -5,-2.9 -1,-0.2 -6,-0.2 2,-0.2 -0.798 41.2-125.4 -92.4 121.9 25.5 40.5 32.4 92 93 A K E -d 70 0A 71 -23,-2.0 -21,-2.9 -2,-0.6 2,-0.5 -0.472 23.6-158.4 -67.2 128.9 22.5 38.8 31.0 93 94 A V E +d 71 0A 42 -2,-0.2 2,-0.3 -23,-0.2 -21,-0.2 -0.951 14.5 178.0-114.8 120.7 21.0 40.8 28.1 94 95 A V E +d 72 0A 20 -23,-2.6 -21,-3.0 -2,-0.5 2,-0.2 -0.883 12.6 136.8-123.5 154.0 17.3 40.3 27.2 95 96 A Y - 0 0 65 -2,-0.3 -19,-0.2 -23,-0.2 206,-0.1 -0.781 58.7 -73.9-162.8-154.2 14.9 41.7 24.7 96 97 A A > - 0 0 0 -21,-2.3 3,-1.8 -23,-0.3 4,-0.2 -0.494 45.0-172.8-124.9 66.5 12.2 40.6 22.2 97 98 A P T 3 S+ 0 0 43 0, 0.0 -20,-0.1 0, 0.0 -21,-0.1 -0.326 75.4 6.3 -61.2 131.8 13.9 39.0 19.1 98 99 A G T > S+ 0 0 27 -22,-0.3 3,-1.4 -2,-0.1 4,-0.2 0.431 87.8 131.2 77.4 0.0 11.4 38.2 16.3 99 100 A A T < S+ 0 0 2 -3,-1.8 194,-0.2 1,-0.3 195,-0.1 0.704 75.0 38.4 -58.0 -23.7 8.6 40.0 18.1 100 101 A S T >> S+ 0 0 10 -4,-0.2 4,-2.3 1,-0.1 3,-0.6 0.314 77.0 121.4-113.1 10.3 7.5 42.0 15.1 101 102 A T H <> S+ 0 0 16 -3,-1.4 4,-2.6 1,-0.2 5,-0.2 0.854 76.9 43.1 -39.2 -61.5 8.0 39.4 12.3 102 103 A D H 3> S+ 0 0 66 -4,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.844 113.4 52.2 -61.4 -34.1 4.5 39.3 10.9 103 104 A S H <> S+ 0 0 11 -3,-0.6 4,-2.0 2,-0.2 -1,-0.2 0.898 112.4 45.4 -68.6 -37.7 4.1 43.1 11.0 104 105 A A H X S+ 0 0 8 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.891 112.1 52.5 -70.8 -38.9 7.3 43.6 9.1 105 106 A V H X S+ 0 0 3 -4,-2.6 4,-2.0 -5,-0.3 -2,-0.2 0.924 110.1 48.1 -60.5 -46.7 6.3 40.9 6.6 106 107 A E H X S+ 0 0 119 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.908 110.0 50.3 -63.7 -42.5 3.0 42.6 6.0 107 108 A L H X S+ 0 0 33 -4,-2.0 4,-2.8 177,-0.2 -1,-0.2 0.879 107.7 56.2 -64.2 -34.9 4.5 46.0 5.5 108 109 A T H X S+ 0 0 1 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.944 109.6 43.8 -60.7 -49.4 7.0 44.5 3.0 109 110 A I H X S+ 0 0 21 -4,-2.0 4,-2.2 1,-0.2 5,-0.2 0.893 113.7 52.4 -62.7 -40.0 4.1 43.1 0.9 110 111 A G H X S+ 0 0 37 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.917 110.4 46.9 -62.8 -44.0 2.3 46.4 1.2 111 112 A L H X S+ 0 0 5 -4,-2.8 4,-2.7 2,-0.2 5,-0.2 0.905 109.6 54.3 -64.6 -41.6 5.3 48.4 0.0 112 113 A M H X S+ 0 0 3 -4,-2.5 4,-2.3 -5,-0.2 -2,-0.2 0.934 114.1 40.5 -58.4 -47.2 5.9 46.0 -2.9 113 114 A I H X S+ 0 0 55 -4,-2.2 4,-2.3 2,-0.2 6,-0.2 0.905 113.6 53.2 -70.1 -41.1 2.4 46.5 -4.2 114 115 A A H X>S+ 0 0 19 -4,-2.6 5,-1.8 -5,-0.2 4,-0.6 0.901 113.2 45.1 -60.8 -39.4 2.3 50.2 -3.5 115 116 A A H ><5S+ 0 0 2 -4,-2.7 3,-0.6 2,-0.2 -2,-0.2 0.919 113.2 49.0 -69.2 -46.0 5.5 50.6 -5.5 116 117 A A H 3<5S+ 0 0 0 -4,-2.3 21,-2.7 -5,-0.2 -2,-0.2 0.835 122.5 33.8 -63.3 -32.1 4.4 48.4 -8.3 117 118 A R H 3<5S- 0 0 138 -4,-2.3 -1,-0.2 19,-0.3 -2,-0.2 0.315 100.3-123.8-110.7 9.2 1.1 50.3 -8.6 118 119 A K T < + 0 0 81 -5,-1.8 4,-3.0 -6,-0.2 5,-0.2 0.866 66.7 56.4 -61.4 -38.0 -0.6 53.7 -4.9 120 121 A Y H > S+ 0 0 165 -6,-0.4 4,-2.5 2,-0.2 5,-0.2 0.944 107.4 47.9 -59.9 -48.7 0.7 56.8 -3.2 121 122 A T H > S+ 0 0 62 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.918 114.6 47.1 -57.7 -44.6 0.4 58.9 -6.3 122 123 A S H X S+ 0 0 49 -4,-1.9 4,-2.7 1,-0.2 -2,-0.2 0.905 112.1 48.7 -64.8 -44.1 -3.2 57.6 -6.8 123 124 A M H X S+ 0 0 100 -4,-3.0 4,-2.4 2,-0.2 -1,-0.2 0.874 110.7 50.9 -66.2 -36.4 -4.2 58.1 -3.2 124 125 A A H X S+ 0 0 50 -4,-2.5 4,-1.2 -5,-0.2 -1,-0.2 0.923 111.2 48.8 -65.9 -43.6 -2.8 61.7 -3.2 125 126 A L H ><>S+ 0 0 37 -4,-2.1 5,-2.5 -5,-0.2 3,-0.6 0.950 110.8 50.6 -59.9 -49.4 -4.8 62.4 -6.3 126 127 A A H ><5S+ 0 0 37 -4,-2.7 3,-2.3 1,-0.3 -2,-0.2 0.926 107.1 52.3 -54.9 -50.4 -8.0 61.0 -4.9 127 128 A K H 3<5S+ 0 0 196 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.785 107.2 54.5 -59.2 -26.2 -7.8 63.0 -1.7 128 129 A S T <<5S- 0 0 76 -4,-1.2 -1,-0.3 -3,-0.6 -2,-0.2 0.445 122.0-108.8 -86.5 -0.4 -7.4 66.1 -3.8 129 130 A G T < 5S+ 0 0 55 -3,-2.3 2,-0.7 -4,-0.3 -3,-0.2 0.658 82.3 124.9 82.8 15.9 -10.6 65.3 -5.7 130 131 A I < - 0 0 88 -5,-2.5 2,-1.4 -6,-0.2 -1,-0.2 -0.885 40.5-170.3-111.7 100.0 -8.8 64.3 -8.9 131 132 A F + 0 0 175 -2,-0.7 2,-0.5 -5,-0.1 -5,-0.1 -0.478 26.4 152.3 -92.0 67.2 -9.7 60.8 -9.9 132 133 A K - 0 0 136 -2,-1.4 -6,-0.1 -10,-0.1 -7,-0.1 -0.833 43.9-121.6 -97.5 129.4 -7.2 60.3 -12.7 133 134 A K - 0 0 202 -2,-0.5 2,-0.4 1,-0.0 -1,-0.0 -0.379 23.6-161.0 -70.8 147.8 -6.1 56.7 -13.3 134 135 A I - 0 0 64 -17,-0.1 2,-0.4 -2,-0.1 -12,-0.0 -0.997 11.7-134.2-131.8 134.5 -2.5 55.7 -13.1 135 136 A E + 0 0 168 -2,-0.4 2,-0.1 1,-0.0 -17,-0.0 -0.743 31.2 159.0 -96.4 135.9 -0.9 52.6 -14.6 136 137 A G - 0 0 17 -2,-0.4 2,-0.4 -19,-0.1 -19,-0.3 -0.285 38.7 -70.9-125.3-148.6 1.5 50.3 -12.8 137 138 A L - 0 0 50 -21,-2.7 2,-0.2 -24,-0.2 -19,-0.0 -0.933 31.5-129.8-122.3 142.9 2.9 46.8 -13.0 138 139 A E - 0 0 141 -2,-0.4 -25,-0.0 1,-0.1 0, 0.0 -0.570 12.3-160.3 -85.2 150.7 1.3 43.4 -12.3 139 140 A L > + 0 0 17 -2,-0.2 3,-2.0 24,-0.1 -1,-0.1 0.774 54.0 103.9-104.1 -32.0 3.1 41.0 -10.0 140 141 A A T 3 S+ 0 0 52 1,-0.3 25,-0.2 25,-0.1 24,-0.2 -0.214 89.7 17.3 -54.4 139.6 1.7 37.5 -10.8 141 142 A G T 3 S+ 0 0 53 23,-2.3 -1,-0.3 1,-0.3 24,-0.2 0.227 102.2 113.2 82.6 -15.8 3.9 35.3 -12.9 142 143 A K < - 0 0 61 -3,-2.0 24,-2.7 1,-0.1 2,-0.5 -0.362 69.6-108.2 -85.7 169.4 7.0 37.5 -12.2 143 144 A T E -f 166 0C 24 22,-0.2 54,-2.6 52,-0.2 55,-1.9 -0.848 25.4-163.2-103.8 131.0 10.0 36.5 -10.2 144 145 A I E -fg 167 198C 0 22,-2.9 24,-2.9 -2,-0.5 2,-0.6 -0.922 7.3-151.0-112.9 136.9 10.8 37.8 -6.7 145 146 A G E -fg 168 199C 0 53,-3.1 55,-2.5 -2,-0.4 2,-0.8 -0.927 5.1-156.0-111.0 114.1 14.3 37.5 -5.2 146 147 A I E -fg 169 200C 0 22,-3.2 24,-2.7 -2,-0.6 2,-0.8 -0.789 6.0-165.6 -90.8 109.3 14.4 37.3 -1.4 147 148 A V E S+fg 170 201C 3 53,-2.5 55,-3.1 -2,-0.8 24,-0.2 -0.854 74.5 26.7 -97.7 107.4 17.8 38.5 -0.2 148 149 A G S S- 0 0 4 22,-3.0 2,-0.6 -2,-0.8 23,-0.2 0.620 72.7-156.3 103.0 95.4 18.1 37.4 3.5 149 150 A F + 0 0 6 4,-0.1 -1,-0.1 21,-0.1 22,-0.1 -0.446 48.6 116.1-103.7 59.1 16.0 34.3 4.1 150 151 A G S > S- 0 0 38 -2,-0.6 4,-2.4 52,-0.4 5,-0.3 0.125 85.2 -44.8-100.2-144.1 15.3 34.5 7.8 151 152 A R H > S+ 0 0 160 2,-0.2 4,-1.2 1,-0.2 -2,-0.0 0.942 141.0 29.4 -53.2 -55.3 12.2 35.0 9.9 152 153 A I H > S+ 0 0 41 2,-0.2 4,-2.3 1,-0.2 5,-0.3 0.929 118.2 54.9 -74.2 -47.7 10.8 37.8 7.7 153 154 A G H > S+ 0 0 0 49,-0.3 4,-1.9 1,-0.2 -2,-0.2 0.886 106.4 52.9 -55.0 -41.9 12.3 36.8 4.4 154 155 A T H X S+ 0 0 36 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.931 111.1 45.2 -61.4 -46.0 10.8 33.3 4.6 155 156 A K H X S+ 0 0 81 -4,-1.2 4,-2.3 -5,-0.3 -1,-0.2 0.855 108.8 55.0 -68.3 -34.8 7.3 34.5 5.2 156 157 A V H X S+ 0 0 1 -4,-2.3 4,-2.9 1,-0.2 -1,-0.2 0.903 109.1 51.0 -63.6 -37.5 7.5 37.2 2.4 157 158 A G H X S+ 0 0 0 -4,-1.9 4,-2.4 -5,-0.3 -2,-0.2 0.908 107.2 51.4 -65.1 -42.2 8.4 34.3 0.1 158 159 A I H X S+ 0 0 82 -4,-1.9 4,-1.6 2,-0.2 -2,-0.2 0.918 114.3 44.2 -61.6 -42.2 5.5 32.2 1.2 159 160 A I H X S+ 0 0 61 -4,-2.3 4,-1.4 2,-0.2 -2,-0.2 0.932 112.0 50.9 -69.5 -45.4 3.1 35.1 0.5 160 161 A A H <>S+ 0 0 0 -4,-2.9 5,-2.3 1,-0.2 -1,-0.2 0.883 108.2 53.8 -60.7 -37.3 4.7 36.0 -2.8 161 162 A N H ><5S+ 0 0 51 -4,-2.4 3,-1.8 1,-0.2 -1,-0.2 0.916 106.8 51.3 -62.5 -41.1 4.4 32.4 -3.9 162 163 A A H 3<5S+ 0 0 85 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.772 102.5 60.9 -66.7 -24.7 0.7 32.5 -3.1 163 164 A M T 3<5S- 0 0 61 -4,-1.4 -1,-0.3 -3,-0.2 -2,-0.2 0.356 125.9-104.1 -82.1 5.5 0.5 35.7 -5.2 164 165 A G T < 5S+ 0 0 43 -3,-1.8 -23,-2.3 1,-0.3 2,-0.2 0.665 76.4 138.9 81.9 15.6 1.7 33.6 -8.2 165 166 A M < - 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