==== 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 ISOMERASE 22-DEC-03 1V7Q . COMPND 2 MOLECULE: PHOSPHOGLYCERATE MUTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS; . AUTHOR M.SUGAHARA,N.KUNISHIMA,RIKEN STRUCTURAL GENOMICS/PROTEOMICS . 169 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8291.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 121 71.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 13 7.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 17 10.1 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 0.6 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 . 15 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 21 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 45 26.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 2.4 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 1 0 0 0 1 2 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 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 0 PARALLEL BRIDGES PER LADDER . 2 0 0 0 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 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 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 M 0 0 70 0, 0.0 159,-2.1 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 115.4 18.3 15.9 24.5 2 2 A E E +A 159 0A 75 157,-0.2 126,-1.0 155,-0.1 2,-0.4 -0.558 360.0 174.1 -72.6 119.5 18.9 12.5 22.8 3 3 A L E -Ab 158 128A 1 155,-2.7 155,-2.9 -2,-0.5 2,-0.6 -0.993 22.3-148.6-130.5 133.2 20.3 10.1 25.4 4 4 A W E -Ab 157 129A 28 124,-2.5 126,-3.5 -2,-0.4 2,-0.6 -0.902 10.2-160.9-102.9 123.5 21.0 6.4 24.8 5 5 A L E -Ab 156 130A 2 151,-2.9 151,-2.2 -2,-0.6 2,-0.6 -0.928 7.2-166.0-106.6 116.5 20.6 4.3 27.9 6 6 A V E -Ab 155 131A 1 124,-3.2 126,-2.7 -2,-0.6 2,-0.5 -0.911 10.0-149.2-108.0 119.9 22.4 0.9 27.6 7 7 A R E - b 0 132A 55 147,-2.4 146,-1.1 -2,-0.6 126,-0.2 -0.749 30.4-114.8 -84.5 128.7 21.6 -1.8 30.2 8 8 A H - 0 0 6 124,-1.6 145,-0.9 -2,-0.5 146,-0.2 -0.149 35.6 -98.6 -61.1 159.5 24.7 -4.0 30.7 9 9 A G - 0 0 0 45,-0.3 144,-0.2 143,-0.3 22,-0.2 0.107 58.1 -49.4 -69.1-174.2 24.6 -7.6 29.6 10 10 A E - 0 0 31 142,-0.2 18,-2.7 20,-0.1 2,-0.3 -0.256 46.9-177.6 -63.9 140.2 24.0 -10.7 31.7 11 11 A T B >> -F 27 0B 0 16,-0.3 4,-1.0 -3,-0.1 3,-0.6 -0.829 46.5 -97.8-125.0 165.2 25.9 -11.5 34.9 12 12 A L H >> S+ 0 0 82 14,-0.5 4,-0.9 -2,-0.3 3,-0.7 0.889 123.5 50.2 -56.0 -40.8 25.3 -14.7 36.8 13 13 A W H 34>S+ 0 0 50 1,-0.2 5,-2.0 2,-0.2 4,-0.3 0.806 100.6 63.5 -69.2 -27.6 22.8 -13.1 39.3 14 14 A N H <45S+ 0 0 56 -3,-0.6 3,-0.2 1,-0.2 -1,-0.2 0.788 111.1 38.6 -66.0 -26.5 20.8 -11.6 36.4 15 15 A R H <<5S+ 0 0 157 -4,-1.0 -1,-0.2 -3,-0.7 -2,-0.2 0.598 115.9 52.0 -98.9 -11.9 20.0 -15.1 35.3 16 16 A E T <5S- 0 0 106 -4,-0.9 -2,-0.2 2,-0.1 -1,-0.1 0.097 111.7-106.8-111.7 22.5 19.6 -16.6 38.7 17 17 A G T 5 + 0 0 43 -4,-0.3 68,-2.2 -3,-0.2 69,-0.4 0.906 69.7 139.1 56.5 50.4 17.1 -14.2 40.3 18 18 A R B < -G 84 0C 90 -5,-2.0 2,-0.2 66,-0.2 66,-0.2 -0.982 58.2-109.4-127.1 136.8 19.4 -12.4 42.7 19 19 A L - 0 0 16 64,-1.9 63,-3.2 -2,-0.4 2,-0.5 -0.452 35.5-169.3 -64.1 127.7 19.5 -8.6 43.5 20 20 A L + 0 0 11 -2,-0.2 55,-0.1 61,-0.2 61,-0.1 -0.943 27.3 132.3-125.7 110.1 22.6 -7.1 42.0 21 21 A G S S- 0 0 0 -2,-0.5 53,-0.4 53,-0.1 55,-0.2 0.548 79.6 -8.0-118.1 -93.1 23.5 -3.5 42.9 22 22 A W S S+ 0 0 82 51,-0.1 2,-0.2 2,-0.1 54,-0.1 0.549 94.4 115.4 -90.6 -8.1 27.0 -2.5 44.0 23 23 A T S S- 0 0 45 1,-0.1 2,-1.5 29,-0.1 59,-0.1 -0.481 72.9-129.6 -60.2 128.8 28.4 -6.0 44.2 24 24 A D + 0 0 88 -2,-0.2 -1,-0.1 29,-0.1 -2,-0.1 -0.364 42.4 166.8 -85.6 59.0 31.0 -5.8 41.4 25 25 A L - 0 0 38 -2,-1.5 29,-0.6 1,-0.1 2,-0.1 -0.428 30.3-125.1 -74.9 145.9 30.1 -9.0 39.5 26 26 A P - 0 0 71 0, 0.0 -14,-0.5 0, 0.0 2,-0.1 -0.423 29.5 -94.9 -86.4 163.6 31.5 -9.6 36.0 27 27 A L B -F 11 0B 14 -16,-0.2 -16,-0.3 -2,-0.1 -17,-0.1 -0.427 39.5-121.3 -71.7 151.6 29.6 -10.2 32.8 28 28 A T > - 0 0 34 -18,-2.7 4,-2.0 -2,-0.1 5,-0.2 -0.294 36.8 -93.3 -81.4 178.0 29.1 -13.9 31.9 29 29 A A H > S+ 0 0 87 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.911 131.9 47.0 -61.0 -40.2 30.3 -15.1 28.5 30 30 A E H > S+ 0 0 86 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.882 106.9 58.1 -68.6 -35.8 26.9 -14.4 27.0 31 31 A G H > S+ 0 0 0 -21,-0.3 4,-1.7 1,-0.2 -22,-0.2 0.897 107.5 47.2 -59.2 -39.1 26.9 -11.0 28.7 32 32 A E H X S+ 0 0 56 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.896 110.1 52.7 -68.9 -38.9 30.1 -10.2 26.8 33 33 A A H X S+ 0 0 28 -4,-1.9 4,-1.7 1,-0.2 -2,-0.2 0.877 107.1 52.3 -63.5 -37.9 28.5 -11.5 23.6 34 34 A Q H < S+ 0 0 38 -4,-2.6 4,-0.5 1,-0.2 -1,-0.2 0.899 109.5 50.2 -65.2 -38.8 25.5 -9.2 24.1 35 35 A A H >X S+ 0 0 0 -4,-1.7 3,-1.4 1,-0.2 4,-0.5 0.917 107.6 52.3 -65.8 -43.5 27.9 -6.3 24.6 36 36 A R H >< S+ 0 0 150 -4,-2.4 3,-1.2 1,-0.3 -1,-0.2 0.843 100.7 61.9 -63.3 -31.7 29.8 -7.1 21.4 37 37 A R T 3< S+ 0 0 153 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.680 96.9 61.3 -68.4 -14.2 26.5 -7.2 19.4 38 38 A L T X> S+ 0 0 11 -3,-1.4 4,-1.7 -4,-0.5 3,-1.4 0.701 77.2 107.0 -82.5 -21.4 26.1 -3.5 20.3 39 39 A K T << S+ 0 0 142 -3,-1.2 24,-0.1 -4,-0.5 23,-0.1 -0.424 93.8 7.5 -63.3 123.3 29.3 -2.4 18.6 40 40 A G T 34 S+ 0 0 76 22,-0.5 -1,-0.3 2,-0.3 4,-0.1 0.073 118.6 77.6 93.5 -24.3 28.3 -0.6 15.4 41 41 A A T <4 S+ 0 0 53 -3,-1.4 -2,-0.2 -4,-0.1 -3,-0.1 0.793 83.1 67.2 -86.7 -33.1 24.6 -0.6 16.3 42 42 A L S < S- 0 0 5 -4,-1.7 -2,-0.3 20,-0.2 2,-0.1 -0.647 98.4-101.1 -86.4 146.7 24.8 2.2 18.9 43 43 A P - 0 0 40 0, 0.0 2,-2.4 0, 0.0 -1,-0.1 -0.409 31.8-114.8 -68.3 144.2 25.6 5.7 17.6 44 44 A S + 0 0 119 -4,-0.1 3,-0.1 -2,-0.1 19,-0.0 -0.320 65.0 143.4 -78.0 59.6 29.2 6.8 18.1 45 45 A L - 0 0 45 -2,-2.4 83,-0.2 1,-0.2 84,-0.1 -0.423 65.0 -69.1 -91.6 169.4 28.3 9.6 20.5 46 46 A P - 0 0 84 0, 0.0 83,-2.7 0, 0.0 2,-0.4 -0.350 60.4-139.3 -58.1 141.2 30.4 10.6 23.6 47 47 A A E -c 129 0A 10 18,-0.3 20,-2.1 81,-0.2 2,-0.3 -0.884 22.9-177.4-116.2 141.0 30.1 7.8 26.2 48 48 A F E -cd 130 67A 21 81,-2.6 83,-2.8 -2,-0.4 2,-0.3 -0.898 13.3-171.6-124.7 153.3 29.7 7.8 29.9 49 49 A S E -cd 131 68A 0 18,-2.3 20,-2.8 -2,-0.3 23,-0.2 -1.000 29.9-106.9-152.5 150.6 29.7 4.7 32.2 50 50 A S - 0 0 0 81,-2.1 6,-0.1 -2,-0.3 21,-0.0 -0.362 36.6-124.7 -64.6 153.2 29.1 3.5 35.6 51 51 A D S S+ 0 0 41 18,-0.3 2,-0.1 4,-0.1 -1,-0.1 0.545 76.9 113.0 -82.4 -4.9 32.4 2.6 37.3 52 52 A L S >> S- 0 0 6 1,-0.1 4,-2.3 18,-0.1 3,-1.2 -0.452 77.8-119.9 -68.4 138.9 31.1 -1.0 38.0 53 53 A L H 3> S+ 0 0 58 1,-0.3 4,-3.1 2,-0.2 5,-0.3 0.859 108.6 56.4 -45.7 -49.8 33.0 -3.7 36.1 54 54 A R H 3> S+ 0 0 1 -29,-0.6 4,-1.1 1,-0.2 -45,-0.3 0.828 112.6 42.1 -58.3 -32.5 30.0 -5.0 34.2 55 55 A A H <> S+ 0 0 0 -3,-1.2 4,-2.6 2,-0.2 -1,-0.2 0.918 114.6 49.2 -79.4 -46.1 29.1 -1.6 32.8 56 56 A R H X S+ 0 0 85 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.904 112.2 49.4 -59.2 -41.8 32.7 -0.7 31.9 57 57 A R H X S+ 0 0 67 -4,-3.1 4,-2.5 -5,-0.2 -1,-0.2 0.866 109.1 52.3 -66.9 -35.4 33.2 -4.0 30.2 58 58 A T H X S+ 0 0 1 -4,-1.1 4,-1.8 -5,-0.3 -2,-0.2 0.941 110.2 48.5 -65.1 -44.5 30.0 -3.5 28.2 59 59 A A H <>S+ 0 0 0 -4,-2.6 5,-2.6 1,-0.2 4,-0.2 0.941 112.1 49.5 -58.9 -48.3 31.2 -0.1 27.1 60 60 A E H ><5S+ 0 0 116 -4,-2.5 3,-1.5 1,-0.2 -2,-0.2 0.922 112.8 44.7 -57.6 -49.6 34.5 -1.5 26.1 61 61 A L H 3<5S+ 0 0 10 -4,-2.5 -1,-0.2 1,-0.3 -22,-0.2 0.775 106.7 61.1 -68.3 -25.6 33.1 -4.4 24.1 62 62 A A T 3<5S- 0 0 2 -4,-1.8 -22,-0.5 -5,-0.2 -1,-0.3 0.486 124.5-105.4 -79.1 -1.3 30.6 -2.1 22.5 63 63 A G T < 5S+ 0 0 46 -3,-1.5 2,-0.3 1,-0.3 -3,-0.2 0.685 78.6 125.7 87.4 21.3 33.6 -0.2 21.1 64 64 A F < - 0 0 25 -5,-2.6 -1,-0.3 -6,-0.2 -2,-0.1 -0.748 52.0-151.5-113.1 159.3 33.5 2.8 23.4 65 65 A S - 0 0 120 -2,-0.3 -18,-0.3 2,-0.0 2,-0.1 -0.824 35.2-167.3-126.5 84.9 36.0 4.5 25.7 66 66 A P - 0 0 30 0, 0.0 2,-0.5 0, 0.0 -18,-0.3 -0.327 25.6-118.2 -79.9 158.5 33.7 6.1 28.4 67 67 A R E -d 48 0A 145 -20,-2.1 -18,-2.3 -2,-0.1 2,-0.4 -0.814 40.2-123.0 -90.6 128.6 34.3 8.6 31.1 68 68 A L E +d 49 0A 87 -2,-0.5 -18,-0.2 -20,-0.2 -17,-0.1 -0.627 34.9 172.5 -83.5 130.3 33.6 6.9 34.4 69 69 A Y > - 0 0 68 -20,-2.8 3,-1.6 -2,-0.4 -18,-0.3 -0.977 28.4-152.9-139.5 122.7 30.9 8.3 36.8 70 70 A P G > S+ 0 0 65 0, 0.0 3,-2.1 0, 0.0 -1,-0.1 0.740 91.3 76.0 -64.0 -23.8 29.6 6.6 40.0 71 71 A E G 3 S+ 0 0 77 1,-0.3 49,-0.2 45,-0.1 -21,-0.1 0.708 88.7 60.1 -62.7 -18.1 26.4 8.5 39.6 72 72 A L G < S+ 0 0 1 -3,-1.6 61,-0.4 -23,-0.2 -22,-0.3 0.367 81.7 120.7 -90.2 3.7 25.5 6.0 36.9 73 73 A R S < S- 0 0 56 -3,-2.1 60,-0.1 -24,-0.1 3,-0.1 -0.230 71.9-101.9 -66.2 157.3 25.7 3.0 39.3 74 74 A E - 0 0 19 -53,-0.4 -53,-0.1 1,-0.2 -1,-0.1 -0.223 57.8 -77.9 -65.4 167.1 22.8 0.6 40.0 75 75 A I - 0 0 6 -55,-0.1 2,-0.5 1,-0.1 -1,-0.2 -0.416 48.9-111.9 -68.5 147.6 21.1 1.3 43.3 76 76 A H - 0 0 49 -55,-0.2 32,-2.1 1,-0.1 -1,-0.1 -0.728 25.8-167.4 -82.8 123.5 23.0 -0.1 46.3 77 77 A F > - 0 0 11 -2,-0.5 3,-2.6 1,-0.2 30,-0.4 0.511 17.1-170.9 -89.3 -4.3 21.0 -3.0 47.8 78 78 A G G > S+ 0 0 16 28,-0.3 3,-1.8 1,-0.3 28,-0.2 -0.275 73.1 7.8 54.2-123.1 23.1 -3.0 51.0 79 79 A A G 3 S+ 0 0 80 26,-3.1 -1,-0.3 1,-0.3 27,-0.1 0.627 130.3 61.4 -64.8 -12.9 22.2 -6.1 53.1 80 80 A L G X + 0 0 19 -3,-2.6 3,-2.0 25,-0.3 -61,-0.3 0.370 69.5 129.2 -96.5 5.0 20.1 -7.3 50.2 81 81 A E T < S+ 0 0 38 -3,-1.8 -61,-0.2 1,-0.3 3,-0.1 -0.416 87.4 6.3 -59.4 131.2 22.9 -7.6 47.7 82 82 A G T 3 S+ 0 0 9 -63,-3.2 -1,-0.3 1,-0.2 -62,-0.1 0.272 95.3 161.9 77.6 -12.8 22.7 -11.1 46.2 83 83 A A < - 0 0 22 -3,-2.0 -64,-1.9 -65,-0.2 2,-0.6 -0.066 48.2-112.4 -44.6 131.2 19.5 -11.6 48.1 84 84 A L B > -G 18 0C 53 -66,-0.2 4,-0.6 1,-0.2 3,-0.4 -0.579 20.7-150.8 -70.2 115.2 17.5 -14.4 46.7 85 85 A W T >4 S+ 0 0 69 -68,-2.2 3,-0.8 -2,-0.6 -1,-0.2 0.849 91.9 64.5 -56.7 -34.9 14.4 -12.7 45.2 86 86 A E T 34 S+ 0 0 150 -69,-0.4 -1,-0.2 1,-0.3 -68,-0.1 0.922 112.6 30.3 -55.0 -51.2 12.4 -15.9 45.9 87 87 A T T 34 S+ 0 0 104 -3,-0.4 -1,-0.3 2,-0.1 2,-0.2 0.312 89.3 132.9 -93.3 8.2 12.7 -15.6 49.7 88 88 A L S << S- 0 0 14 -3,-0.8 5,-0.1 -4,-0.6 -3,-0.1 -0.422 71.5 -99.3 -63.6 126.3 12.9 -11.8 49.7 89 89 A D >> - 0 0 63 -2,-0.2 4,-2.1 1,-0.1 3,-1.2 -0.171 29.7-122.7 -47.7 130.6 10.5 -10.5 52.3 90 90 A P H 3> S+ 0 0 75 0, 0.0 4,-3.2 0, 0.0 5,-0.3 0.787 107.8 65.4 -47.3 -33.8 7.2 -9.3 50.6 91 91 A R H 3> S+ 0 0 163 1,-0.2 4,-1.4 2,-0.2 5,-0.1 0.916 109.9 35.3 -59.5 -44.2 7.7 -5.8 52.0 92 92 A Y H <> S+ 0 0 67 -3,-1.2 4,-2.5 2,-0.2 5,-0.2 0.887 117.2 54.6 -75.9 -39.4 10.8 -5.2 49.9 93 93 A K H X S+ 0 0 68 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.932 110.8 44.1 -59.6 -49.0 9.5 -7.3 47.0 94 94 A E H X S+ 0 0 94 -4,-3.2 4,-1.8 1,-0.2 -1,-0.2 0.889 113.1 53.4 -64.2 -39.2 6.3 -5.2 46.7 95 95 A A H X>S+ 0 0 13 -4,-1.4 5,-1.6 -5,-0.3 4,-1.5 0.898 109.6 46.3 -63.5 -43.9 8.2 -2.0 47.1 96 96 A L H <5S+ 0 0 21 -4,-2.5 -1,-0.2 2,-0.2 -2,-0.2 0.922 110.9 52.8 -66.3 -43.6 10.7 -2.7 44.3 97 97 A L H <5S+ 0 0 98 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.862 115.6 39.7 -60.8 -37.4 7.9 -3.8 41.9 98 98 A R H <5S- 0 0 161 -4,-1.8 -1,-0.2 2,-0.2 -2,-0.2 0.707 106.3-133.2 -83.7 -21.2 6.0 -0.6 42.5 99 99 A F T <5 + 0 0 11 -4,-1.5 2,-0.3 1,-0.2 -3,-0.2 0.953 69.5 84.5 66.3 53.8 9.2 1.4 42.5 100 100 A Q S - 0 0 0 0, 0.0 3,-2.8 0, 0.0 -25,-0.1 -0.365 38.8 -93.3 -58.0 131.1 16.9 -1.7 51.1 105 105 A P T 3 S+ 0 0 47 0, 0.0 -26,-3.1 0, 0.0 -25,-0.3 -0.225 109.8 3.6 -49.4 117.4 18.4 -2.2 54.6 106 106 A G T 3 S+ 0 0 69 1,-0.3 -28,-0.3 -28,-0.2 -29,-0.1 0.300 120.5 84.4 89.1 -10.7 21.9 -0.8 54.6 107 107 A G S < S- 0 0 14 -3,-2.8 2,-0.3 -30,-0.4 -1,-0.3 -0.045 87.9 -56.5-104.1-152.6 21.7 0.4 51.0 108 108 A E - 0 0 37 -32,-2.1 -1,-0.1 -3,-0.1 2,-0.1 -0.700 47.3-119.0 -93.7 143.5 20.4 3.5 49.1 109 109 A S > - 0 0 25 -2,-0.3 4,-2.5 -6,-0.2 -6,-0.2 -0.459 24.5-120.6 -74.8 152.5 16.9 4.8 49.4 110 110 A L H > S+ 0 0 8 -8,-2.3 4,-3.0 1,-0.2 5,-0.2 0.877 114.7 55.3 -62.2 -35.0 15.0 4.9 46.1 111 111 A S H > S+ 0 0 89 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.917 109.9 44.4 -65.0 -42.9 14.6 8.6 46.5 112 112 A A H > S+ 0 0 41 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.894 114.4 51.1 -66.7 -40.3 18.4 9.2 46.9 113 113 A F H X S+ 0 0 1 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.950 111.9 44.8 -62.3 -49.9 19.0 6.8 44.0 114 114 A Q H X S+ 0 0 41 -4,-3.0 4,-2.5 1,-0.2 5,-0.3 0.842 109.6 56.8 -66.4 -32.0 16.6 8.5 41.6 115 115 A E H X S+ 0 0 116 -4,-1.9 4,-2.2 -5,-0.2 -1,-0.2 0.929 108.7 45.1 -65.9 -43.6 17.9 12.0 42.6 116 116 A R H X S+ 0 0 34 -4,-2.0 4,-1.8 2,-0.2 -1,-0.2 0.864 113.5 51.4 -69.6 -32.7 21.5 11.2 41.7 117 117 A V H X S+ 0 0 1 -4,-1.9 4,-1.8 2,-0.2 -2,-0.2 0.975 114.8 40.1 -65.6 -54.2 20.4 9.6 38.4 118 118 A F H X S+ 0 0 44 -4,-2.5 4,-1.5 1,-0.2 -2,-0.2 0.841 113.5 55.1 -65.1 -32.2 18.3 12.5 37.3 119 119 A R H X S+ 0 0 166 -4,-2.2 4,-0.8 -5,-0.3 -1,-0.2 0.903 106.1 52.4 -67.2 -38.7 20.8 15.0 38.5 120 120 A F H >< S+ 0 0 21 -4,-1.8 3,-1.0 1,-0.2 4,-0.3 0.916 106.9 52.6 -62.6 -41.5 23.5 13.3 36.4 121 121 A L H >< S+ 0 0 9 -4,-1.8 3,-1.4 1,-0.2 -1,-0.2 0.847 101.3 61.4 -62.6 -33.7 21.3 13.6 33.3 122 122 A E H 3< S+ 0 0 125 -4,-1.5 -1,-0.2 1,-0.3 -2,-0.2 0.740 97.4 59.6 -65.5 -23.6 20.9 17.3 34.0 123 123 A G T << S+ 0 0 49 -3,-1.0 2,-0.4 -4,-0.8 -1,-0.3 0.525 79.4 107.6 -84.3 -4.2 24.6 17.8 33.5 124 124 A L < - 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