==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 08-DEC-99 1DKR . COMPND 2 MOLECULE: PHOSPHORIBOSYL PYROPHOSPHATE SYNTHETASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; . AUTHOR T.A.ERIKSEN,A.KADZIOLA,A.-K.BENTSEN,K.W.HARLOW,S.LARSEN . 604 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26550.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 412 68.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 102 16.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 20 3.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 50 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 52 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 149 24.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 2.3 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 2 0 0 1 2 5 2 2 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 4 8 5 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 PARALLEL BRIDGES PER LADDER . 0 0 2 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 . 3 0 0 1 1 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 8 A N 0 0 129 0, 0.0 49,-2.1 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 -16.8 8.1 76.1 25.2 2 9 A L E -a 50 0A 28 47,-0.2 2,-0.4 49,-0.0 49,-0.2 -0.940 360.0-173.9-103.8 126.1 11.3 75.5 27.3 3 10 A K E -a 51 0A 58 47,-2.2 49,-2.8 -2,-0.5 2,-0.5 -0.995 8.0-159.7-124.8 133.9 12.4 78.6 29.2 4 11 A I E -ab 52 25A 0 20,-0.5 22,-3.4 -2,-0.4 2,-0.3 -0.955 8.9-173.0-115.7 129.3 15.6 78.8 31.1 5 12 A F E -a 53 0A 0 47,-2.6 49,-2.5 -2,-0.5 2,-0.3 -0.879 7.9-154.6-115.9 156.5 16.1 81.4 33.9 6 13 A S E -a 54 0A 22 -2,-0.3 2,-0.2 20,-0.3 49,-0.1 -0.933 5.7-165.9-127.7 149.3 19.2 82.3 35.8 7 14 A L - 0 0 7 47,-1.4 3,-0.3 -2,-0.3 7,-0.1 -0.442 46.3 -73.5-115.1-161.2 19.5 83.9 39.3 8 15 A N S S+ 0 0 91 1,-0.2 47,-0.1 -2,-0.2 56,-0.1 0.657 104.9 80.8 -77.4 -15.0 22.5 85.4 41.0 9 16 A S S S- 0 0 5 1,-0.2 254,-0.4 47,-0.1 -1,-0.2 0.919 113.6 -4.4 -59.3 -53.2 24.7 82.5 42.0 10 17 A N > + 0 0 9 -3,-0.3 4,-2.1 44,-0.3 3,-0.4 -0.481 64.7 168.1-145.6 69.7 26.5 81.7 38.8 11 18 A P H > S+ 0 0 52 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.825 78.9 54.2 -53.9 -37.5 25.3 83.8 35.9 12 19 A E H > S+ 0 0 126 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.874 107.2 49.1 -66.9 -40.9 28.1 82.8 33.5 13 20 A L H > S+ 0 0 1 -3,-0.4 4,-2.6 2,-0.2 5,-0.2 0.967 111.4 51.2 -62.4 -47.4 27.5 79.0 33.9 14 21 A A H X S+ 0 0 0 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.885 110.8 48.1 -54.1 -43.1 23.8 79.7 33.2 15 22 A K H X S+ 0 0 105 -4,-2.1 4,-2.7 2,-0.2 -1,-0.2 0.944 110.1 51.1 -65.7 -46.8 24.7 81.7 30.0 16 23 A E H X S+ 0 0 61 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.917 112.3 47.4 -56.2 -47.5 27.0 79.0 28.8 17 24 A I H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 5,-0.3 0.925 111.1 50.9 -60.1 -47.2 24.3 76.4 29.3 18 25 A A H X>S+ 0 0 0 -4,-2.5 4,-2.3 -5,-0.2 5,-2.1 0.892 109.3 50.9 -58.7 -42.4 21.7 78.6 27.5 19 26 A D H <5S+ 0 0 90 -4,-2.7 -1,-0.2 3,-0.2 -2,-0.2 0.937 111.1 48.8 -61.4 -46.6 24.0 79.1 24.5 20 27 A I H <5S+ 0 0 85 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.914 115.6 41.0 -62.0 -48.0 24.6 75.3 24.2 21 28 A V H <5S- 0 0 28 -4,-2.4 -1,-0.2 -5,-0.1 -2,-0.2 0.818 115.7-117.0 -72.4 -28.3 20.9 74.3 24.4 22 29 A G T <5 + 0 0 60 -4,-2.3 2,-0.3 1,-0.3 -3,-0.2 0.860 68.1 114.3 99.4 38.6 20.0 77.2 22.1 23 30 A V < - 0 0 44 -5,-2.1 2,-0.4 -6,-0.1 -1,-0.3 -0.893 61.9-118.3-134.9 162.8 17.7 79.6 24.1 24 31 A Q - 0 0 172 -2,-0.3 -20,-0.5 1,-0.1 3,-0.1 -0.783 47.7 -99.3 -96.0 147.9 17.9 83.2 25.4 25 32 A L B -b 4 0A 53 -2,-0.4 -20,-0.2 1,-0.1 -1,-0.1 -0.369 50.6 -93.5 -67.5 146.0 17.6 83.3 29.2 26 33 A G - 0 0 13 -22,-3.4 2,-1.0 1,-0.1 -20,-0.3 -0.166 36.3-104.4 -59.4 157.7 14.1 84.2 30.4 27 34 A K + 0 0 118 -3,-0.1 16,-2.2 -22,-0.1 17,-0.5 -0.736 61.0 145.8 -86.4 101.4 13.0 87.8 31.1 28 35 A C E -F 42 0B 37 -2,-1.0 2,-0.5 14,-0.3 14,-0.2 -0.938 39.4-136.9-133.1 166.3 12.9 88.0 34.9 29 36 A S E -F 41 0B 40 12,-2.6 12,-1.5 -2,-0.3 2,-0.6 -0.983 10.7-169.5-127.7 122.6 13.7 90.8 37.3 30 37 A V E +F 40 0B 47 -2,-0.5 2,-0.3 10,-0.2 10,-0.2 -0.786 17.3 174.9-117.6 91.4 15.7 90.3 40.5 31 38 A T E -F 39 0B 58 8,-2.6 8,-3.3 -2,-0.6 2,-0.5 -0.693 20.5-159.3 -93.5 142.0 15.4 93.5 42.6 32 39 A R E -F 38 0B 136 -2,-0.3 6,-0.2 6,-0.2 5,-0.1 -0.993 21.0-143.7-120.4 116.2 16.8 93.9 46.1 33 40 A F > - 0 0 93 4,-2.9 3,-1.7 -2,-0.5 6,-0.0 -0.355 30.1 -97.3 -72.1 171.0 15.0 96.8 47.8 34 41 A S T 3 S+ 0 0 139 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.843 121.3 57.8 -63.6 -31.5 17.0 99.1 50.2 35 42 A D T 3 S- 0 0 117 1,-0.1 -1,-0.3 2,-0.0 -2,-0.0 0.458 123.8 -99.0 -78.0 3.1 15.9 97.3 53.4 36 43 A G S < S+ 0 0 27 -3,-1.7 -2,-0.1 1,-0.3 -1,-0.1 0.269 78.3 134.3 102.2 -12.5 17.3 94.0 52.1 37 44 A E - 0 0 121 -5,-0.1 -4,-2.9 1,-0.1 2,-0.4 -0.391 45.3-137.2 -73.1 153.4 14.2 92.3 50.8 38 45 A V E -F 32 0B 28 -6,-0.2 2,-0.4 -2,-0.1 -6,-0.2 -0.862 16.1-170.9-111.8 138.8 14.2 90.6 47.4 39 46 A Q E -F 31 0B 89 -8,-3.3 -8,-2.6 -2,-0.4 2,-0.4 -0.977 3.9-166.6-134.5 125.7 11.6 90.8 44.6 40 47 A I E -F 30 0B 5 -2,-0.4 2,-0.4 -10,-0.2 -10,-0.2 -0.818 5.4-174.3 -99.8 143.2 11.5 88.7 41.5 41 48 A N E -F 29 0B 75 -12,-1.5 -12,-2.6 -2,-0.4 2,-0.8 -0.981 24.6-132.7-138.4 126.1 9.1 89.7 38.7 42 49 A I E -F 28 0B 34 -2,-0.4 -14,-0.3 -14,-0.2 4,-0.1 -0.791 16.1-158.6 -80.5 113.5 8.7 87.4 35.6 43 50 A E + 0 0 105 -16,-2.2 2,-0.3 -2,-0.8 -15,-0.2 0.419 69.7 40.4 -78.1 4.3 9.0 89.9 32.8 44 51 A E S S- 0 0 54 -17,-0.5 2,-0.2 0, 0.0 -18,-0.0 -0.979 94.8 -90.9-146.8 152.5 7.2 87.6 30.3 45 52 A S + 0 0 98 -2,-0.3 34,-0.1 1,-0.1 -2,-0.1 -0.478 38.3 172.9 -65.2 128.4 4.1 85.2 30.3 46 53 A I > + 0 0 3 32,-0.4 3,-2.5 -2,-0.2 35,-0.5 0.176 22.9 147.6-122.3 15.5 5.3 81.7 31.1 47 54 A R T 3 S+ 0 0 169 1,-0.3 33,-0.2 33,-0.1 32,-0.1 -0.322 75.9 6.0 -57.2 116.6 1.9 80.2 31.3 48 55 A G T 3 S+ 0 0 38 31,-2.3 -1,-0.3 1,-0.3 2,-0.2 0.314 103.6 128.7 88.3 -2.0 2.0 76.6 30.2 49 56 A C < - 0 0 20 -3,-2.5 32,-3.0 30,-0.2 33,-1.4 -0.470 63.1-125.1 -89.3 151.0 5.8 76.6 29.9 50 57 A D E -ac 2 82A 22 -49,-2.1 -47,-2.2 31,-0.2 2,-0.4 -0.874 36.5-158.9 -91.4 117.5 8.3 74.2 31.3 51 58 A C E -ac 3 83A 0 31,-2.6 33,-3.0 -2,-0.7 2,-0.4 -0.886 11.9-163.6-106.4 133.5 10.7 76.4 33.3 52 59 A Y E -ac 4 84A 6 -49,-2.8 -47,-2.6 -2,-0.4 2,-0.5 -0.889 5.6-160.2-112.2 137.1 14.2 75.6 34.3 53 60 A I E -ac 5 85A 0 31,-2.2 33,-3.1 -2,-0.4 2,-0.7 -0.989 5.2-152.6-120.3 126.6 16.0 77.6 37.0 54 61 A I E +ac 6 86A 3 -49,-2.5 -47,-1.4 -2,-0.5 2,-0.3 -0.889 33.8 143.6-102.6 114.7 19.8 77.6 37.2 55 62 A Q - 0 0 0 31,-2.3 2,-0.4 -2,-0.7 34,-0.1 -0.930 34.7-158.8-155.5 124.8 21.1 78.2 40.7 56 63 A S - 0 0 0 -2,-0.3 2,-0.7 31,-0.2 34,-0.2 -0.779 25.7-134.3 -93.1 143.5 23.9 77.0 42.8 57 64 A T + 0 0 1 32,-2.8 4,-0.1 -2,-0.4 2,-0.1 -0.412 58.0 138.7 -97.6 58.0 23.3 77.6 46.5 58 65 A S - 0 0 10 -2,-0.7 6,-0.3 1,-0.2 7,-0.1 -0.348 49.3 -3.2 -93.1 177.8 26.8 79.0 47.1 59 66 A D S S+ 0 0 137 1,-0.3 -1,-0.2 -2,-0.1 0, 0.0 -0.107 134.0 30.9 -46.9 120.7 28.0 81.9 49.2 60 67 A P S >> S+ 0 0 62 0, 0.0 4,-2.3 0, 0.0 3,-0.7 0.333 82.4 178.1 -86.5 119.2 25.8 83.5 50.5 61 68 A V H 3> S+ 0 0 29 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.884 76.6 52.6 -53.2 -42.6 23.8 80.3 50.7 62 69 A N H 3> S+ 0 0 97 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.803 110.5 46.5 -69.2 -29.8 20.8 81.9 52.5 63 70 A E H <> S+ 0 0 66 -3,-0.7 4,-2.4 2,-0.2 5,-0.2 0.930 115.3 46.8 -73.8 -44.8 20.4 84.6 49.9 64 71 A H H X S+ 0 0 17 -4,-2.3 4,-1.5 -6,-0.3 -2,-0.2 0.875 112.1 51.2 -64.2 -36.0 20.7 82.2 47.0 65 72 A I H X S+ 0 0 15 -4,-2.9 4,-2.1 -5,-0.2 -1,-0.2 0.930 112.2 45.7 -68.0 -44.7 18.3 79.8 48.7 66 73 A M H X S+ 0 0 96 -4,-1.6 4,-2.7 2,-0.2 5,-0.3 0.891 110.2 51.2 -68.2 -40.1 15.7 82.5 49.3 67 74 A E H X S+ 0 0 8 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.892 111.5 50.3 -67.4 -30.1 15.8 84.0 45.8 68 75 A L H X S+ 0 0 0 -4,-1.5 4,-2.0 -5,-0.2 -1,-0.2 0.916 112.8 45.2 -70.1 -43.6 15.4 80.6 44.3 69 76 A L H X S+ 0 0 20 -4,-2.1 4,-1.7 2,-0.2 -2,-0.2 0.884 112.8 49.8 -67.2 -39.7 12.4 79.8 46.5 70 77 A I H X S+ 0 0 51 -4,-2.7 4,-2.0 2,-0.2 -1,-0.2 0.857 110.4 51.6 -67.2 -33.4 10.8 83.2 45.9 71 78 A M H X S+ 0 0 0 -4,-1.8 4,-2.2 -5,-0.3 -2,-0.2 0.917 107.6 51.2 -70.8 -40.7 11.3 82.7 42.1 72 79 A V H X S+ 0 0 0 -4,-2.0 4,-2.7 1,-0.2 5,-0.2 0.875 109.0 53.0 -60.3 -38.0 9.6 79.2 42.2 73 80 A D H X S+ 0 0 52 -4,-1.7 4,-2.7 2,-0.2 -1,-0.2 0.932 108.6 48.2 -63.7 -45.7 6.7 80.8 44.1 74 81 A A H X S+ 0 0 25 -4,-2.0 4,-0.7 2,-0.2 -2,-0.2 0.897 114.6 45.9 -63.0 -40.1 6.3 83.5 41.3 75 82 A L H ><>S+ 0 0 0 -4,-2.2 5,-1.7 2,-0.2 3,-0.6 0.913 112.4 50.2 -70.8 -42.0 6.4 80.9 38.5 76 83 A K H ><5S+ 0 0 96 -4,-2.7 3,-1.5 1,-0.3 -2,-0.2 0.962 114.1 45.3 -60.9 -46.0 4.0 78.6 40.3 77 84 A R H 3<5S+ 0 0 172 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.2 0.599 108.5 57.4 -72.6 -14.6 1.6 81.5 40.9 78 85 A A T <<5S- 0 0 34 -4,-0.7 -32,-0.4 -3,-0.6 -1,-0.3 0.074 121.3-106.6-100.7 17.8 2.1 82.6 37.2 79 86 A S T < 5 + 0 0 57 -3,-1.5 -31,-2.3 -32,-0.1 -30,-0.2 0.869 49.9 179.2 60.4 49.3 0.9 79.1 36.0 80 87 A A < - 0 0 19 -5,-1.7 -30,-0.2 -33,-0.2 -33,-0.1 -0.404 29.4-136.7 -72.9 151.0 4.1 77.5 34.8 81 88 A K S S+ 0 0 145 -32,-3.0 2,-0.3 -35,-0.5 -31,-0.2 0.934 83.7 0.6 -75.7 -47.5 3.6 74.0 33.6 82 89 A T E -c 50 0A 27 -33,-1.4 -31,-2.6 -3,-0.0 2,-0.5 -0.965 58.1-150.5-139.7 151.8 6.7 72.7 35.4 83 90 A I E -c 51 0A 6 -2,-0.3 36,-3.7 34,-0.2 37,-1.1 -0.905 22.0-175.0-126.7 98.2 9.3 74.2 37.6 84 91 A N E -cd 52 120A 4 -33,-3.0 -31,-2.2 -2,-0.5 2,-0.5 -0.850 12.1-148.5-101.6 122.8 12.6 72.3 37.1 85 92 A I E -cd 53 121A 0 35,-3.2 37,-2.3 -2,-0.5 2,-0.6 -0.801 6.9-164.4-100.5 126.1 15.5 73.2 39.3 86 93 A V E -cd 54 122A 0 -33,-3.1 -31,-2.3 -2,-0.5 37,-0.2 -0.935 11.1-177.1-106.8 116.7 19.1 72.8 38.1 87 94 A I E + d 0 123A 1 35,-3.0 37,-0.9 -2,-0.6 -31,-0.2 -0.857 15.8 177.8-119.8 97.1 21.5 72.9 41.0 88 95 A P S S+ 0 0 0 0, 0.0 2,-0.4 0, 0.0 -1,-0.2 0.906 82.1 25.9 -63.0 -42.3 25.2 72.8 40.1 89 96 A Y S S- 0 0 11 172,-0.2 -32,-2.8 -34,-0.1 2,-0.9 -0.984 73.0-151.7-127.5 126.0 26.3 73.1 43.8 90 97 A Y > - 0 0 4 -2,-0.4 3,-1.0 34,-0.3 37,-0.3 -0.806 16.8-153.1 -98.4 98.7 24.1 72.0 46.6 91 98 A G T 3 S+ 0 0 3 -2,-0.9 -33,-0.1 1,-0.2 -2,-0.0 -0.311 76.8 30.1 -67.1 157.6 24.8 74.0 49.7 92 99 A Y T > S+ 0 0 54 1,-0.1 3,-1.5 -35,-0.1 14,-0.4 0.534 78.8 129.2 67.6 12.2 24.2 72.6 53.2 93 100 A A T < + 0 0 2 -3,-1.0 -2,-0.1 1,-0.3 3,-0.1 0.711 65.0 61.1 -69.4 -20.6 24.9 69.2 51.8 94 101 A R T 3 S+ 0 0 97 1,-0.2 2,-1.1 2,-0.1 -1,-0.3 0.627 88.1 74.4 -80.5 -12.7 27.4 68.6 54.6 95 102 A Q < + 0 0 75 -3,-1.5 11,-2.6 1,-0.2 12,-0.5 -0.603 63.1 122.9 -94.3 66.9 24.5 69.0 57.1 96 103 A D + 0 0 0 -2,-1.1 346,-0.4 9,-0.2 2,-0.3 0.222 66.8 28.0-113.6 5.5 23.2 65.5 56.1 97 104 A R 0 0 94 6,-0.2 8,-0.1 -3,-0.2 342,-0.1 -0.980 360.0 360.0-158.4 160.8 23.1 63.7 59.4 98 105 A K 0 0 88 340,-0.4 352,-0.1 -2,-0.3 6,-0.1 -0.861 360.0 360.0 -92.6 360.0 22.8 64.6 63.1 99 ! 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 0.0 100 108 A S 0 0 75 0, 0.0 -2,-0.1 0, 0.0 505,-0.0 0.000 360.0 360.0 360.0 -20.6 24.7 66.4 68.6 101 109 A R + 0 0 193 504,-0.0 -3,-0.0 2,-0.0 504,-0.0 -0.363 360.0 140.1-121.8 54.1 21.5 68.6 68.7 102 110 A E - 0 0 100 1,-0.1 2,-0.1 2,-0.0 -4,-0.0 -0.452 51.7-120.1 -93.9 161.2 21.9 69.7 65.1 103 111 A P - 0 0 77 0, 0.0 2,-0.3 0, 0.0 -6,-0.2 -0.311 19.9-127.0 -87.7 176.2 19.5 70.2 62.2 104 112 A I >> + 0 0 29 1,-0.1 4,-1.9 -8,-0.1 3,-1.2 -0.721 34.5 175.4-122.3 74.2 19.7 68.2 59.0 105 113 A T H 3> S+ 0 0 19 -2,-0.3 4,-2.5 1,-0.3 5,-0.2 0.773 72.0 63.9 -54.0 -29.2 19.7 71.3 56.7 106 114 A A H 3> S+ 0 0 0 -11,-2.6 4,-1.2 -14,-0.4 -1,-0.3 0.889 110.2 41.4 -63.5 -34.1 20.2 69.2 53.6 107 115 A K H <> S+ 0 0 7 -3,-1.2 4,-2.4 -12,-0.5 -2,-0.2 0.880 110.8 55.5 -78.8 -40.3 16.8 67.7 54.3 108 116 A L H X S+ 0 0 94 -4,-1.9 4,-2.6 1,-0.2 -2,-0.2 0.920 108.2 48.9 -58.7 -46.9 15.2 71.0 55.4 109 117 A F H X S+ 0 0 4 -4,-2.5 4,-2.9 2,-0.2 -1,-0.2 0.905 108.9 53.1 -59.1 -45.9 16.1 72.6 52.1 110 118 A A H X S+ 0 0 0 -4,-1.2 4,-2.1 -5,-0.2 -2,-0.2 0.949 111.8 45.0 -54.8 -51.8 14.7 69.7 50.1 111 119 A N H X S+ 0 0 41 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.887 112.7 52.3 -60.1 -40.4 11.4 70.0 52.0 112 120 A L H X S+ 0 0 69 -4,-2.6 4,-2.3 -5,-0.2 -2,-0.2 0.944 107.5 52.1 -61.6 -43.8 11.4 73.8 51.5 113 121 A L H X>S+ 0 0 0 -4,-2.9 5,-2.0 1,-0.2 4,-0.7 0.891 111.7 44.8 -60.1 -46.4 12.0 73.3 47.7 114 122 A E H ><5S+ 0 0 50 -4,-2.1 3,-0.9 1,-0.2 -1,-0.2 0.906 111.5 53.7 -66.0 -41.8 9.0 71.0 47.3 115 123 A T H 3<5S+ 0 0 115 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.875 104.9 54.8 -59.7 -40.6 6.8 73.2 49.5 116 124 A A H 3<5S- 0 0 16 -4,-2.3 -1,-0.3 -5,-0.1 -2,-0.2 0.676 129.5 -93.0 -67.2 -22.6 7.6 76.2 47.3 117 125 A G T <<5 + 0 0 22 -3,-0.9 -3,-0.2 -4,-0.7 -34,-0.2 0.518 62.2 164.7 123.4 9.4 6.5 74.3 44.2 118 126 A A < - 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0 0 104 -5,-2.8 2,-0.2 -6,-0.2 -1,-0.2 -0.598 59.8 -81.6 -97.3 165.6 15.7 62.9 79.8 603 310 B S + 0 0 54 -2,-0.2 -1,-0.1 1,-0.2 -5,-0.1 -0.477 44.9 172.0 -68.8 124.5 18.9 63.4 77.8 604 311 B V > + 0 0 14 -2,-0.2 3,-1.9 2,-0.1 -1,-0.2 0.559 69.3 76.0-107.5 -14.2 19.6 60.3 75.7 605 312 B S T 3 S+ 0 0 34 1,-0.3 -1,-0.1 2,-0.1 -2,-0.1 0.864 84.4 71.0 -62.1 -30.2 22.5 61.8 73.7 606 313 B Y T 3 S+ 0 0 152 2,-0.1 -1,-0.3 0, 0.0 -2,-0.1 0.792 109.6 32.8 -50.2 -33.5 24.3 61.2 76.9 607 314 B L < 0 0 39 -3,-1.9 -2,-0.1 1,-0.1 -3,-0.1 0.548 360.0 360.0 -85.3-115.8 24.0 57.5 75.9 608 315 B F 0 0 68 -18,-0.2 -1,-0.1 -4,-0.1 -156,-0.1 -0.825 360.0 360.0 107.4 360.0 24.1 56.6 72.2