==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=31-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 20-JUL-06 2HRU . COMPND 2 MOLECULE: PHOSPHORIBOSYLFORMYLGLYCINAMIDINE SYNTHASE II; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOTOGA MARITIMA; . AUTHOR S.E.EALICK,M.MORAR . 581 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23011.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 416 71.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 21 3.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 107 18.4 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 . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 55 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 49 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 151 26.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 1.7 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 2 4 0 1 0 2 2 0 1 1 0 1 2 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 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 PARALLEL BRIDGES PER LADDER . 1 3 2 3 3 3 1 0 2 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 2 2 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 2 A K > 0 0 106 0, 0.0 4,-1.8 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -32.8 10.0 -22.3 124.1 2 3 A L H >> + 0 0 132 2,-0.3 4,-1.8 1,-0.3 3,-1.1 0.978 360.0 47.0 -55.7 -53.3 7.0 -20.4 122.7 3 4 A R H 3> S+ 0 0 196 1,-0.3 4,-1.0 2,-0.2 -1,-0.3 0.918 112.4 55.5 -48.0 -44.2 8.7 -17.3 124.3 4 5 A Y H 3> S+ 0 0 13 1,-0.2 4,-1.7 2,-0.2 -2,-0.3 0.689 102.5 50.5 -65.9 -29.1 11.7 -18.8 122.6 5 6 A L H S+ 0 0 57 -4,-3.9 5,-1.2 1,-0.2 4,-1.0 0.818 111.9 52.6 -54.8 -33.3 12.0 -15.2 114.9 10 11 A E H <5S+ 0 0 125 -4,-1.1 3,-0.3 -5,-0.3 -1,-0.2 0.980 113.8 40.7 -66.4 -53.5 12.9 -11.9 116.4 11 12 A K H <5S+ 0 0 132 -4,-3.2 -2,-0.2 1,-0.3 -3,-0.2 0.879 119.8 43.9 -62.4 -42.9 16.6 -12.5 116.1 12 13 A L H <5S- 0 0 24 -4,-3.8 -1,-0.3 2,-0.2 -2,-0.2 0.665 97.8-141.8 -77.2 -15.0 16.4 -14.1 112.7 13 14 A G T <5S+ 0 0 64 -4,-1.0 2,-0.2 -5,-0.4 -3,-0.2 0.942 75.4 54.0 51.7 48.6 14.0 -11.3 111.6 14 15 A R S - 0 0 58 1,-0.1 4,-2.2 -3,-0.1 5,-0.1 -0.247 37.0 -97.2 -76.3 177.0 13.5 -22.6 107.7 18 19 A F H > S+ 0 0 112 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.882 125.7 45.6 -62.3 -40.1 12.6 -26.3 108.5 19 20 A V H > S+ 0 0 21 2,-0.2 4,-3.2 289,-0.2 5,-0.3 0.973 111.2 48.2 -67.9 -58.3 16.3 -27.0 109.3 20 21 A E H > S+ 0 0 3 1,-0.3 4,-2.8 2,-0.2 5,-0.4 0.946 110.6 56.5 -45.0 -52.3 16.9 -24.0 111.5 21 22 A L H X S+ 0 0 62 -4,-2.2 4,-1.6 1,-0.2 -1,-0.3 0.883 111.8 39.9 -44.4 -53.3 13.7 -24.9 113.2 22 23 A Q H X S+ 0 0 53 -4,-1.8 4,-1.2 -3,-0.3 3,-0.3 0.964 113.0 55.3 -63.2 -54.7 15.1 -28.4 113.9 23 24 A A H X S+ 0 0 1 -4,-3.2 4,-1.8 1,-0.3 -2,-0.2 0.784 113.8 40.3 -49.8 -37.2 18.6 -27.2 114.8 24 25 A F H X S+ 0 0 0 -4,-2.8 4,-2.4 -5,-0.3 -1,-0.3 0.763 100.6 70.8 -86.7 -25.8 17.3 -24.8 117.4 25 26 A S H < S+ 0 0 51 -4,-1.6 -2,-0.2 -5,-0.4 -1,-0.2 0.815 114.1 30.6 -58.0 -27.4 14.7 -27.2 118.8 26 27 A V H >< S+ 0 0 24 -4,-1.2 3,-1.5 2,-0.1 6,-0.6 0.908 119.8 47.1 -94.2 -60.2 17.7 -29.0 120.1 27 28 A M H 3< S+ 0 0 4 -4,-1.8 -3,-0.2 1,-0.3 -2,-0.2 0.803 121.1 41.2 -52.7 -32.6 20.4 -26.4 120.8 28 29 A W T 3< S+ 0 0 8 -4,-2.4 -1,-0.3 -5,-0.1 7,-0.2 0.458 90.8 107.1 -97.0 -3.8 17.7 -24.2 122.6 29 30 A S S X> S- 0 0 43 -3,-1.5 4,-3.3 -5,-0.2 3,-1.0 -0.486 87.1-105.1 -75.5 148.7 15.9 -27.0 124.5 30 31 A E H 3> S+ 0 0 34 1,-0.2 4,-2.4 2,-0.2 -1,-0.1 0.859 117.4 58.7 -37.8 -57.5 16.5 -27.2 128.2 31 32 A H H 34 S+ 0 0 96 1,-0.2 -1,-0.2 2,-0.2 427,-0.1 0.858 121.3 24.0 -42.7 -51.4 18.8 -30.3 127.9 32 33 A C H <4 S+ 0 0 24 -3,-1.0 -1,-0.2 -6,-0.6 -2,-0.2 0.740 130.3 43.1 -89.5 -24.9 21.3 -28.5 125.6 33 34 A G H < S- 0 0 8 -4,-3.3 286,-0.3 -7,-0.2 -3,-0.2 0.884 74.5-153.4 -91.5 -43.6 20.6 -24.9 126.6 34 35 A Y >X + 0 0 51 -4,-2.4 4,-2.6 -5,-0.3 3,-0.9 0.889 28.8 164.5 67.4 41.0 20.2 -24.7 130.4 35 36 A S T 34 S+ 0 0 1 1,-0.2 287,-3.2 2,-0.2 4,-0.2 0.674 75.0 42.1 -63.5 -19.2 18.0 -21.6 130.1 36 37 A H T 34 S+ 0 0 17 285,-0.2 -1,-0.2 -6,-0.1 4,-0.2 0.506 123.6 35.0-104.2 -9.6 16.8 -22.0 133.7 37 38 A T T <> S+ 0 0 0 -3,-0.9 4,-2.8 2,-0.1 5,-0.3 0.558 85.9 92.6-120.9 -15.8 20.2 -22.8 135.2 38 39 A K H X S+ 0 0 45 -4,-2.6 4,-2.5 1,-0.2 5,-0.1 0.910 97.8 38.5 -45.1 -53.9 22.8 -20.8 133.3 39 40 A K H > S+ 0 0 51 283,-0.3 4,-1.0 1,-0.2 -1,-0.2 0.927 116.0 49.6 -65.9 -49.2 22.5 -17.9 135.8 40 41 A Y H 4 S+ 0 0 9 -4,-0.2 4,-0.4 1,-0.2 -1,-0.2 0.791 114.6 48.7 -60.9 -29.4 22.3 -20.1 138.9 41 42 A I H >< S+ 0 0 55 -4,-2.8 3,-2.3 2,-0.2 -2,-0.2 0.945 100.7 58.9 -76.4 -52.5 25.3 -22.0 137.7 42 43 A R H 3< S+ 0 0 136 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.764 101.3 63.1 -47.4 -25.1 27.6 -19.1 136.8 43 44 A R T 3< S+ 0 0 86 -4,-1.0 -1,-0.3 -5,-0.1 -2,-0.2 0.781 82.1 96.1 -71.9 -31.8 27.1 -18.2 140.5 44 45 A L S < S- 0 0 7 -3,-2.3 2,-0.2 -4,-0.4 399,-0.1 -0.346 87.4-104.9 -66.1 140.5 28.7 -21.4 141.8 45 46 A P - 0 0 43 0, 0.0 408,-2.8 0, 0.0 -1,-0.1 -0.484 46.4-160.2 -64.6 128.0 32.4 -21.3 142.8 46 47 A K + 0 0 88 -2,-0.2 2,-0.3 406,-0.2 408,-0.2 -0.317 13.4 178.6-102.3-172.2 34.4 -23.1 140.0 47 48 A T + 0 0 51 406,-0.4 2,-0.8 407,-0.1 8,-0.2 -0.933 43.5 16.8 176.8 159.1 37.8 -24.7 139.7 48 49 A G S S- 0 0 54 -2,-0.3 8,-0.2 1,-0.1 2,-0.1 -0.602 103.1 -59.2 76.3-107.5 40.3 -26.6 137.6 49 50 A F - 0 0 70 -2,-0.8 6,-0.6 6,-0.3 2,-0.4 -0.480 55.3-159.7-178.5 92.9 39.4 -26.3 133.9 50 51 A E B +A 54 0A 105 4,-0.2 4,-0.2 1,-0.1 405,-0.1 -0.699 30.4 140.0 -89.9 136.0 36.0 -27.6 132.9 51 52 A G S S- 0 0 25 2,-1.1 3,-0.1 -2,-0.4 -1,-0.1 0.224 90.3 -17.7-129.8 -99.1 35.2 -28.4 129.3 52 53 A N S S+ 0 0 17 1,-0.3 2,-0.2 41,-0.2 44,-0.1 0.189 145.8 6.8 -98.1 14.3 33.1 -31.5 128.8 53 54 A A S S- 0 0 1 401,-0.1 -2,-1.1 -4,-0.1 -1,-0.3 -0.754 92.3 -92.6 172.6 140.7 34.0 -32.5 132.3 54 55 A G E -AB 50 66A 0 12,-1.2 12,-2.4 -4,-0.2 2,-0.6 -0.460 34.2-153.8 -69.2 134.8 35.9 -30.8 135.1 55 56 A V E - B 0 65A 6 -6,-0.6 2,-0.4 10,-0.2 -6,-0.3 -0.952 10.8-166.2-113.9 118.0 39.6 -31.6 135.2 56 57 A V E - B 0 64A 10 8,-3.1 8,-2.2 -2,-0.6 2,-0.3 -0.881 23.2-121.2-109.3 132.5 41.2 -31.3 138.7 57 58 A N E + B 0 63A 71 -2,-0.4 6,-0.3 6,-0.2 -9,-0.0 -0.538 29.6 179.5 -69.3 126.6 44.9 -31.2 139.3 58 59 A L S S- 0 0 6 4,-2.3 5,-0.2 -2,-0.3 -1,-0.2 0.619 76.0 -12.7-106.1 -16.4 45.8 -34.2 141.6 59 60 A D S S- 0 0 51 3,-1.2 4,-0.1 318,-0.1 -2,-0.1 0.251 94.8 -93.4-170.3 22.8 49.6 -33.8 142.0 60 61 A D S S+ 0 0 140 2,-0.4 3,-0.1 1,-0.2 -3,-0.0 0.320 124.4 52.7 74.2 -11.9 50.9 -31.3 139.5 61 62 A Y S S+ 0 0 102 1,-0.4 98,-2.7 98,-0.1 99,-0.4 0.675 110.9 35.3-116.2 -47.8 51.7 -34.1 137.1 62 63 A Y E - C 0 158A 64 96,-0.2 -4,-2.3 97,-0.1 -3,-1.2 -0.735 63.6-166.6-107.6 158.1 48.4 -36.0 136.8 63 64 A S E -BC 57 157A 6 94,-2.1 94,-2.5 -2,-0.3 2,-0.5 -0.989 17.1-132.0-141.8 145.3 44.9 -34.7 136.9 64 65 A V E -BC 56 156A 0 -8,-2.2 -8,-3.1 -2,-0.3 2,-0.5 -0.859 16.7-157.9-101.4 133.4 41.6 -36.5 137.3 65 66 A A E +BC 55 155A 0 90,-2.4 90,-2.3 -2,-0.5 2,-0.3 -0.945 25.7 152.4-111.4 128.1 38.8 -35.7 134.9 66 67 A F E +BC 54 154A 0 -12,-2.4 -12,-1.2 -2,-0.5 2,-0.3 -0.979 16.8 169.3-152.9 162.9 35.2 -36.4 135.9 67 68 A K E - C 0 153A 19 86,-1.5 86,-1.9 -2,-0.3 2,-0.5 -0.932 26.2-132.8-169.3 152.4 31.5 -35.4 135.4 68 69 A I E - C 0 152A 0 -2,-0.3 84,-0.3 84,-0.2 2,-0.2 -0.883 26.8-177.1-124.3 102.8 28.1 -36.8 136.4 69 70 A E E - C 0 151A 39 82,-1.5 82,-1.7 -2,-0.5 2,-0.3 -0.500 15.8-132.5 -94.9 162.7 25.5 -37.0 133.7 70 71 A S E - C 0 150A 24 80,-0.2 80,-0.2 -2,-0.2 388,-0.1 -0.789 17.2-173.0-114.2 160.2 21.9 -38.1 134.0 71 72 A A > + 0 0 7 78,-1.5 4,-0.9 -2,-0.3 15,-0.1 -0.348 38.4 135.9-142.6 51.2 19.7 -40.4 131.8 72 73 A N H > S+ 0 0 5 2,-0.2 4,-1.6 3,-0.2 5,-0.1 0.939 71.6 38.1 -69.9 -51.7 16.3 -39.9 133.4 73 74 A H H > S+ 0 0 100 2,-0.2 4,-1.9 1,-0.2 5,-0.2 0.930 119.2 45.8 -69.4 -47.4 14.0 -39.6 130.4 74 75 A P H > S+ 0 0 59 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.767 115.7 48.9 -68.8 -22.1 15.7 -42.2 128.2 75 76 A S H < S+ 0 0 1 -4,-0.9 -2,-0.2 7,-0.2 7,-0.2 0.782 105.0 57.5 -83.9 -30.4 15.8 -44.6 131.2 76 77 A A H < S+ 0 0 47 -4,-1.6 -3,-0.1 71,-0.2 -1,-0.1 0.941 114.6 38.6 -64.2 -45.8 12.1 -44.0 132.0 77 78 A I H < S+ 0 0 147 -4,-1.9 -2,-0.2 1,-0.3 -1,-0.1 0.997 137.3 10.9 -65.1 -66.6 11.2 -45.1 128.6 78 79 A E X - 0 0 80 -4,-1.7 4,-0.7 -5,-0.2 -1,-0.3 -0.966 66.0-166.3-116.2 122.3 13.7 -47.9 128.2 79 80 A P H > S+ 0 0 34 0, 0.0 4,-2.8 0, 0.0 5,-0.3 0.973 85.5 41.1 -74.2 -52.9 15.6 -49.0 131.3 80 81 A Y H > S+ 0 0 85 1,-0.2 4,-2.1 2,-0.2 5,-0.3 0.983 122.9 37.7 -58.9 -62.1 18.4 -51.1 129.8 81 82 A N H > S+ 0 0 58 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.777 116.3 57.5 -61.1 -26.3 19.1 -48.9 126.7 82 83 A G H X S+ 0 0 1 -4,-0.7 4,-1.8 -8,-0.2 3,-0.3 0.991 111.2 38.3 -66.1 -61.1 18.6 -45.9 128.9 83 84 A A H >X S+ 0 0 0 -4,-2.8 4,-2.2 1,-0.2 3,-0.9 0.967 116.1 50.3 -52.8 -64.1 21.2 -46.8 131.5 84 85 A A H 3X S+ 0 0 9 -4,-2.1 4,-1.7 1,-0.3 -1,-0.2 0.776 110.8 50.2 -47.0 -36.2 23.8 -48.2 129.1 85 86 A T H 3X S+ 0 0 35 -4,-1.3 4,-2.8 -5,-0.3 -1,-0.3 0.851 106.5 54.0 -74.7 -34.3 23.6 -45.1 126.9 86 87 A G H X S+ 0 0 6 -4,-2.8 4,-2.0 2,-0.2 3,-0.5 0.933 111.9 49.8 -67.0 -52.9 27.9 -40.7 126.8 90 91 A I H 3X S+ 0 0 1 -4,-2.1 4,-1.9 1,-0.3 5,-0.2 0.898 109.6 54.5 -57.8 -38.6 29.3 -39.5 130.1 91 92 A I H 3X S+ 0 0 0 -4,-1.4 4,-2.4 -5,-0.3 -1,-0.3 0.863 106.0 53.3 -62.9 -32.9 32.3 -41.7 129.5 92 93 A R H <>S+ 0 0 0 -4,-1.9 5,-1.2 -5,-0.2 3,-1.1 0.894 114.0 50.2 -71.2 -38.2 35.5 -37.8 130.1 95 96 A L H ><5S+ 0 0 1 -4,-2.4 3,-2.7 1,-0.2 -2,-0.2 0.940 101.2 62.6 -63.6 -44.2 37.2 -39.2 127.1 96 97 A A T 3<5S+ 0 0 0 -4,-4.0 -1,-0.2 1,-0.3 -2,-0.2 0.603 96.1 61.0 -58.6 -11.1 36.9 -35.9 125.2 97 98 A M T < 5S- 0 0 0 -3,-1.1 66,-2.6 -4,-0.3 -1,-0.3 0.497 121.6-101.9 -95.4 -2.7 39.1 -34.2 127.8 98 99 A G T < 5S+ 0 0 7 -3,-2.7 2,-0.4 1,-0.3 60,-0.3 0.566 81.7 126.1 95.2 10.8 42.1 -36.4 127.1 99 100 A A < - 0 0 0 -5,-1.2 -1,-0.3 -4,-0.2 58,-0.2 -0.813 61.0-123.4-106.4 144.9 41.6 -38.7 130.1 100 101 A R E -D 156 0A 143 56,-2.1 56,-1.5 -2,-0.4 -35,-0.1 -0.748 36.9-109.2 -86.1 120.6 41.4 -42.5 130.0 101 102 A P E +D 155 0A 12 0, 0.0 54,-0.3 0, 0.0 3,-0.1 -0.280 47.7 163.4 -51.3 121.3 38.2 -43.7 131.7 102 103 A T E + 0 0 22 52,-3.4 2,-0.3 1,-0.3 53,-0.2 0.534 55.8 20.2-121.2 -10.6 39.1 -45.4 135.0 103 104 A A E -D 154 0A 0 51,-1.5 51,-1.8 27,-0.1 2,-0.4 -0.983 49.3-155.9-161.7 147.8 35.9 -45.6 137.0 104 105 A I E -D 153 0A 1 27,-1.6 30,-1.1 -2,-0.3 2,-0.5 -0.998 18.8-163.0-125.5 124.4 32.1 -45.5 136.6 105 106 A F E -De 152 134A 2 47,-3.8 47,-2.9 -2,-0.4 30,-0.3 -0.952 10.4-138.0-119.1 127.4 30.1 -44.5 139.7 106 107 A D + 0 0 3 28,-1.4 45,-0.2 -2,-0.5 2,-0.1 -0.361 23.9 173.1 -81.6 157.5 26.4 -45.1 140.1 107 108 A S + 0 0 0 28,-0.2 43,-3.2 -2,-0.1 2,-0.4 -0.532 17.1 173.1-162.4 83.0 23.5 -43.1 141.5 108 109 A L E -fG 137 149B 1 28,-2.5 30,-2.7 41,-0.2 2,-0.4 -0.788 12.8-173.9-100.0 139.4 20.2 -44.8 141.0 109 110 A H E +fG 138 148B 1 39,-2.3 39,-2.6 -2,-0.4 2,-0.3 -0.949 25.8 150.4-133.7 110.6 16.9 -43.5 142.4 110 111 A M E -f 139 0B 0 28,-2.2 30,-3.3 -2,-0.4 34,-0.2 -0.942 59.4-123.4-144.1 165.4 13.9 -45.8 141.9 111 112 A S S S- 0 0 34 32,-0.5 2,-0.3 -2,-0.3 30,-0.1 0.660 102.7 -11.7 -75.0 -19.5 10.6 -47.1 143.1 112 113 A R S S- 0 0 145 31,-0.1 2,-1.3 28,-0.1 28,-0.1 -0.921 95.5 -66.1-163.4-179.3 12.2 -50.6 143.0 113 114 A I - 0 0 23 -2,-0.3 2,-1.0 -3,-0.1 3,-0.1 -0.718 49.1-160.8 -83.4 96.0 15.3 -52.4 141.8 114 115 A I >> - 0 0 17 -2,-1.3 4,-1.5 1,-0.2 3,-0.9 -0.705 4.9-159.3 -81.1 106.7 14.8 -52.1 138.1 115 116 A D H 3> S+ 0 0 58 -2,-1.0 4,-2.0 1,-0.2 5,-0.3 0.809 86.7 66.8 -57.4 -27.9 17.1 -54.9 136.8 116 117 A G H 3> S+ 0 0 21 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.898 102.7 42.6 -60.5 -41.3 17.1 -53.1 133.5 117 118 A I H <> S+ 0 0 0 -3,-0.9 4,-1.5 2,-0.2 -1,-0.2 0.892 113.6 50.4 -72.9 -41.9 19.0 -50.1 134.8 118 119 A I H X S+ 0 0 0 -4,-1.5 4,-2.1 2,-0.2 -2,-0.2 0.856 116.8 40.2 -67.1 -35.9 21.5 -52.0 136.8 119 120 A E H X S+ 0 0 57 -4,-2.0 4,-2.8 2,-0.2 5,-0.4 0.944 107.8 58.8 -80.1 -47.4 22.4 -54.3 134.1 120 121 A G H X S+ 0 0 0 -4,-2.1 4,-1.3 -5,-0.3 5,-0.2 0.877 114.5 42.7 -45.5 -39.1 22.4 -51.8 131.2 121 122 A I H X S+ 0 0 0 -4,-1.5 4,-2.4 2,-0.2 -1,-0.2 0.940 116.7 44.0 -73.1 -51.3 25.1 -50.1 133.4 122 123 A A H X S+ 0 0 0 -4,-2.1 4,-3.1 2,-0.2 5,-0.3 0.970 114.7 48.7 -60.3 -56.5 27.1 -53.2 134.4 123 124 A D H X S+ 0 0 42 -4,-2.8 4,-3.0 1,-0.2 5,-0.2 0.937 115.9 41.4 -47.0 -62.9 27.1 -54.8 130.9 124 125 A Y H X S+ 0 0 6 -4,-1.3 4,-1.3 -5,-0.4 -1,-0.2 0.903 114.6 53.3 -54.2 -46.3 28.2 -51.6 129.1 125 126 A G H X>S+ 0 0 0 -4,-2.4 5,-2.4 1,-0.2 4,-0.7 0.921 113.0 43.5 -57.7 -44.0 30.7 -50.8 131.8 126 127 A N H ><5S+ 0 0 67 -4,-3.1 3,-0.6 1,-0.2 -2,-0.2 0.899 108.6 58.0 -69.7 -39.6 32.2 -54.2 131.5 127 128 A S H 3<5S+ 0 0 62 -4,-3.0 -1,-0.2 -5,-0.3 -2,-0.2 0.696 108.6 44.9 -65.8 -19.9 32.3 -54.3 127.8 128 129 A I H 3<5S- 0 0 7 -4,-1.3 -1,-0.2 -3,-0.4 -2,-0.2 0.589 115.8-113.3 -96.4 -14.4 34.4 -51.1 127.5 129 130 A G T <<5S+ 0 0 53 -4,-0.7 -3,-0.2 -3,-0.6 -2,-0.1 0.815 73.0 130.8 87.1 32.8 36.8 -52.3 130.2 130 131 A V < - 0 0 6 -5,-2.4 -1,-0.2 -6,-0.2 -2,-0.2 -0.937 50.9-134.3-124.6 112.1 35.9 -49.7 132.8 131 132 A P - 0 0 46 0, 0.0 -27,-1.6 0, 0.0 2,-0.9 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