==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 17-DEC-01 1GRV . COMPND 2 MOLECULE: HYPOXANTHINE PHOSPHORIBOSYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR L.W.GUDDAT,S.VOS,J.L.MARTIN,D.T.KEOUGH,J.DE JERSEY . 337 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15048.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 232 68.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 58 17.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 38 11.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 4 1.2 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 . 34 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 20 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 70 20.8 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+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 0 0 0 0 2 2 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 2 2 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 PARALLEL BRIDGES PER LADDER . 4 4 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 ANTIPARALLEL BRIDGES PER LADDER . 2 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 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 5 A M 0 0 171 0, 0.0 2,-0.5 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -48.6 -28.1 77.5 73.1 2 6 A K + 0 0 67 166,-0.2 166,-3.3 165,-0.0 2,-0.2 -0.494 360.0 124.5 -61.8 112.8 -29.7 79.0 76.2 3 7 A H E -A 167 0A 34 -2,-0.5 2,-0.3 164,-0.3 164,-0.2 -0.844 50.8-124.2-155.8-170.1 -27.8 77.3 79.1 4 8 A T E -A 166 0A 70 162,-1.9 162,-5.0 -2,-0.2 2,-0.5 -0.948 17.1-139.3-144.9 159.3 -25.7 77.3 82.2 5 9 A V E -A 165 0A 31 -2,-0.3 2,-0.3 160,-0.3 160,-0.2 -0.984 19.7-177.3-128.9 122.9 -22.4 75.7 83.2 6 10 A E E -A 164 0A 104 158,-2.9 158,-4.3 -2,-0.5 2,-0.2 -0.900 37.0 -92.3-120.6 151.5 -21.7 74.1 86.5 7 11 A V E +A 163 0A 82 -2,-0.3 156,-0.3 156,-0.3 -1,-0.0 -0.379 43.0 165.8 -60.9 125.8 -18.6 72.5 88.0 8 12 A M E S+ 0 0 52 154,-2.7 155,-0.2 1,-0.3 -1,-0.2 0.787 77.5 17.0-104.9 -53.5 -18.3 68.8 87.3 9 13 A I E S-A 162 0A 10 153,-2.3 153,-2.4 4,-0.0 -1,-0.3 -0.930 88.3-134.7-123.3 105.0 -14.6 68.2 88.1 10 14 A P > - 0 0 44 0, 0.0 4,-1.9 0, 0.0 3,-0.4 -0.160 21.3-110.4 -58.8 152.6 -13.1 71.0 90.2 11 15 A E H > S+ 0 0 80 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.830 114.2 56.4 -50.4 -42.8 -9.7 72.4 89.3 12 16 A A H > S+ 0 0 74 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.919 106.3 48.9 -60.5 -46.5 -8.0 70.9 92.4 13 17 A E H > S+ 0 0 105 -3,-0.4 4,-3.1 1,-0.2 5,-0.2 0.923 111.2 51.0 -59.5 -44.1 -9.0 67.4 91.7 14 18 A I H X S+ 0 0 0 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.918 110.7 48.0 -60.8 -44.0 -7.8 67.7 88.1 15 19 A K H X S+ 0 0 79 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.939 113.8 47.3 -62.0 -47.0 -4.4 69.0 89.2 16 20 A A H X S+ 0 0 63 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.954 112.2 48.5 -58.2 -54.0 -4.0 66.2 91.8 17 21 A R H X S+ 0 0 69 -4,-3.1 4,-2.6 1,-0.2 -1,-0.2 0.844 110.6 52.2 -57.3 -36.7 -5.0 63.5 89.3 18 22 A I H X S+ 0 0 3 -4,-2.2 4,-3.0 -5,-0.2 -1,-0.2 0.896 104.3 54.9 -69.0 -38.1 -2.6 64.9 86.7 19 23 A A H X S+ 0 0 19 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.910 110.4 49.0 -58.8 -39.2 0.2 64.9 89.2 20 24 A E H X S+ 0 0 67 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.954 109.5 48.1 -64.5 -53.4 -0.6 61.2 89.7 21 25 A L H X S+ 0 0 0 -4,-2.6 4,-3.2 1,-0.2 5,-0.3 0.912 108.1 59.7 -52.6 -42.2 -0.7 60.4 86.0 22 26 A G H X S+ 0 0 0 -4,-3.0 4,-2.3 1,-0.2 35,-0.4 0.929 106.6 44.4 -50.5 -52.0 2.6 62.3 85.9 23 27 A R H X S+ 0 0 139 -4,-1.9 4,-3.3 2,-0.2 5,-0.2 0.926 112.8 52.0 -59.4 -47.9 4.1 59.8 88.3 24 28 A Q H X S+ 0 0 66 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.931 111.5 45.3 -55.1 -51.8 2.6 56.8 86.5 25 29 A I H X S+ 0 0 0 -4,-3.2 4,-1.9 2,-0.2 -1,-0.2 0.899 114.7 49.3 -61.5 -40.2 4.0 57.9 83.1 26 30 A T H X S+ 0 0 19 -4,-2.3 4,-2.8 -5,-0.3 3,-0.3 0.961 110.4 49.2 -63.5 -51.3 7.4 58.6 84.7 27 31 A E H < S+ 0 0 117 -4,-3.3 4,-0.3 1,-0.2 -1,-0.2 0.908 112.3 51.3 -53.0 -44.0 7.5 55.3 86.4 28 32 A R H < S+ 0 0 148 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.823 123.4 24.0 -65.3 -37.5 6.6 53.6 83.2 29 33 A Y H >< S+ 0 0 22 -4,-1.9 3,-2.4 -3,-0.3 4,-0.5 0.544 87.8 103.2-109.3 -7.2 9.3 55.3 80.9 30 34 A K T 3< S+ 0 0 107 -4,-2.8 3,-0.2 1,-0.3 -1,-0.1 0.776 90.6 39.3 -47.0 -33.7 12.1 56.3 83.3 31 35 A D T 3 S+ 0 0 136 -4,-0.3 -1,-0.3 -5,-0.2 -2,-0.1 0.261 84.3 100.0-104.9 15.5 14.3 53.3 82.3 32 36 A S < - 0 0 32 -3,-2.4 -1,-0.2 2,-0.1 -2,-0.1 0.920 63.5-157.0 -65.1 -44.6 13.6 53.3 78.5 33 37 A G + 0 0 83 -4,-0.5 2,-0.3 1,-0.3 -1,-0.1 0.530 56.4 107.9 78.4 4.9 16.8 55.1 77.6 34 38 A S S S- 0 0 43 -5,-0.2 -1,-0.3 1,-0.1 -2,-0.1 -0.769 82.7 -87.0-111.4 159.2 15.3 56.2 74.3 35 39 A D - 0 0 91 -2,-0.3 51,-2.4 49,-0.2 2,-0.3 -0.332 46.4-153.0 -63.0 145.6 14.1 59.7 73.3 36 40 A M E -cd 60 86B 7 23,-0.6 25,-1.7 49,-0.2 2,-0.3 -0.905 14.2-176.2-123.2 152.1 10.6 60.4 74.3 37 41 A V E -cd 61 87B 2 49,-2.2 51,-2.2 -2,-0.3 2,-0.5 -0.953 17.7-146.5-151.0 126.5 8.0 62.7 72.9 38 42 A L E -cd 62 88B 0 23,-2.4 25,-2.7 -2,-0.3 2,-0.6 -0.826 18.6-157.4 -91.5 129.0 4.5 63.6 74.0 39 43 A V E -cd 63 89B 0 49,-2.5 51,-3.1 -2,-0.5 2,-0.3 -0.922 7.3-163.7-112.2 112.3 2.2 64.3 71.0 40 44 A G E -cd 64 90B 0 23,-3.1 25,-1.6 -2,-0.6 2,-0.7 -0.672 16.4-130.8 -94.4 151.7 -0.8 66.4 71.6 41 45 A L E > -c 65 0B 8 49,-1.3 4,-1.5 -2,-0.3 51,-0.2 -0.872 42.6-101.3-104.3 108.4 -3.8 66.7 69.3 42 46 A L T 4 S+ 0 0 22 23,-1.4 25,-0.4 -2,-0.7 2,-0.2 -0.366 86.4 9.9 -69.8 148.2 -4.8 70.4 68.7 43 47 A R T >4 S+ 0 0 33 23,-0.1 3,-2.2 189,-0.1 -1,-0.2 -0.849 123.9 46.5 -86.9 -40.5 -6.8 72.2 69.7 44 48 A G T 34 S+ 0 0 11 1,-0.3 4,-0.4 -2,-0.2 3,-0.4 0.591 109.9 49.4 -31.4 -38.1 -8.3 70.3 72.6 45 49 A S T 3X S+ 0 0 0 -4,-1.5 4,-2.6 1,-0.2 5,-0.3 0.381 73.7 101.9 -96.7 9.7 -5.2 69.1 74.4 46 50 A F H <> S+ 0 0 1 -3,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.908 90.8 39.1 -59.6 -38.8 -3.1 72.3 74.6 47 51 A M H > S+ 0 0 0 -3,-0.4 4,-2.1 2,-0.2 5,-0.2 0.932 116.9 46.6 -77.6 -45.7 -4.0 72.7 78.3 48 52 A F H > S+ 0 0 0 100,-0.4 4,-3.1 -4,-0.4 5,-0.2 0.893 114.7 51.2 -62.0 -37.4 -3.9 69.1 79.5 49 53 A M H X S+ 0 0 0 -4,-2.6 4,-2.9 2,-0.2 5,-0.3 0.975 106.4 52.6 -61.1 -55.7 -0.6 68.9 77.6 50 54 A A H X S+ 0 0 0 -4,-2.1 4,-0.5 -5,-0.3 -1,-0.2 0.857 117.9 37.7 -48.8 -43.1 0.8 71.9 79.3 51 55 A D H X S+ 0 0 12 -4,-2.1 4,-0.5 2,-0.2 3,-0.3 0.888 115.4 51.5 -80.0 -40.4 0.1 70.5 82.7 52 56 A L H >X S+ 0 0 0 -4,-3.1 3,-1.6 1,-0.2 4,-0.8 0.917 104.5 55.3 -64.8 -44.6 0.8 66.9 82.1 53 57 A C H 3< S+ 0 0 0 -4,-2.9 3,-0.3 1,-0.3 -1,-0.2 0.791 102.1 58.9 -62.4 -25.2 4.3 67.4 80.6 54 58 A R H 3< S+ 0 0 23 -4,-0.5 -1,-0.3 -5,-0.3 -2,-0.2 0.690 106.3 48.9 -75.1 -17.5 5.3 69.3 83.7 55 59 A E H << S+ 0 0 70 -3,-1.6 2,-0.8 -4,-0.5 -1,-0.2 0.566 87.8 96.9 -95.8 -12.1 4.5 66.3 85.8 56 60 A V < - 0 0 2 -4,-0.8 2,-0.5 -3,-0.3 4,-0.1 -0.711 60.6-160.1 -83.5 111.2 6.5 63.9 83.6 57 61 A Q + 0 0 140 -2,-0.8 2,-0.4 -35,-0.4 -1,-0.1 -0.103 60.5 88.1 -84.3 36.5 9.9 63.4 85.2 58 62 A V S S- 0 0 20 -2,-0.5 2,-0.3 -22,-0.0 -2,-0.1 -0.999 88.6-100.4-134.5 137.9 11.7 62.1 82.1 59 63 A S + 0 0 60 -2,-0.4 -23,-0.6 -29,-0.1 2,-0.3 -0.370 61.6 151.4 -58.3 115.3 13.5 64.3 79.5 60 64 A H E -c 36 0B 4 -2,-0.3 2,-0.3 -4,-0.1 269,-0.3 -0.834 42.3-118.8-138.2 176.1 11.1 64.5 76.5 61 65 A E E -c 37 0B 6 -25,-1.7 -23,-2.4 -2,-0.3 2,-0.5 -0.869 23.1-137.9-115.8 151.7 10.1 66.7 73.6 62 66 A V E +c 38 0B 0 -2,-0.3 2,-0.3 -25,-0.2 -23,-0.2 -0.954 30.5 161.6-115.1 129.7 6.6 68.1 73.2 63 67 A D E -c 39 0B 0 -25,-2.7 -23,-3.1 -2,-0.5 2,-0.3 -0.918 18.4-155.3-140.2 165.9 4.9 68.2 69.8 64 68 A F E +c 40 0B 0 -2,-0.3 2,-0.3 -25,-0.2 -23,-0.2 -0.911 9.6 177.2-137.8 165.1 1.4 68.6 68.3 65 69 A M E -c 41 0B 1 -25,-1.6 -23,-1.4 -2,-0.3 2,-0.4 -0.939 20.1-138.2-161.5 152.8 -0.4 67.7 65.1 66 70 A T E -G 76 0C 9 10,-2.1 10,-2.0 -2,-0.3 9,-1.5 -0.987 14.8-165.7-127.5 134.9 -4.0 68.2 64.2 67 71 A A E G 74 0C 24 -2,-0.4 7,-0.2 -25,-0.4 5,-0.0 -0.789 360.0 360.0-114.4 157.2 -6.3 65.8 62.4 68 72 A S 0 0 60 5,-2.8 -1,-0.0 -2,-0.3 0, 0.0 -0.479 360.0 360.0 -70.4 360.0 -9.7 66.2 60.7 69 ! 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 70 82 A R 0 0 264 0, 0.0 2,-0.0 0, 0.0 -2,-0.0 0.000 360.0 360.0 360.0 -48.7 -15.5 60.8 56.7 71 83 A D - 0 0 134 1,-0.1 2,-0.7 0, 0.0 -3,-0.0 -0.356 360.0-119.0 -62.5 146.2 -11.9 60.0 55.9 72 84 A L - 0 0 37 26,-0.1 2,-0.2 -5,-0.0 -1,-0.1 -0.793 37.5-172.9 -93.1 113.7 -9.4 61.0 58.6 73 85 A K - 0 0 118 -2,-0.7 -5,-2.8 1,-0.0 2,-0.8 -0.659 28.0-119.2-106.8 161.4 -6.9 63.6 57.3 74 86 A I E +G 67 0C 55 -7,-0.2 -7,-0.3 -2,-0.2 3,-0.2 -0.842 27.9 176.0 -99.5 100.8 -3.8 65.2 58.7 75 87 A L E S+ 0 0 111 -9,-1.5 2,-0.3 -2,-0.8 -8,-0.2 0.802 78.7 9.2 -74.7 -29.9 -4.4 69.0 58.9 76 88 A K E S-G 66 0C 21 -10,-2.0 -10,-2.1 -34,-0.1 -1,-0.3 -0.940 79.7-151.9-151.9 124.3 -1.0 69.6 60.6 77 89 A D - 0 0 61 -2,-0.3 -13,-0.2 -12,-0.2 -10,-0.0 -0.463 30.5 -79.0 -96.5 170.7 1.7 67.0 61.0 78 90 A L - 0 0 19 -2,-0.1 -1,-0.2 1,-0.1 -13,-0.1 -0.192 21.1-152.5 -63.0 155.9 4.4 66.5 63.6 79 91 A D S S+ 0 0 91 -15,-0.2 -1,-0.1 2,-0.1 2,-0.1 0.713 79.4 70.1 -97.9 -31.4 7.7 68.5 63.5 80 92 A E S S- 0 0 28 1,-0.0 2,-0.4 2,-0.0 -2,-0.1 -0.408 82.8-124.3 -85.0 159.8 9.5 65.8 65.2 81 93 A D - 0 0 130 -2,-0.1 -2,-0.1 1,-0.1 -1,-0.0 -0.879 19.9-169.9-100.6 136.3 10.4 62.3 63.9 82 94 A I > + 0 0 2 -2,-0.4 3,-2.7 25,-0.1 31,-0.6 0.492 37.3 131.2-107.0 -4.7 9.1 59.6 66.1 83 95 A R B 3 S+H 112 0D 143 1,-0.3 28,-0.2 29,-0.2 3,-0.1 -0.222 85.7 2.0 -52.1 129.6 10.9 56.6 64.6 84 96 A G T 3 S+ 0 0 40 27,-2.6 2,-0.3 1,-0.2 -1,-0.3 0.561 111.1 113.2 69.5 8.8 12.5 54.6 67.4 85 97 A K S < S- 0 0 32 -3,-2.7 29,-1.5 -51,-0.1 28,-1.0 -0.780 75.1-108.7-112.9 156.9 11.2 56.9 70.1 86 98 A D E -de 36 114B 7 -51,-2.4 -49,-2.2 -2,-0.3 2,-0.5 -0.727 40.5-162.7 -82.0 124.6 8.7 56.4 72.8 87 99 A V E -de 37 115B 0 27,-2.6 29,-2.0 -2,-0.5 2,-0.6 -0.936 14.5-169.8-116.8 131.1 5.5 58.3 71.9 88 100 A L E -de 38 116B 0 -51,-2.2 -49,-2.5 -2,-0.5 2,-0.4 -0.935 14.5-149.0-119.4 108.5 2.7 59.3 74.2 89 101 A I E -de 39 117B 0 27,-3.4 29,-2.9 -2,-0.6 2,-0.6 -0.643 16.5-154.1 -76.5 126.8 -0.4 60.7 72.4 90 102 A V E +de 40 118B 0 -51,-3.1 -49,-1.3 -2,-0.4 2,-0.3 -0.894 17.8 173.7-109.3 116.8 -2.0 63.2 74.7 91 103 A E E - e 0 119B 34 27,-2.6 29,-2.0 -2,-0.6 30,-0.2 -0.918 35.6-142.1-127.1 153.9 -5.7 63.9 74.5 92 104 A D E S- 0 0 16 -2,-0.3 29,-2.3 1,-0.3 2,-0.3 0.883 86.8 -6.0 -72.1 -41.6 -8.3 65.9 76.4 93 105 A I E - e 0 121B 23 27,-0.2 2,-0.4 26,-0.1 -1,-0.3 -0.987 54.1-156.1-159.1 146.1 -11.1 63.4 76.0 94 106 A I E + e 0 122B 2 27,-1.6 29,-2.6 -2,-0.3 32,-0.2 -0.987 30.8 140.2-124.2 131.6 -11.8 60.2 74.2 95 107 A D S S+ 0 0 45 -2,-0.4 33,-0.2 27,-0.2 -1,-0.1 0.314 82.4 9.0-131.0 -89.3 -15.4 59.1 73.4 96 108 A S S S- 0 0 24 31,-0.3 32,-2.5 32,-0.1 33,-1.5 0.965 83.9-159.0 -62.1 -48.7 -16.0 57.4 70.1 97 109 A G > + 0 0 5 30,-0.2 4,-1.8 31,-0.1 -1,-0.1 0.717 48.3 126.6 79.1 21.7 -12.3 57.2 69.5 98 110 A N H > S+ 0 0 56 2,-0.2 4,-2.1 3,-0.1 5,-0.2 0.990 76.6 42.7 -71.8 -61.4 -12.4 56.9 65.7 99 111 A T H > S+ 0 0 63 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.912 115.2 50.0 -48.5 -51.9 -10.0 59.8 65.0 100 112 A L H > S+ 0 0 4 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.968 108.1 55.2 -52.5 -54.7 -7.7 58.8 67.8 101 113 A S H X S+ 0 0 23 -4,-1.8 4,-1.6 1,-0.2 -1,-0.2 0.856 111.7 42.2 -43.9 -50.4 -7.7 55.2 66.5 102 114 A K H X S+ 0 0 103 -4,-2.1 4,-2.9 2,-0.2 -1,-0.2 0.879 110.1 55.7 -69.4 -40.3 -6.6 56.3 63.0 103 115 A V H X S+ 0 0 0 -4,-2.7 4,-2.4 -5,-0.2 -2,-0.2 0.900 106.6 52.9 -58.7 -39.1 -4.0 58.8 64.2 104 116 A R H X S+ 0 0 42 -4,-2.5 4,-2.4 -5,-0.3 -1,-0.2 0.934 109.8 47.7 -62.3 -45.2 -2.4 56.0 66.2 105 117 A E H X S+ 0 0 99 -4,-1.6 4,-1.7 -5,-0.2 -2,-0.2 0.970 109.9 52.0 -59.4 -55.4 -2.2 53.9 63.0 106 118 A I H < S+ 0 0 41 -4,-2.9 3,-0.5 1,-0.2 4,-0.3 0.916 112.4 46.1 -46.6 -50.9 -0.7 56.7 61.0 107 119 A L H >< S+ 0 0 0 -4,-2.4 3,-2.3 1,-0.2 -1,-0.2 0.881 104.5 59.0 -64.6 -39.6 2.0 57.2 63.6 108 120 A S H >< S+ 0 0 60 -4,-2.4 3,-3.0 1,-0.3 -1,-0.2 0.849 92.6 69.7 -60.0 -30.1 2.8 53.5 64.0 109 121 A L T 3< S+ 0 0 139 -4,-1.7 -1,-0.3 -3,-0.5 -2,-0.2 0.718 92.0 60.9 -58.0 -18.6 3.7 53.5 60.3 110 122 A R T < S- 0 0 64 -3,-2.3 -1,-0.3 -4,-0.3 -2,-0.2 0.421 112.0-125.5 -89.6 1.3 6.6 55.7 61.4 111 123 A E < - 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