==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 07-NOV-03 1RF5 . COMPND 2 MOLECULE: 5-ENOLPYRUVYLSHIKIMATE-3-PHOSPHATE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS PNEUMONIAE; . AUTHOR H.PARK,J.L.HILSENBECK,H.J.KIM,W.A.SHUTTLEWORTH,Y.H.PARK, . 1708 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 63949.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1211 70.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 125 7.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 245 14.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 0.5 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 . 13 0.8 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 . 1 0.1 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 . 183 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 131 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 411 24.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 26 1.5 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 3 0 0 2 7 10 10 7 3 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 10 6 15 1 3 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 . 13 1 6 15 11 6 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 . 1 5 14 1 0 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 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 97 0, 0.0 403,-2.8 0, 0.0 2,-0.7 0.000 360.0 360.0 360.0 151.8 69.8 71.3 113.3 2 2 A K B -A 403 0A 124 401,-0.2 401,-0.2 3,-0.0 3,-0.1 -0.788 360.0-142.5 -89.3 113.4 68.7 69.8 116.6 3 3 A L - 0 0 5 399,-2.5 399,-0.4 -2,-0.7 2,-0.2 -0.347 27.3 -89.7 -76.1 155.2 65.0 68.8 116.4 4 4 A K - 0 0 59 387,-0.1 2,-0.3 397,-0.1 393,-0.2 -0.460 49.8-169.1 -68.6 128.8 62.6 69.2 119.3 5 5 A T + 0 0 42 -2,-0.2 390,-0.2 1,-0.2 393,-0.2 -0.826 49.7 25.6-122.0 158.3 62.4 66.1 121.6 6 6 A N - 0 0 113 391,-1.8 2,-0.4 388,-0.7 -1,-0.2 0.981 66.8-171.3 55.6 73.1 60.2 64.8 124.4 7 7 A I - 0 0 16 388,-2.3 -1,-0.2 -3,-0.1 3,-0.1 -0.813 16.5-168.9 -98.8 131.6 56.9 66.6 123.8 8 8 A R + 0 0 181 -2,-0.4 2,-0.3 1,-0.2 -1,-0.1 0.814 68.6 5.2 -87.9 -35.8 54.1 66.3 126.5 9 9 A H - 0 0 33 416,-0.2 2,-0.4 2,-0.0 -1,-0.2 -0.991 51.1-155.5-150.5 155.9 51.2 67.8 124.5 10 10 A L E +c 249 0B 0 238,-0.6 240,-2.6 -2,-0.3 2,-0.3 -0.941 28.4 155.2-137.1 112.8 50.1 69.1 121.1 11 11 A H E +c 250 0B 47 413,-2.5 416,-0.3 -2,-0.4 2,-0.2 -0.992 17.3 81.8-140.6 144.6 47.2 71.5 120.8 12 12 A G E -c 251 0B 28 238,-0.8 240,-2.2 -2,-0.3 2,-0.5 -0.830 63.2 -83.6 149.8 175.0 46.1 74.2 118.4 13 13 A I E -c 252 0B 64 -2,-0.2 2,-0.3 238,-0.2 240,-0.2 -0.966 41.9-170.2-117.3 121.7 44.3 75.2 115.1 14 14 A I E -c 253 0B 4 238,-2.7 240,-1.7 -2,-0.5 2,-0.5 -0.860 18.1-162.0-117.0 145.2 46.2 74.9 111.8 15 15 A R - 0 0 74 -2,-0.3 3,-0.1 238,-0.2 240,-0.1 -0.924 22.6-150.5-125.0 104.7 45.6 76.0 108.3 16 16 A V - 0 0 15 -2,-0.5 220,-0.1 238,-0.2 398,-0.1 -0.297 29.1 -84.7 -74.5 154.1 47.8 74.2 105.8 17 17 A P - 0 0 30 0, 0.0 215,-3.0 0, 0.0 218,-0.2 -0.178 58.3 -88.9 -54.4 151.6 49.1 75.7 102.4 18 18 A G B -D 231 0B 6 213,-0.3 213,-0.3 24,-0.2 2,-0.2 -0.053 43.5 -90.8 -66.3 162.1 46.8 75.3 99.4 19 19 A D > - 0 0 4 211,-2.2 4,-1.6 1,-0.1 24,-0.4 -0.518 26.4-142.8 -74.3 138.8 46.5 72.4 96.9 20 20 A K H > S+ 0 0 95 -2,-0.2 4,-1.4 2,-0.2 -1,-0.1 0.875 96.9 48.8 -70.8 -41.7 48.8 72.8 93.8 21 21 A S H > S+ 0 0 17 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.867 114.7 44.3 -68.7 -39.6 46.3 71.2 91.3 22 22 A I H > S+ 0 0 18 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.838 109.7 56.9 -73.7 -34.8 43.4 73.4 92.4 23 23 A S H X S+ 0 0 0 -4,-1.6 4,-0.6 2,-0.2 -2,-0.2 0.835 108.9 46.8 -64.1 -35.8 45.5 76.5 92.5 24 24 A H H >X S+ 0 0 2 -4,-1.4 4,-1.4 1,-0.2 3,-0.6 0.909 113.3 47.6 -70.3 -45.0 46.5 76.0 88.9 25 25 A R H 3X S+ 0 0 1 -4,-1.6 4,-3.0 1,-0.2 5,-0.3 0.748 101.6 64.9 -70.5 -26.9 42.9 75.4 87.8 26 26 A S H 3X S+ 0 0 0 -4,-1.8 4,-1.0 1,-0.2 -1,-0.2 0.803 105.9 44.1 -66.1 -31.3 41.5 78.4 89.7 27 27 A I H S- 0 0 22 -2,-1.6 4,-1.5 -25,-0.1 5,-0.1 -0.655 71.0-109.1-113.3 173.4 54.7 78.8 94.5 46 46 A E H > S+ 0 0 134 -2,-0.2 4,-1.3 1,-0.2 45,-0.1 0.774 114.9 57.5 -73.4 -28.4 56.7 79.5 91.3 47 47 A D H > S+ 0 0 22 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.856 110.2 42.4 -70.8 -38.2 54.6 77.0 89.3 48 48 A V H > S+ 0 0 1 2,-0.2 4,-1.6 1,-0.2 -2,-0.2 0.830 113.3 54.4 -73.9 -34.9 51.3 78.8 90.1 49 49 A L H X S+ 0 0 54 -4,-1.5 4,-1.3 1,-0.2 -2,-0.2 0.770 104.7 55.2 -67.9 -28.7 53.0 82.1 89.6 50 50 A S H X S+ 0 0 14 -4,-1.3 4,-1.7 2,-0.2 -1,-0.2 0.890 107.2 48.1 -70.3 -42.5 54.1 80.9 86.1 51 51 A T H X S+ 0 0 0 -4,-1.2 4,-1.7 1,-0.2 -2,-0.2 0.853 108.6 55.4 -65.8 -37.2 50.5 80.2 85.1 52 52 A M H X S+ 0 0 1 -4,-1.6 4,-1.0 1,-0.2 -1,-0.2 0.860 110.7 44.3 -63.3 -38.8 49.4 83.6 86.3 53 53 A Q H X S+ 0 0 84 -4,-1.3 4,-1.6 2,-0.2 -1,-0.2 0.807 107.3 59.4 -77.0 -32.6 51.9 85.4 84.2 54 54 A V H X S+ 0 0 1 -4,-1.7 4,-0.8 2,-0.2 -2,-0.2 0.927 109.7 42.2 -61.4 -47.4 51.1 83.2 81.1 55 55 A F H <>S+ 0 0 0 -4,-1.7 5,-2.5 1,-0.2 4,-0.4 0.794 110.3 58.3 -69.7 -30.0 47.5 84.3 81.1 56 56 A R H <5S+ 0 0 78 -4,-1.0 3,-0.4 1,-0.2 -1,-0.2 0.807 104.7 50.8 -67.2 -32.2 48.6 87.9 81.8 57 57 A D H <5S+ 0 0 47 -4,-1.6 26,-0.3 1,-0.2 -1,-0.2 0.717 105.7 57.0 -74.3 -23.7 50.6 87.8 78.6 58 58 A L T <5S- 0 0 2 -4,-0.8 22,-2.6 -5,-0.1 -1,-0.2 0.532 129.9 -93.9 -85.1 -9.2 47.5 86.6 76.8 59 59 A G T 5S+ 0 0 47 -3,-0.4 2,-0.5 -4,-0.4 -3,-0.2 0.501 77.7 139.4 111.8 8.5 45.6 89.7 77.9 60 60 A V < - 0 0 4 -5,-2.5 2,-0.8 20,-0.1 -1,-0.3 -0.730 51.6-129.1 -89.1 127.9 43.8 88.5 81.1 61 61 A E E +Q 72 0D 129 11,-0.5 11,-2.7 -2,-0.5 2,-0.5 -0.664 34.6 172.6 -78.2 108.0 43.7 91.0 84.0 62 62 A I E -Q 71 0D 12 -2,-0.8 2,-0.6 9,-0.2 9,-0.2 -0.979 14.8-160.3-122.0 121.2 45.0 89.2 87.1 63 63 A E E -Q 70 0D 92 7,-2.9 7,-2.3 -2,-0.5 2,-0.9 -0.895 6.2-165.2-106.5 118.1 45.6 91.2 90.3 64 64 A D E +Q 69 0D 52 -2,-0.6 2,-0.4 5,-0.2 5,-0.2 -0.842 29.8 155.7 -99.1 95.7 47.9 89.7 93.0 65 65 A K E > -Q 68 0D 121 3,-2.2 3,-1.9 -2,-0.9 -2,-0.1 -0.968 63.6 -26.8-133.3 117.9 47.1 91.9 96.1 66 66 A D T 3 S- 0 0 47 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.819 121.9 -50.8 52.5 42.1 47.5 91.0 99.8 67 67 A G T 3 S+ 0 0 19 1,-0.2 -26,-0.5 -27,-0.1 2,-0.5 0.517 116.4 113.2 77.6 6.3 47.1 87.3 99.2 68 68 A V E < -OQ 40 65D 40 -3,-1.9 -3,-2.2 -28,-0.1 2,-0.6 -0.952 55.6-150.6-115.1 126.0 43.9 87.7 97.2 69 69 A I E -OQ 39 64D 0 -30,-2.2 -30,-2.9 -2,-0.5 2,-0.6 -0.856 10.6-170.1 -99.9 117.2 43.8 86.8 93.5 70 70 A T E -OQ 38 63D 24 -7,-2.3 -7,-2.9 -2,-0.6 2,-0.5 -0.932 5.7-172.4-110.6 115.1 41.4 88.9 91.4 71 71 A V E -OQ 37 62D 0 -34,-3.1 -34,-2.5 -2,-0.6 2,-0.7 -0.923 15.1-150.0-113.2 126.3 40.8 87.6 87.8 72 72 A Q E -OQ 36 61D 67 -11,-2.7 -11,-0.5 -2,-0.5 -36,-0.2 -0.860 27.0-128.7 -94.2 114.9 38.8 89.5 85.2 73 73 A G - 0 0 26 -38,-2.9 -38,-0.3 -2,-0.7 -41,-0.2 -0.338 23.0-173.2 -68.7 140.8 37.3 86.9 82.8 74 74 A V - 0 0 50 -43,-2.2 3,-0.2 1,-0.3 -42,-0.2 0.574 45.8-111.1-106.0 -16.8 37.8 87.3 79.0 75 75 A G > - 0 0 3 -44,-1.0 3,-0.8 -42,-0.9 -1,-0.3 -0.464 37.7 -65.4 109.2 176.5 35.5 84.5 77.9 76 76 A M T 3 S+ 0 0 10 1,-0.3 3,-0.1 -2,-0.2 -1,-0.1 0.788 137.6 27.0 -72.5 -30.0 35.9 81.1 76.2 77 77 A A T 3 S+ 0 0 100 -3,-0.2 -1,-0.3 1,-0.1 -2,-0.1 -0.341 96.2 99.4-125.8 49.9 37.2 82.7 73.0 78 78 A G < + 0 0 20 -3,-0.8 2,-0.3 -47,-0.1 -1,-0.1 0.279 44.9 118.4-120.4 7.8 38.6 85.9 74.5 79 79 A L - 0 0 22 -3,-0.1 2,-0.2 -4,-0.1 -20,-0.2 -0.581 49.3-150.4 -78.7 139.3 42.4 85.1 74.7 80 80 A K - 0 0 147 -22,-2.6 -20,-0.1 -2,-0.3 27,-0.1 -0.692 26.0 -85.3-110.7 162.3 44.7 87.4 72.7 81 81 A A - 0 0 60 -2,-0.2 28,-0.1 25,-0.1 -1,-0.1 -0.452 47.1-124.0 -68.1 129.9 48.1 86.8 71.0 82 82 A P - 0 0 23 0, 0.0 -24,-0.1 0, 0.0 -1,-0.1 -0.318 7.1-129.1 -73.9 157.6 51.1 87.3 73.3 83 83 A Q S S+ 0 0 140 -26,-0.3 2,-0.2 2,-0.1 -25,-0.1 0.831 86.6 0.6 -73.7 -35.7 53.9 89.8 72.6 84 84 A N S S- 0 0 132 -27,-0.1 26,-0.3 1,-0.1 2,-0.1 -0.713 101.1 -49.7-138.8-172.0 56.6 87.2 73.2 85 85 A A - 0 0 35 -2,-0.2 2,-0.5 24,-0.1 26,-0.2 -0.421 58.3-114.6 -68.6 140.2 57.2 83.5 74.1 86 86 A L E -r 111 0E 0 24,-3.2 26,-2.5 -2,-0.1 2,-0.6 -0.650 22.4-142.9 -82.8 123.9 55.3 82.2 77.1 87 87 A N E +r 112 0E 83 -2,-0.5 26,-0.2 24,-0.2 -33,-0.1 -0.777 25.8 169.6 -89.3 119.0 57.5 81.1 80.1 88 88 A M E > - 0 0 0 24,-3.1 3,-1.3 -2,-0.6 2,-0.4 0.637 22.1-170.7 -99.9 -21.0 56.2 78.0 81.9 89 89 A G E 3 -r 113 0E 14 23,-0.6 25,-2.1 1,-0.2 28,-0.3 -0.512 62.6 -19.1 73.1-121.7 59.3 77.5 84.0 90 90 A N T 3 S+ 0 0 74 -2,-0.4 2,-0.4 23,-0.2 -1,-0.2 0.544 103.5 114.2 -97.5 -11.7 59.3 74.2 86.0 91 91 A S <> - 0 0 3 -3,-1.3 4,-1.0 1,-0.2 5,-0.1 -0.482 38.1-178.8 -73.1 120.1 55.6 73.5 85.8 92 92 A G H > S+ 0 0 5 -2,-0.4 4,-1.1 2,-0.2 -1,-0.2 0.692 87.4 57.1 -82.9 -24.2 54.6 70.5 83.8 93 93 A T H > S+ 0 0 17 2,-0.2 4,-2.7 3,-0.1 5,-0.3 0.907 104.1 51.3 -69.8 -45.1 50.9 71.3 84.6 94 94 A S H > S+ 0 0 1 1,-0.2 4,-1.6 2,-0.2 5,-0.2 0.903 111.3 45.5 -61.3 -46.6 51.2 74.8 83.1 95 95 A I H < S+ 0 0 0 -4,-1.0 4,-0.5 1,-0.2 -1,-0.2 0.816 119.4 41.5 -68.6 -31.9 52.7 73.7 79.7 96 96 A R H X S+ 0 0 30 -4,-1.1 4,-0.7 2,-0.1 -2,-0.2 0.895 116.6 43.8 -84.5 -44.3 50.2 70.8 79.3 97 97 A L H >X S+ 0 0 0 -4,-2.7 4,-1.0 1,-0.2 3,-0.9 0.920 113.5 48.6 -70.3 -46.7 46.9 72.3 80.4 98 98 A I H 3X S+ 0 0 0 -4,-1.6 4,-2.5 -5,-0.3 -1,-0.2 0.754 100.6 67.4 -68.1 -25.4 47.2 75.7 78.6 99 99 A S H 34 S+ 0 0 8 -4,-0.5 -1,-0.3 -5,-0.2 -2,-0.2 0.843 106.2 41.8 -59.8 -35.7 48.2 73.8 75.4 100 100 A G H X< S+ 0 0 0 -3,-0.9 3,-0.7 -4,-0.7 -1,-0.2 0.698 111.1 56.6 -82.4 -23.8 44.6 72.5 75.5 101 101 A V H >< S+ 0 0 0 -4,-1.0 3,-0.7 1,-0.2 -2,-0.2 0.865 106.0 50.0 -72.8 -38.1 43.2 75.9 76.5 102 102 A L G >< S+ 0 0 0 -4,-2.5 3,-1.3 1,-0.2 49,-0.2 0.204 79.9 104.3 -86.4 15.7 44.8 77.5 73.4 103 103 A A G < S+ 0 0 0 -3,-0.7 49,-1.9 1,-0.3 -1,-0.2 0.798 85.0 41.9 -66.5 -31.1 43.3 74.9 71.1 104 104 A G G < S+ 0 0 24 -3,-0.7 2,-0.5 47,-0.2 -1,-0.3 -0.044 88.0 122.3-105.6 29.5 40.7 77.3 69.8 105 105 A A < - 0 0 7 -3,-1.3 2,-1.2 2,-0.1 46,-0.9 -0.836 56.6-146.5 -98.8 124.9 43.1 80.3 69.5 106 106 A D S S+ 0 0 90 -2,-0.5 2,-0.3 44,-0.1 -25,-0.1 -0.246 72.5 65.7 -86.1 48.2 43.4 81.9 66.1 107 107 A F S S- 0 0 34 -2,-1.2 44,-0.9 -5,-0.2 2,-0.4 -0.966 82.9 -96.2-157.2 170.0 47.1 82.8 66.5 108 108 A E E + S 0 150E 131 -2,-0.3 2,-0.3 42,-0.2 42,-0.2 -0.796 39.1 179.0 -98.6 134.3 50.6 81.4 66.9 109 109 A V E - S 0 149E 7 40,-2.4 40,-1.9 -2,-0.4 2,-0.4 -0.885 20.4-144.6-129.8 161.3 52.3 80.9 70.3 110 110 A E E - S 0 148E 55 -2,-0.3 -24,-3.2 -26,-0.3 2,-0.5 -0.995 12.9-165.8-128.4 126.8 55.6 79.6 71.7 111 111 A M E +rS 86 147E 0 36,-2.3 36,-2.3 -2,-0.4 2,-0.3 -0.951 17.5 161.2-118.9 118.7 55.8 77.8 75.0 112 112 A F E +r 87 0E 67 -26,-2.5 -24,-3.1 -2,-0.5 -23,-0.6 -0.889 9.6 173.5-132.9 161.8 59.1 77.2 76.8 113 113 A G E -r 89 0E 14 -2,-0.3 -23,-0.2 -25,-0.2 2,-0.0 -0.660 37.7 -63.0-143.2-159.9 60.5 76.3 80.2 114 114 A D > - 0 0 62 -25,-2.1 4,-2.1 -2,-0.2 -1,-0.2 -0.102 60.8 -83.5 -84.8-172.5 63.7 75.4 82.1 115 115 A D H > S+ 0 0 112 1,-0.2 4,-0.9 2,-0.2 -25,-0.0 0.864 128.2 52.6 -62.0 -39.9 66.0 72.4 81.6 116 116 A S H 4 S+ 0 0 60 1,-0.2 4,-0.3 2,-0.2 -1,-0.2 0.838 113.9 43.0 -65.8 -35.6 63.9 70.2 83.9 117 117 A L H >4 S+ 0 0 0 -28,-0.3 3,-0.9 1,-0.2 -2,-0.2 0.815 108.5 58.3 -78.7 -33.7 60.7 71.0 81.8 118 118 A S H 3< S+ 0 0 35 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.678 99.2 59.6 -71.5 -19.5 62.5 70.7 78.4 119 119 A K T 3< S+ 0 0 137 -4,-0.9 -1,-0.2 -5,-0.1 -2,-0.2 0.655 88.6 89.7 -81.4 -18.1 63.6 67.1 79.2 120 120 A R S < S- 0 0 87 -3,-0.9 2,-0.1 -4,-0.3 -3,-0.0 -0.668 79.7-121.6 -87.7 132.5 59.9 66.0 79.5 121 121 A P - 0 0 52 0, 0.0 22,-0.2 0, 0.0 23,-0.2 -0.384 20.2-172.2 -72.0 148.1 58.0 64.7 76.4 122 122 A M >> + 0 0 5 20,-1.5 4,-1.8 21,-1.5 3,-1.4 0.177 57.5 106.8-121.6 12.3 54.8 66.4 75.3 123 123 A D H 3> S+ 0 0 52 19,-1.4 4,-1.5 1,-0.3 20,-0.1 0.716 71.6 64.3 -65.0 -23.3 53.9 63.8 72.6 124 124 A R H 34 S+ 0 0 123 18,-0.2 -1,-0.3 1,-0.2 40,-0.1 0.677 111.2 36.3 -73.7 -19.3 51.1 62.5 74.8 125 125 A V H <> S+ 0 0 4 -3,-1.4 4,-1.3 2,-0.1 -2,-0.2 0.731 114.5 53.8-102.0 -32.5 49.3 65.8 74.5 126 126 A T H X S+ 0 0 5 -4,-1.8 4,-1.7 2,-0.2 10,-0.2 0.817 100.2 62.2 -74.4 -32.8 50.1 66.8 70.9 127 127 A L H X S+ 0 0 80 -4,-1.5 4,-1.0 2,-0.2 3,-0.2 0.950 109.8 36.9 -59.1 -55.9 48.8 63.5 69.4 128 128 A P H > S+ 0 0 0 0, 0.0 4,-0.6 0, 0.0 -1,-0.2 0.844 116.1 54.4 -67.5 -33.6 45.1 63.9 70.5 129 129 A L H X>S+ 0 0 1 -4,-1.3 5,-2.1 1,-0.2 4,-0.8 0.779 103.6 56.0 -70.5 -28.6 45.2 67.7 69.9 130 130 A K H <5S+ 0 0 108 -4,-1.7 -1,-0.2 1,-0.2 3,-0.2 0.804 102.3 56.1 -70.2 -32.0 46.4 67.2 66.3 131 131 A K H <5S+ 0 0 127 -4,-1.0 -1,-0.2 1,-0.2 -2,-0.2 0.708 104.4 54.5 -70.4 -22.5 43.4 64.9 65.7 132 132 A M H <5S- 0 0 0 -4,-0.6 24,-2.0 -3,-0.2 -1,-0.2 0.722 128.6 -96.0 -82.3 -25.6 41.2 67.9 66.8 133 133 A G T <5S+ 0 0 17 -4,-0.8 2,-0.4 1,-0.3 -3,-0.2 0.535 78.0 135.5 119.8 15.3 42.8 70.2 64.2 134 134 A V < - 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