==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-JUN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 10-MAR-09 2WC7 . COMPND 2 MOLECULE: ALPHA AMYLASE, CATALYTIC REGION; . SOURCE 2 ORGANISM_SCIENTIFIC: NOSTOC PUNCTIFORME; . AUTHOR A.-B.DUMBREPATIL,H.-N.SONG,J.-H.CHOI,K.-H.PARK,E.-J.WOO . 469 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19050.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 317 67.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 32 6.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 49 10.4 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 35 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 65 13.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 111 23.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 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 5 0 1 1 0 1 0 1 3 0 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 3 2 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 0 PARALLEL BRIDGES PER LADDER . 4 1 1 0 1 1 1 1 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 1 0 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 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 Q 0 0 233 0, 0.0 2,-0.1 0, 0.0 249,-0.1 0.000 360.0 360.0 360.0 132.2 4.4 9.5 -5.3 2 3 A I + 0 0 55 247,-0.1 2,-0.3 1,-0.0 249,-0.1 -0.258 360.0 168.6 -55.7 123.8 3.9 12.8 -3.4 3 4 A Q - 0 0 135 247,-0.3 307,-0.0 -2,-0.1 3,-0.0 -0.985 11.4-177.6-143.9 127.7 7.2 14.7 -3.0 4 5 A T - 0 0 7 -2,-0.3 231,-0.1 305,-0.1 5,-0.1 -0.850 44.8 -74.9-121.9 159.0 7.9 18.3 -1.9 5 6 A P > - 0 0 0 0, 0.0 4,-0.7 0, 0.0 228,-0.1 -0.230 34.1-150.1 -54.5 135.4 11.2 20.2 -1.6 6 7 A D H > S+ 0 0 91 1,-0.2 4,-0.7 2,-0.2 3,-0.5 0.859 92.0 61.2 -76.7 -35.7 13.2 19.2 1.4 7 8 A W H >4 S+ 0 0 49 1,-0.2 3,-0.9 2,-0.2 -1,-0.2 0.861 100.5 57.1 -59.7 -32.6 14.9 22.6 2.0 8 9 A V H >4 S+ 0 0 0 1,-0.3 3,-1.4 2,-0.2 -1,-0.2 0.864 96.6 62.1 -65.5 -36.3 11.4 24.1 2.6 9 10 A K H 3< S+ 0 0 4 -4,-0.7 340,-0.3 -3,-0.5 -1,-0.3 0.733 114.3 35.2 -62.4 -21.8 10.7 21.6 5.4 10 11 A H T << S+ 0 0 55 -3,-0.9 -1,-0.3 -4,-0.7 -2,-0.2 0.233 99.8 104.3-117.5 14.1 13.6 23.1 7.3 11 12 A A < - 0 0 2 -3,-1.4 2,-0.5 -4,-0.2 58,-0.1 -0.482 56.8-145.7 -96.9 164.8 13.4 26.8 6.2 12 13 A V - 0 0 0 338,-0.2 58,-1.9 -2,-0.2 59,-0.9 -0.977 25.9-148.3-128.8 115.1 12.2 29.9 8.0 13 14 A F E -ab 71 352A 0 338,-3.3 340,-2.7 -2,-0.5 2,-0.4 -0.477 10.3-161.5 -92.7 156.9 10.5 32.3 5.6 14 15 A Y E -ab 72 353A 0 57,-1.5 59,-0.8 338,-0.2 2,-0.4 -0.874 11.3-146.8-144.0 103.7 10.5 36.1 5.8 15 16 A Q E -ab 73 354A 0 338,-1.6 340,-2.5 -2,-0.4 2,-0.4 -0.567 19.8-172.4 -84.6 125.6 7.9 38.0 3.8 16 17 A I E -a 74 0A 0 57,-1.8 59,-1.2 -2,-0.4 3,-0.1 -0.939 26.8-151.8-123.5 134.8 9.0 41.4 2.5 17 18 A F > - 0 0 48 -2,-0.4 3,-2.6 57,-0.2 4,-0.1 -0.829 22.6-161.3 -98.9 94.1 7.2 44.3 0.8 18 19 A P G >> S+ 0 0 2 0, 0.0 3,-1.7 0, 0.0 4,-0.5 0.776 80.7 62.1 -57.3 -40.4 10.2 45.6 -1.1 19 20 A D G 34 S+ 0 0 29 1,-0.3 33,-3.5 2,-0.1 58,-0.0 0.785 118.5 30.0 -49.9 -29.6 8.8 49.1 -1.9 20 21 A R G <4 S+ 0 0 120 -3,-2.6 350,-2.6 31,-0.2 -1,-0.3 0.058 101.4 83.5-129.0 20.5 8.7 49.7 1.8 21 22 A F T <4 S- 0 0 3 -3,-1.7 2,-0.3 1,-0.2 351,-0.3 0.923 97.1 -23.4 -84.7 -75.9 11.5 47.6 3.3 22 23 A A < - 0 0 8 -4,-0.5 31,-2.3 31,-0.3 34,-0.4 -1.000 47.7-133.0-150.9 139.1 14.8 49.5 3.0 23 24 A R - 0 0 113 -2,-0.3 29,-0.1 29,-0.3 2,-0.1 -0.577 42.5-100.6 -86.2 154.5 16.5 52.2 1.0 24 25 A S - 0 0 17 -2,-0.2 32,-0.1 2,-0.2 4,-0.1 -0.503 22.4-131.7 -72.9 147.7 20.0 51.5 -0.3 25 26 A K S S+ 0 0 186 -2,-0.1 -1,-0.1 30,-0.1 -2,-0.0 0.311 89.9 63.8 -81.7 10.7 22.6 53.2 1.8 26 27 A Q S S- 0 0 104 0, 0.0 2,-0.2 0, 0.0 -2,-0.2 -0.959 98.4 -98.6-133.7 149.2 24.1 54.5 -1.4 27 28 A P - 0 0 84 0, 0.0 2,-0.4 0, 0.0 -2,-0.1 -0.523 50.7-151.6 -65.5 132.9 22.9 56.8 -4.1 28 29 A R - 0 0 35 18,-0.3 2,-1.2 -2,-0.2 71,-0.0 -0.906 21.6-141.7-117.4 140.6 21.6 54.5 -6.8 29 30 A K + 0 0 58 -2,-0.4 6,-0.1 4,-0.1 2,-0.1 -0.472 37.0 173.0 -91.8 62.5 21.3 54.8 -10.6 30 31 A R - 0 0 40 -2,-1.2 2,-2.2 1,-0.1 67,-0.1 -0.386 63.6 -2.6 -69.8 149.6 18.0 53.0 -11.0 31 32 A L S S+ 0 0 74 65,-0.5 2,-1.5 1,-0.1 3,-0.2 -0.435 131.7 55.1 71.7 -77.2 16.4 53.0 -14.5 32 33 A L > + 0 0 73 -2,-2.2 3,-1.0 1,-0.2 -1,-0.1 -0.615 64.5 167.5 -89.2 77.7 19.0 55.2 -16.2 33 34 A Q T 3 S+ 0 0 99 -2,-1.5 -1,-0.2 1,-0.2 -4,-0.1 0.730 72.9 54.9 -64.2 -23.6 22.1 53.1 -15.3 34 35 A E T 3 S+ 0 0 165 -3,-0.2 -1,-0.2 2,-0.1 -2,-0.1 0.624 78.6 118.6 -86.6 -14.8 24.3 55.1 -17.8 35 36 A A < - 0 0 18 -3,-1.0 2,-0.2 -6,-0.1 -6,-0.0 -0.228 63.2-126.5 -55.5 137.7 23.6 58.5 -16.4 36 37 A R >> - 0 0 169 1,-0.1 3,-1.9 4,-0.0 4,-0.5 -0.610 16.4-117.2 -88.2 147.7 26.7 60.3 -15.0 37 38 A W G >4 S+ 0 0 122 1,-0.3 3,-1.2 -2,-0.2 4,-0.4 0.782 109.3 68.6 -52.8 -33.7 26.8 61.7 -11.5 38 39 A E G 34 S+ 0 0 123 1,-0.3 -1,-0.3 2,-0.1 3,-0.3 0.790 103.3 47.0 -58.1 -26.7 27.2 65.3 -12.7 39 40 A D G X> S+ 0 0 73 -3,-1.9 3,-2.0 1,-0.2 4,-1.1 0.586 80.9 102.6 -90.4 -13.5 23.6 65.1 -13.9 40 41 A W G X< S+ 0 0 45 -3,-1.2 3,-1.2 -4,-0.5 7,-0.4 0.844 83.8 46.7 -36.1 -53.9 22.2 63.5 -10.7 41 42 A D G 34 S+ 0 0 132 -4,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.761 106.6 58.7 -65.3 -25.6 20.7 66.8 -9.6 42 43 A S G <4 S+ 0 0 90 -3,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.675 95.3 72.6 -75.6 -17.4 19.2 67.3 -13.0 43 44 A M XX - 0 0 52 -3,-1.2 4,-3.2 -4,-1.1 3,-0.5 -0.735 61.0-179.1-105.3 85.4 17.3 64.1 -12.6 44 45 A P H 3> S+ 0 0 93 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.804 80.3 52.7 -48.1 -43.0 14.5 64.6 -10.1 45 46 A T H 34 S+ 0 0 97 2,-0.2 -2,-0.1 1,-0.2 0, 0.0 0.880 119.1 33.1 -67.0 -40.0 13.2 61.0 -10.2 46 47 A L H <4 S+ 0 0 12 -3,-0.5 -18,-0.3 -6,-0.2 -1,-0.2 0.879 119.5 50.4 -81.8 -42.0 16.6 59.4 -9.5 47 48 A Q H < 0 0 92 -4,-3.2 -2,-0.2 -7,-0.4 -1,-0.1 0.839 360.0 360.0 -66.2 -34.4 18.1 62.1 -7.2 48 49 A G < 0 0 49 -4,-1.6 -1,-0.2 -5,-0.3 -2,-0.1 0.041 360.0 360.0-115.1 360.0 15.1 62.3 -4.9 49 ! 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 50 51 A K 0 0 182 0, 0.0 -27,-0.1 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 3.6 13.2 57.6 -1.1 51 52 A G - 0 0 46 1,-0.1 -31,-0.2 46,-0.1 2,-0.1 -0.323 360.0 -89.4 -77.7 168.7 11.3 54.4 -1.5 52 53 A G + 0 0 5 -33,-3.5 -29,-0.3 -29,-0.1 2,-0.3 -0.403 48.2 177.4 -76.4 157.9 12.7 50.9 -0.7 53 54 A D > - 0 0 1 -31,-2.3 4,-1.5 -2,-0.1 -31,-0.3 -0.883 44.4 -92.6-153.9-178.7 14.5 48.8 -3.3 54 55 A L H > S+ 0 0 0 44,-2.2 4,-2.5 -2,-0.3 5,-0.2 0.833 119.5 59.6 -80.3 -34.3 16.3 45.6 -4.0 55 56 A W H > S+ 0 0 26 43,-0.4 4,-2.5 2,-0.2 -1,-0.2 0.938 104.6 53.7 -43.8 -52.2 19.7 47.1 -3.3 56 57 A G H > S+ 0 0 0 -34,-0.4 4,-1.1 1,-0.2 -2,-0.2 0.919 107.9 47.0 -57.5 -49.0 18.4 47.9 0.2 57 58 A I H >< S+ 0 0 0 -4,-1.5 3,-0.9 -35,-0.3 -1,-0.2 0.922 110.8 52.6 -60.2 -44.5 17.3 44.3 0.9 58 59 A M H >< S+ 0 0 40 -4,-2.5 3,-1.3 1,-0.3 -1,-0.2 0.907 108.2 51.7 -58.5 -40.0 20.6 43.0 -0.3 59 60 A E H 3< S+ 0 0 45 -4,-2.5 3,-0.4 1,-0.3 -1,-0.3 0.722 107.9 52.6 -67.9 -21.5 22.4 45.4 2.0 60 61 A D T S+ 0 0 2 -3,-1.3 4,-2.6 1,-0.2 5,-0.3 0.810 73.0 63.3 -69.5 -30.8 21.1 40.5 4.5 62 63 A D H > S+ 0 0 107 -3,-0.4 4,-2.3 -4,-0.2 -1,-0.2 0.972 107.3 41.2 -47.2 -59.7 23.2 40.8 7.6 63 64 A Y H > S+ 0 0 24 1,-0.2 4,-1.4 2,-0.2 -2,-0.2 0.916 115.3 50.0 -60.3 -46.6 20.1 41.6 9.6 64 65 A I H X>S+ 0 0 0 -4,-2.1 5,-1.7 1,-0.2 4,-0.8 0.916 114.2 43.4 -62.8 -46.5 17.9 39.0 7.9 65 66 A Q H ><5S+ 0 0 76 -4,-2.6 3,-0.6 1,-0.2 -1,-0.2 0.874 111.0 55.9 -65.9 -38.4 20.3 36.2 8.3 66 67 A N H 3<5S+ 0 0 85 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 0.749 99.2 60.4 -66.0 -25.7 21.0 37.2 11.9 67 68 A L H 3<5S- 0 0 0 -4,-1.4 -1,-0.3 -3,-0.3 -2,-0.2 0.832 124.9-105.4 -69.7 -30.2 17.3 36.9 12.6 68 69 A G T <<5S+ 0 0 23 -4,-0.8 -3,-0.2 -3,-0.6 -2,-0.1 0.376 71.5 147.2 117.9 3.4 17.6 33.3 11.6 69 70 A I < + 0 0 3 -5,-1.7 -1,-0.3 1,-0.1 -56,-0.2 -0.412 21.7 172.8 -70.6 142.6 15.9 33.7 8.2 70 71 A N + 0 0 34 -58,-1.9 47,-2.5 1,-0.3 2,-0.2 0.208 67.7 37.1-134.9 11.8 17.0 31.4 5.4 71 72 A A E -ac 13 117A 0 -59,-0.9 -57,-1.5 45,-0.3 2,-0.4 -0.784 60.1-166.6-166.7 120.5 14.4 32.3 2.7 72 73 A I E -ac 14 118A 0 45,-2.3 47,-1.8 -2,-0.2 2,-0.3 -0.912 5.9-171.4-110.3 136.8 12.7 35.5 1.8 73 74 A Y E -ac 15 119A 2 -59,-0.8 -57,-1.8 -2,-0.4 47,-0.2 -0.973 11.8-149.7-128.6 147.3 9.6 35.8 -0.5 74 75 A F E -a 16 0A 0 45,-1.9 -57,-0.2 -2,-0.3 3,-0.1 -0.546 17.7-113.0-110.7 163.0 8.1 38.9 -1.9 75 76 A T S S- 0 0 2 -59,-1.2 46,-0.4 1,-0.2 -1,-0.1 -0.349 78.3 -47.0 -69.6 175.5 4.9 40.6 -3.0 76 77 A P + 0 0 6 0, 0.0 -1,-0.2 0, 0.0 46,-0.1 -0.225 60.0 170.9 -57.9 131.6 4.8 41.3 -6.7 77 78 A I + 0 0 4 44,-0.3 18,-2.5 -3,-0.1 21,-0.2 0.337 35.9 115.6-125.3 0.2 8.0 43.0 -7.9 78 79 A F E S-G 94 0B 5 16,-0.3 16,-0.3 7,-0.2 13,-0.1 -0.336 83.5 -68.4 -74.8 156.9 7.6 42.9 -11.7 79 80 A Q E S+G 90 0B 33 14,-3.7 10,-2.9 11,-0.7 11,-1.2 -0.140 76.3 137.9 -47.6 129.3 7.3 46.1 -13.7 80 81 A S E -G 88 0B 8 8,-0.2 5,-0.2 9,-0.2 8,-0.1 -0.968 56.8 -70.0-166.5 164.4 4.1 47.8 -12.9 81 82 A A > - 0 0 63 6,-0.6 3,-1.6 3,-0.4 6,-0.2 -0.243 68.5 -80.1 -62.2 156.1 2.7 51.3 -12.3 82 83 A S T 3 S+ 0 0 80 1,-0.3 -1,-0.1 2,-0.1 0, 0.0 -0.325 114.9 6.8 -60.2 133.9 3.6 53.0 -9.0 83 84 A N T 3 S+ 0 0 139 -3,-0.1 -1,-0.3 1,-0.1 -2,-0.1 0.675 117.0 84.1 66.4 17.7 1.7 51.9 -5.9 84 85 A H X + 0 0 92 -3,-1.6 3,-2.1 3,-0.1 -3,-0.4 -0.264 40.8 150.7-143.4 50.8 0.0 49.2 -8.1 85 86 A R T 3 S+ 0 0 15 1,-0.3 -7,-0.2 -5,-0.2 4,-0.1 0.665 71.1 64.7 -60.1 -17.6 2.5 46.3 -8.0 86 87 A Y T 3 S+ 0 0 53 1,-0.2 2,-0.7 -3,-0.1 -1,-0.3 0.405 86.4 75.2 -87.0 2.5 -0.4 43.9 -8.5 87 88 A H S < S- 0 0 35 -3,-2.1 -6,-0.6 -6,-0.2 41,-0.2 -0.803 83.7-149.8-113.1 83.3 -1.3 45.3 -12.0 88 89 A T E +G 80 0B 2 -2,-0.7 43,-0.4 38,-0.4 -8,-0.2 -0.295 26.0 175.0 -61.5 132.9 1.5 43.8 -14.0 89 90 A H E S+ 0 0 79 -10,-2.9 43,-0.6 1,-0.3 2,-0.4 0.815 78.1 7.1-100.8 -51.4 2.8 45.7 -17.0 90 91 A D E > -G 79 0B 40 -11,-1.2 3,-1.0 3,-0.2 -11,-0.7 -0.954 58.0-166.6-136.6 114.8 5.7 43.4 -18.1 91 92 A Y E 3 S+ 0 0 0 -2,-0.4 -1,-0.1 1,-0.2 -11,-0.0 0.699 87.2 62.8 -73.0 -19.5 6.3 40.1 -16.4 92 93 A Y E 3 S+ 0 0 65 1,-0.1 2,-0.4 -14,-0.1 -1,-0.2 0.367 98.2 65.5 -87.7 8.2 9.8 39.7 -17.8 93 94 A Q E < S- 0 0 73 -3,-1.0 -14,-3.7 -14,-0.1 2,-0.3 -0.979 74.9-134.7-137.6 125.4 11.1 42.7 -16.0 94 95 A V E -G 78 0B 0 -2,-0.4 7,-0.3 -16,-0.3 -16,-0.3 -0.587 57.5 -84.9 -69.7 135.4 11.6 43.5 -12.4 95 96 A D >>> - 0 0 7 -18,-2.5 5,-2.1 -2,-0.3 3,-1.3 -0.132 32.8-129.7 -49.0 132.8 10.2 47.0 -11.9 96 97 A P G >45S+ 0 0 25 0, 0.0 3,-1.2 0, 0.0 -65,-0.5 0.843 106.2 55.9 -49.1 -45.2 12.8 49.8 -12.8 97 98 A M G 345S+ 0 0 58 1,-0.3 -67,-0.1 2,-0.2 -2,-0.1 0.764 104.5 52.8 -64.4 -26.9 12.2 51.7 -9.5 98 99 A L G <45S- 0 0 0 -3,-1.3 -44,-2.2 -21,-0.2 -43,-0.4 0.546 133.9 -89.5 -85.0 -7.6 13.0 48.6 -7.5 99 100 A G T < - 0 0 10 -5,-2.1 4,-2.4 1,-0.2 5,-0.2 0.066 57.7 -42.7 60.8-175.0 15.3 46.2 -12.4 101 102 A N H > S+ 0 0 43 -7,-0.3 4,-2.6 1,-0.2 -1,-0.2 0.787 136.5 60.0 -57.3 -30.5 16.7 42.8 -13.3 102 103 A E H > S+ 0 0 49 -3,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.964 108.2 41.7 -64.9 -51.8 20.2 44.0 -12.5 103 104 A A H X S+ 0 0 1 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.895 115.8 51.2 -62.8 -39.1 19.4 44.8 -8.9 104 105 A F H X S+ 0 0 0 -4,-2.4 4,-3.2 1,-0.2 -1,-0.2 0.916 107.3 53.2 -64.6 -41.1 17.4 41.6 -8.6 105 106 A K H X S+ 0 0 88 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.857 110.4 47.6 -61.2 -36.6 20.3 39.6 -10.0 106 107 A E H X S+ 0 0 81 -4,-1.8 4,-2.4 2,-0.2 -1,-0.2 0.882 113.8 45.9 -73.2 -40.3 22.7 41.1 -7.4 107 108 A L H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 5,-0.2 0.937 110.8 54.5 -66.1 -46.0 20.3 40.4 -4.5 108 109 A L H X S+ 0 0 1 -4,-3.2 4,-2.3 1,-0.2 -2,-0.2 0.910 113.1 41.9 -52.9 -47.8 19.7 36.9 -5.9 109 110 A D H X S+ 0 0 56 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.897 112.3 53.3 -68.1 -42.5 23.4 36.1 -5.8 110 111 A A H X S+ 0 0 15 -4,-2.4 4,-0.8 2,-0.2 -2,-0.2 0.860 111.8 47.2 -61.3 -36.1 24.1 37.8 -2.5 111 112 A A H ><>S+ 0 0 0 -4,-2.6 5,-2.1 2,-0.2 3,-1.3 0.972 112.1 47.5 -69.1 -55.1 21.3 35.7 -1.0 112 113 A H H ><5S+ 0 0 68 -4,-2.3 3,-1.1 1,-0.3 -2,-0.2 0.812 105.8 59.3 -57.4 -32.7 22.5 32.4 -2.5 113 114 A Q H 3<5S+ 0 0 163 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.819 111.6 41.7 -64.3 -30.6 26.1 33.2 -1.4 114 115 A R T <<5S- 0 0 80 -3,-1.3 -1,-0.3 -4,-0.8 -2,-0.2 0.283 121.1-113.6 -96.1 4.4 24.6 33.3 2.2 115 116 A N T < 5 + 0 0 114 -3,-1.1 2,-0.5 1,-0.2 -3,-0.3 0.884 69.4 142.2 64.0 39.9 22.5 30.2 1.4 116 117 A I < - 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