==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-APR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 16-MAY-11 3AYR . COMPND 2 MOLECULE: ENDOGLUCANASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PIROMYCES RHIZINFLATUS; . AUTHOR C.-W.TSENG,T.-P.KO,R.-T.GUO,J.-R.LIU . 366 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15940.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 237 64.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 40 10.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 5 1.4 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 . 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 . 24 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 44 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 103 28.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 2.7 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 2 1 0 0 0 1 0 1 0 0 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 2 4 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 . 1 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 1 0 0 0 0 0 0 1 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 -7 A H > 0 0 190 0, 0.0 3,-1.8 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -36.4 -22.1 26.5 22.8 2 -6 A H T 3 + 0 0 174 1,-0.3 0, 0.0 0, 0.0 0, 0.0 0.667 360.0 40.7 -61.8 -37.6 -21.2 24.9 26.1 3 -5 A V T 3 S+ 0 0 143 2,-0.0 -1,-0.3 0, 0.0 2,-0.0 0.286 85.0 133.6-100.4 6.4 -20.2 21.3 25.4 4 -4 A D < - 0 0 95 -3,-1.8 2,-0.1 1,-0.1 0, 0.0 -0.272 56.4-114.9 -72.0 143.8 -18.2 22.1 22.2 5 -3 A D > - 0 0 93 1,-0.1 3,-0.6 4,-0.1 -1,-0.1 -0.384 11.0-133.8 -77.5 153.9 -14.8 20.6 21.4 6 -2 A D T 3 S+ 0 0 160 1,-0.2 -1,-0.1 -2,-0.1 -2,-0.0 0.634 108.3 53.3 -78.4 -22.8 -11.7 22.9 21.2 7 -1 A D T 3 S+ 0 0 71 2,-0.1 -1,-0.2 144,-0.1 -2,-0.0 0.416 83.4 124.6 -81.8 -10.2 -10.7 21.0 18.0 8 0 A K < - 0 0 77 -3,-0.6 2,-0.5 1,-0.1 145,-0.2 -0.291 53.2-142.6 -75.9 140.5 -14.1 21.5 16.3 9 1 A I - 0 0 23 143,-0.2 2,-0.2 144,-0.1 -1,-0.1 -0.852 24.7-117.3 -95.4 133.1 -14.2 23.2 12.9 10 2 A R - 0 0 72 -2,-0.5 2,-1.2 1,-0.1 -1,-0.0 -0.462 15.1-134.7 -66.8 136.1 -17.2 25.5 12.3 11 3 A D + 0 0 108 -2,-0.2 2,-0.3 193,-0.0 -1,-0.1 -0.741 55.2 140.3 -83.1 91.3 -19.6 24.4 9.6 12 4 A I - 0 0 30 -2,-1.2 2,-0.1 191,-0.3 -2,-0.0 -0.951 53.6-105.2-140.7 150.8 -19.9 27.8 8.0 13 5 A S > - 0 0 30 -2,-0.3 4,-3.1 1,-0.1 3,-0.3 -0.448 24.3-123.4 -78.1 157.5 -20.1 29.0 4.4 14 6 A S H > S+ 0 0 0 216,-2.6 4,-2.8 1,-0.2 5,-0.2 0.900 112.8 58.7 -68.3 -33.6 -17.2 30.7 2.7 15 7 A K H 4 S+ 0 0 76 215,-0.5 4,-0.4 1,-0.2 -1,-0.2 0.881 113.7 37.6 -61.7 -39.7 -19.4 33.8 1.9 16 8 A E H >4 S+ 0 0 99 -3,-0.3 3,-1.1 2,-0.2 4,-0.3 0.917 114.4 54.2 -75.1 -50.6 -20.1 34.2 5.7 17 9 A L H >< S+ 0 0 0 -4,-3.1 3,-2.3 1,-0.2 -2,-0.2 0.874 100.4 59.5 -47.6 -46.3 -16.6 33.3 6.8 18 10 A I G >< S+ 0 0 9 -4,-2.8 3,-1.9 1,-0.3 -1,-0.2 0.747 88.8 73.4 -70.7 -8.2 -14.9 35.9 4.6 19 11 A K G < S+ 0 0 119 -3,-1.1 -1,-0.3 -4,-0.4 -2,-0.2 0.663 91.0 60.6 -70.7 -17.3 -17.0 38.6 6.5 20 12 A E G < S+ 0 0 65 -3,-2.3 2,-0.4 -4,-0.3 -1,-0.3 0.520 87.1 94.6 -80.5 -10.0 -14.5 37.9 9.3 21 13 A M < - 0 0 1 -3,-1.9 3,-0.1 -4,-0.2 51,-0.1 -0.727 46.5-179.8 -89.8 130.4 -11.5 38.9 7.0 22 14 A N - 0 0 35 -2,-0.4 294,-0.3 1,-0.4 2,-0.3 0.861 62.6 -57.7 -84.9 -77.5 -10.2 42.5 7.3 23 15 A F - 0 0 1 46,-0.4 48,-2.0 292,-0.1 49,-0.8 -0.944 59.2-126.5-163.9 169.5 -7.4 42.4 4.7 24 16 A G E -ab 72 317A 0 292,-2.6 294,-2.8 -2,-0.3 2,-0.3 -0.637 8.0-146.6-133.5 172.3 -4.3 40.3 4.3 25 17 A W E -ab 73 318A 0 47,-1.9 49,-2.0 292,-0.3 2,-0.4 -0.991 16.3-140.6-139.6 138.9 -0.5 40.0 3.8 26 18 A N E -ab 74 319A 0 292,-2.5 2,-1.9 -2,-0.3 294,-0.9 -0.849 14.7-136.9 -96.9 137.1 1.6 37.4 1.9 27 19 A L E > - b 0 320A 0 47,-2.3 3,-0.6 -2,-0.4 4,-0.5 -0.590 46.5-174.3 -80.6 72.4 4.9 36.1 3.3 28 20 A G T 3 + 0 0 0 -2,-1.9 5,-0.0 292,-1.9 49,-0.0 -0.361 52.5 18.8 -84.0 164.3 6.3 36.5 -0.2 29 21 A N T 3 S+ 0 0 30 1,-0.1 25,-0.5 -2,-0.0 23,-0.3 0.820 111.0 81.9 51.9 39.3 9.7 35.4 -1.5 30 22 A T S X S+ 0 0 0 -3,-0.6 3,-1.6 46,-0.2 21,-0.2 0.360 99.7 11.9-135.0 -95.2 10.1 33.1 1.6 31 23 A M T 3 S+ 0 0 0 -4,-0.5 47,-2.3 1,-0.3 87,-0.1 0.679 132.7 53.6 -70.0 -12.8 8.5 29.6 1.6 32 24 A D T 3 S+ 0 0 0 -5,-0.3 -1,-0.3 45,-0.3 87,-0.3 0.548 79.8 119.4 -88.4 -15.8 7.9 30.1 -2.1 33 25 A A < - 0 0 1 -3,-1.6 2,-0.6 43,-0.2 45,-0.1 -0.289 50.0-159.4 -54.6 131.8 11.6 30.9 -2.7 34 26 A Q + 0 0 59 1,-0.1 3,-0.1 15,-0.1 47,-0.1 -0.941 32.2 149.0-125.6 112.5 13.0 28.4 -5.2 35 27 A a > + 0 0 14 -2,-0.6 4,-2.5 1,-0.1 -1,-0.1 -0.282 14.8 146.0-133.5 43.8 16.7 27.8 -5.4 36 28 A I T 4 S+ 0 0 52 1,-0.2 5,-0.4 2,-0.2 -1,-0.1 0.915 78.1 39.8 -51.1 -46.2 16.9 24.1 -6.4 37 29 A E T 4 S+ 0 0 176 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.1 0.896 116.9 45.0 -73.7 -45.2 20.0 24.7 -8.5 38 30 A Y T 4 S+ 0 0 193 2,-0.0 -1,-0.2 0, 0.0 -2,-0.2 0.907 118.9 39.5 -66.4 -46.6 22.0 27.1 -6.4 39 31 A L S < S- 0 0 51 -4,-2.5 2,-0.3 5,-0.0 0, 0.0 -0.032 82.3-121.9 -90.6-163.2 21.4 25.3 -3.1 40 32 A N >> - 0 0 94 4,-0.2 3,-1.9 1,-0.1 4,-1.1 -0.731 22.0-173.0-145.1 89.6 21.4 21.5 -2.3 41 33 A Y G >4 S+ 0 0 11 -5,-0.4 3,-0.6 1,-0.3 6,-0.1 0.841 82.2 63.2 -60.1 -37.3 18.1 20.7 -0.8 42 34 A E G 34 S+ 0 0 178 1,-0.3 -1,-0.3 2,-0.2 3,-0.2 0.782 108.6 43.9 -53.2 -33.1 19.1 17.1 -0.0 43 35 A K G <4 S+ 0 0 178 -3,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.658 135.8 10.1 -90.4 -16.5 21.7 18.6 2.3 44 36 A D X< - 0 0 81 -4,-1.1 3,-1.0 -3,-0.6 4,-0.4 -0.546 63.1-172.7-161.0 94.9 19.4 21.2 3.8 45 37 A Q T 3 S+ 0 0 24 -3,-0.2 -4,-0.1 1,-0.2 -3,-0.1 0.388 86.0 42.8 -67.2 -4.1 15.7 20.9 3.0 46 38 A T T > S+ 0 0 43 -5,-0.1 3,-1.4 2,-0.1 4,-0.3 0.426 82.3 93.7-123.6 0.1 14.7 24.2 4.7 47 39 A A G X> + 0 0 29 -3,-1.0 3,-1.3 1,-0.2 4,-0.6 0.806 69.9 77.1 -59.8 -22.1 17.5 26.5 3.5 48 40 A S G >4 S+ 0 0 0 -4,-0.4 3,-1.2 1,-0.2 4,-0.5 0.835 79.5 75.3 -55.8 -23.3 15.3 27.7 0.5 49 41 A E G <4 S+ 0 0 3 -3,-1.4 3,-0.3 1,-0.3 5,-0.3 0.843 107.0 27.6 -64.2 -40.1 13.3 29.8 3.0 50 42 A T G X4 S+ 0 0 62 -3,-1.3 3,-1.8 -4,-0.3 -1,-0.3 0.383 92.7 102.0-105.2 9.1 16.0 32.5 3.2 51 43 A a T << S+ 0 0 31 -3,-1.2 -2,-0.2 -4,-0.6 -1,-0.2 0.655 79.6 53.3 -70.4 -23.7 17.5 32.0 -0.2 52 44 A W T 3 S- 0 0 102 -4,-0.5 -1,-0.3 -23,-0.3 -2,-0.1 0.125 127.6 -94.8 -93.0 18.2 15.8 35.0 -1.7 53 45 A G S < S+ 0 0 56 -3,-1.8 -2,-0.1 1,-0.3 -3,-0.1 0.362 82.4 128.8 98.0 -5.2 17.2 37.2 1.1 54 46 A N - 0 0 9 -25,-0.5 -1,-0.3 -5,-0.3 -2,-0.1 -0.587 61.2-110.7 -78.2 147.8 14.4 37.3 3.6 55 47 A P - 0 0 36 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.289 48.5 -77.5 -66.6 163.7 15.2 36.5 7.2 56 48 A K - 0 0 126 1,-0.1 2,-0.1 -6,-0.1 -6,-0.0 -0.383 62.0-103.8 -66.7 131.8 13.9 33.2 8.8 57 49 A T - 0 0 1 -3,-0.1 2,-0.3 -30,-0.0 -1,-0.1 -0.341 42.7-170.8 -63.6 138.7 10.2 33.8 9.6 58 50 A T > - 0 0 59 1,-0.1 4,-0.8 278,-0.1 3,-0.2 -0.819 35.0-115.9-125.0 166.2 9.3 34.5 13.2 59 51 A E H > S+ 0 0 68 -2,-0.3 4,-1.6 1,-0.2 3,-0.4 0.858 111.6 63.8 -69.6 -34.9 6.0 34.8 15.2 60 52 A D H > S+ 0 0 84 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.817 92.7 62.5 -65.8 -24.3 6.7 38.4 16.0 61 53 A M H > S+ 0 0 5 1,-0.2 4,-1.1 -3,-0.2 -1,-0.2 0.955 108.1 42.3 -63.0 -45.8 6.6 39.4 12.3 62 54 A F H X S+ 0 0 0 -4,-0.8 4,-2.9 -3,-0.4 -1,-0.2 0.833 109.1 59.1 -64.5 -33.6 2.9 38.2 12.2 63 55 A K H X S+ 0 0 81 -4,-1.6 4,-2.5 1,-0.2 -1,-0.2 0.882 102.7 53.1 -66.4 -38.2 2.2 39.9 15.6 64 56 A V H X S+ 0 0 7 -4,-2.0 4,-0.7 2,-0.2 -1,-0.2 0.840 111.6 46.0 -57.6 -38.4 3.2 43.3 14.2 65 57 A L H ><>S+ 0 0 0 -4,-1.1 5,-1.8 2,-0.2 3,-0.8 0.922 110.6 52.0 -79.2 -40.8 0.8 42.8 11.3 66 58 A I H ><5S+ 0 0 49 -4,-2.9 3,-2.9 1,-0.3 -2,-0.2 0.924 102.0 60.1 -57.3 -46.2 -2.0 41.7 13.6 67 59 A D H 3<5S+ 0 0 80 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.826 105.6 50.8 -49.6 -27.7 -1.4 44.8 15.7 68 60 A N T <<5S- 0 0 0 -3,-0.8 -1,-0.3 -4,-0.7 -2,-0.2 0.253 125.5-104.8 -95.6 10.0 -2.3 46.7 12.4 69 61 A Q T < 5S+ 0 0 51 -3,-2.9 -46,-0.4 1,-0.3 2,-0.3 0.563 71.3 143.5 79.2 10.5 -5.4 44.7 11.9 70 62 A F < + 0 0 0 -5,-1.8 -1,-0.3 -48,-0.1 -46,-0.2 -0.672 16.8 169.0 -64.6 137.6 -4.3 42.3 9.1 71 63 A N + 0 0 35 -48,-2.0 41,-2.8 -2,-0.3 2,-0.4 0.187 51.0 68.3-142.3 16.4 -6.0 39.0 9.9 72 64 A V E -ac 24 112A 0 -49,-0.8 -47,-1.9 39,-0.2 2,-0.5 -0.990 59.2-172.2-134.2 134.1 -5.4 36.8 6.8 73 65 A F E -ac 25 113A 0 39,-2.0 41,-2.6 -2,-0.4 2,-0.5 -0.987 9.4-156.0-128.8 120.3 -1.9 35.6 6.0 74 66 A R E -ac 26 114A 0 -49,-2.0 -47,-2.3 -2,-0.5 41,-0.2 -0.821 2.5-161.9 -96.0 137.0 -1.1 33.8 2.8 75 67 A I E - c 0 115A 0 39,-3.2 41,-1.0 -2,-0.5 2,-0.2 -0.810 9.8-155.5-119.3 83.4 2.0 31.6 3.0 76 68 A P - 0 0 0 0, 0.0 2,-0.4 0, 0.0 -46,-0.2 -0.496 18.9-171.2 -63.6 134.8 3.0 31.0 -0.6 77 69 A T - 0 0 0 -2,-0.2 41,-2.3 -45,-0.2 2,-0.7 -0.979 20.7-154.2-140.4 121.5 4.9 27.7 -0.6 78 70 A T + 0 0 1 -47,-2.3 39,-0.1 -2,-0.4 42,-0.0 -0.867 12.0 179.0-100.7 121.1 6.9 26.1 -3.3 79 71 A W > + 0 0 0 -2,-0.7 3,-2.6 2,-0.1 -1,-0.2 0.714 45.2 111.7 -89.2 -29.3 7.1 22.3 -2.8 80 72 A S T 3 S+ 0 0 2 1,-0.3 -44,-0.1 2,-0.2 39,-0.1 -0.240 83.0 24.1 -52.4 133.6 9.1 21.5 -5.9 81 73 A G T 3 S+ 0 0 31 2,-0.2 -1,-0.3 3,-0.1 -2,-0.1 0.062 111.4 76.2 92.0 -23.5 12.6 20.3 -4.9 82 74 A H S < S+ 0 0 1 -3,-2.6 10,-3.3 2,-0.1 2,-0.3 0.194 84.7 68.6-103.2 11.3 11.4 19.2 -1.4 83 75 A F B S-J 91 0B 39 8,-0.3 8,-0.2 -4,-0.1 -2,-0.2 -0.928 73.4-123.2-135.1 157.0 9.6 15.9 -2.4 84 76 A G - 0 0 39 6,-1.9 -3,-0.1 -2,-0.3 -1,-0.1 0.037 38.0 -67.8 -89.2-167.4 10.7 12.5 -3.7 85 77 A E > - 0 0 173 1,-0.2 4,-3.0 4,-0.1 3,-0.5 -0.141 65.2 -35.9 -79.0 173.1 10.0 10.4 -6.9 86 78 A A T 4 S+ 0 0 59 1,-0.3 -1,-0.2 2,-0.2 4,-0.0 -0.265 108.0 22.8 -58.3 152.0 7.0 8.5 -8.2 87 79 A P T 4 S+ 0 0 98 0, 0.0 -1,-0.3 0, 0.0 52,-0.1 -0.993 134.1 26.6 -92.6 -3.7 4.7 7.0 -7.3 88 80 A D T 4 S- 0 0 101 -3,-0.5 -2,-0.2 2,-0.1 3,-0.2 0.768 70.6-161.2 -87.0 -28.8 4.7 8.4 -3.7 89 81 A Y < - 0 0 27 -4,-3.0 2,-0.3 1,-0.2 -3,-0.1 0.935 24.3-158.3 46.3 52.1 6.2 11.9 -4.3 90 82 A K - 0 0 113 -5,-0.4 -6,-1.9 -7,-0.1 -1,-0.2 -0.504 10.8-128.1 -73.5 130.3 6.9 11.9 -0.5 91 83 A I B -J 83 0B 3 -2,-0.3 -8,-0.3 -8,-0.2 2,-0.2 -0.497 33.3-102.9 -77.7 140.3 7.4 15.4 0.9 92 84 A D > - 0 0 56 -10,-3.3 4,-2.3 -2,-0.2 3,-0.3 -0.482 26.3-132.6 -63.2 131.9 10.6 15.7 2.9 93 85 A E H > S+ 0 0 142 1,-0.2 4,-2.3 -2,-0.2 -1,-0.1 0.814 101.9 51.2 -58.6 -39.4 9.8 15.6 6.6 94 86 A K H > S+ 0 0 153 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.859 110.8 48.9 -67.5 -37.2 12.0 18.6 7.7 95 87 A W H > S+ 0 0 0 -3,-0.3 4,-2.4 2,-0.2 5,-0.3 0.961 112.5 47.3 -69.8 -45.5 10.4 20.8 5.0 96 88 A L H X S+ 0 0 20 -4,-2.3 4,-2.8 1,-0.2 -2,-0.2 0.937 110.7 53.7 -59.9 -43.9 6.9 19.8 6.0 97 89 A K H X S+ 0 0 122 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.909 110.4 46.3 -54.5 -47.5 7.7 20.5 9.7 98 90 A R H X S+ 0 0 9 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.908 111.1 50.4 -64.1 -40.7 9.0 24.0 8.9 99 91 A V H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 5,-0.2 0.925 111.0 50.8 -62.6 -42.8 5.9 24.8 6.7 100 92 A H H X S+ 0 0 37 -4,-2.8 4,-1.9 -5,-0.3 -2,-0.2 0.955 108.6 52.0 -60.5 -44.2 3.8 23.6 9.6 101 93 A E H X S+ 0 0 66 -4,-2.5 4,-0.9 1,-0.2 -1,-0.2 0.860 111.0 47.6 -56.4 -42.7 5.9 25.9 12.0 102 94 A V H >< S+ 0 0 0 -4,-2.3 3,-0.5 1,-0.2 5,-0.2 0.897 108.9 51.9 -71.6 -42.7 5.2 28.9 9.8 103 95 A V H 3X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.921 104.4 59.5 -56.8 -38.1 1.5 28.3 9.4 104 96 A D H 3X S+ 0 0 29 -4,-1.9 4,-2.7 1,-0.2 5,-0.3 0.790 90.2 72.7 -65.4 -27.6 1.3 28.1 13.2 105 97 A Y H << S+ 0 0 48 -4,-0.9 4,-0.3 -3,-0.5 -1,-0.2 0.946 113.5 21.2 -55.8 -57.8 2.6 31.6 13.6 106 98 A P H >4>S+ 0 0 0 0, 0.0 5,-1.9 0, 0.0 3,-0.6 0.870 124.6 58.3 -74.8 -35.6 -0.6 33.4 12.4 107 99 A Y H ><5S+ 0 0 38 -4,-2.3 3,-2.7 1,-0.3 -3,-0.2 0.954 104.0 47.8 -60.1 -47.7 -2.8 30.4 13.1 108 100 A K T 3<5S+ 0 0 136 -4,-2.7 -1,-0.3 1,-0.3 -3,-0.1 0.703 106.6 60.8 -73.8 -10.9 -2.1 30.1 16.8 109 101 A N T < 5S- 0 0 60 -3,-0.6 -1,-0.3 -4,-0.3 -2,-0.2 0.309 121.0-107.9 -94.3 11.5 -2.7 33.8 17.0 110 102 A G T < 5S+ 0 0 54 -3,-2.7 -3,-0.2 1,-0.3 2,-0.2 0.565 77.2 127.0 80.1 9.1 -6.4 33.4 15.8 111 103 A A < - 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