==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 03-JUL-09 3I4Z . COMPND 2 MOLECULE: TRYPTOPHAN DIMETHYLALLYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ASPERGILLUS FUMIGATUS; . AUTHOR C.SCHALL,G.ZOCHER,T.STEHLE . 859 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 34698.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 580 67.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 0.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 142 16.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.5 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 . 36 4.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 96 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 265 30.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 15 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 0 0 0 2 4 4 2 0 0 3 6 1 0 2 0 0 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 0 2 2 6 2 2 4 4 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 0 0 0 0 0 0 0 0 2 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 1 A M 0 0 233 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 161.5 52.1 105.7 25.4 2 2 A K - 0 0 211 1,-0.1 2,-0.2 0, 0.0 0, 0.0 -0.317 360.0-147.1 -51.2 136.5 49.2 106.4 23.1 3 3 A A - 0 0 79 1,-0.1 -1,-0.1 382,-0.1 375,-0.0 -0.684 23.2 -76.1-113.5 162.2 48.3 103.0 21.5 4 4 A A - 0 0 47 -2,-0.2 2,-0.4 374,-0.0 -1,-0.1 -0.254 42.4-163.9 -56.8 142.3 47.0 102.0 18.1 5 5 A N > - 0 0 31 1,-0.1 3,-2.3 378,-0.1 4,-0.2 -0.985 19.4-146.3-133.8 120.5 43.2 102.5 17.6 6 6 A A G > S+ 0 0 0 376,-2.6 3,-1.9 -2,-0.4 6,-0.2 0.744 96.3 73.0 -62.1 -21.3 41.3 100.8 14.8 7 7 A S G 3 S+ 0 0 6 375,-0.3 -1,-0.3 1,-0.3 376,-0.1 0.627 89.1 63.4 -66.7 -11.5 39.1 103.9 14.4 8 8 A S G < S+ 0 0 73 -3,-2.3 -1,-0.3 4,-0.1 -2,-0.2 0.513 70.2 127.1 -84.3 -7.3 42.1 105.6 12.8 9 9 A A <> - 0 0 1 -3,-1.9 4,-2.1 -4,-0.2 3,-0.2 -0.326 59.7-139.5 -59.4 126.7 42.2 103.1 9.9 10 10 A E H > S+ 0 0 124 1,-0.2 4,-3.1 2,-0.2 5,-0.3 0.866 97.5 53.2 -62.1 -42.1 42.2 105.4 6.8 11 11 A A H > S+ 0 0 1 1,-0.2 4,-2.4 2,-0.2 5,-0.3 0.901 109.9 50.9 -61.9 -39.8 39.8 103.4 4.6 12 12 A Y H > S+ 0 0 27 -3,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.934 113.4 44.3 -58.0 -48.5 37.3 103.5 7.5 13 13 A R H X S+ 0 0 138 -4,-2.1 4,-1.1 2,-0.2 -2,-0.2 0.915 115.2 47.0 -66.7 -42.4 37.6 107.2 7.9 14 14 A V H >X S+ 0 0 59 -4,-3.1 4,-1.0 1,-0.2 3,-0.9 0.958 112.9 47.5 -65.8 -48.1 37.5 108.0 4.1 15 15 A L H >X S+ 0 0 13 -4,-2.4 4,-2.2 1,-0.3 3,-0.6 0.860 106.2 59.4 -63.9 -33.3 34.5 105.8 3.4 16 16 A S H 3< S+ 0 0 35 -4,-1.8 -1,-0.3 -5,-0.3 -2,-0.2 0.801 105.3 50.4 -62.2 -30.3 32.7 107.3 6.4 17 17 A R H << S+ 0 0 216 -4,-1.1 -1,-0.2 -3,-0.9 -2,-0.2 0.706 117.1 40.3 -75.0 -23.3 33.1 110.7 4.7 18 18 A A H << S+ 0 0 78 -4,-1.0 -2,-0.2 -3,-0.6 -3,-0.1 0.737 90.4 101.2 -98.2 -30.4 31.6 109.3 1.4 19 19 A F < - 0 0 34 -4,-2.2 2,-0.4 -5,-0.1 37,-0.0 -0.365 56.4-143.5 -77.0 141.9 28.7 107.0 2.4 20 20 A R - 0 0 182 -2,-0.1 2,-0.4 2,-0.0 -1,-0.1 -0.806 17.4-173.8 -87.8 132.2 25.0 107.7 2.3 21 21 A F + 0 0 41 -2,-0.4 3,-0.1 1,-0.1 -2,-0.0 -0.994 12.2 178.0-125.0 124.5 23.0 106.1 5.1 22 22 A D S S+ 0 0 120 -2,-0.4 2,-0.4 1,-0.1 -1,-0.1 0.376 71.0 53.1 -99.5 2.7 19.3 106.4 4.9 23 23 A N S > S- 0 0 64 1,-0.1 4,-1.5 0, 0.0 5,-0.1 -0.999 72.4-141.0-143.9 133.6 18.7 104.4 8.0 24 24 A E H > S+ 0 0 116 -2,-0.4 4,-2.5 1,-0.2 5,-0.2 0.842 101.4 58.9 -67.6 -35.2 20.2 104.9 11.5 25 25 A D H > S+ 0 0 59 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.904 106.7 47.3 -59.7 -40.7 20.6 101.1 12.2 26 26 A Q H > S+ 0 0 44 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.893 111.0 51.5 -70.4 -37.9 22.9 100.8 9.1 27 27 A K H X S+ 0 0 92 -4,-1.5 4,-2.4 2,-0.2 5,-0.2 0.929 111.6 47.1 -62.2 -45.0 25.0 103.8 10.1 28 28 A L H X S+ 0 0 53 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.928 110.7 51.8 -61.9 -45.0 25.4 102.3 13.6 29 29 A W H X S+ 0 0 0 -4,-2.4 4,-1.9 1,-0.2 5,-0.4 0.911 110.0 50.8 -59.9 -43.6 26.4 98.9 12.2 30 30 A W H X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 -1,-0.2 0.949 114.2 41.1 -57.0 -52.3 29.0 100.6 10.0 31 31 A H H < S+ 0 0 51 -4,-2.4 391,-0.2 1,-0.2 -2,-0.2 0.845 115.0 53.8 -71.4 -27.0 30.6 102.5 12.8 32 32 A S H < S+ 0 0 0 -4,-2.6 387,-2.7 -5,-0.2 4,-0.2 0.874 125.3 18.3 -69.0 -39.1 30.4 99.6 15.2 33 33 A T H X S+ 0 0 0 -4,-1.9 4,-1.9 -5,-0.2 -2,-0.2 0.727 107.2 74.8-110.2 -30.9 32.1 97.0 12.9 34 34 A A H X S+ 0 0 0 -4,-2.7 4,-3.3 -5,-0.4 5,-0.4 0.803 87.3 61.1 -63.2 -32.1 34.1 98.9 10.2 35 35 A P H > S+ 0 0 0 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.980 112.8 38.6 -59.2 -50.8 37.0 100.1 12.4 36 36 A M H > S+ 0 0 0 -4,-0.2 4,-2.9 2,-0.2 5,-0.2 0.897 116.6 51.2 -61.0 -45.7 38.0 96.5 13.2 37 37 A F H X S+ 0 0 0 -4,-1.9 4,-2.6 2,-0.2 5,-0.2 0.967 113.4 44.5 -60.2 -49.7 37.2 95.3 9.7 38 38 A A H X S+ 0 0 0 -4,-3.3 4,-2.9 1,-0.2 -2,-0.2 0.931 115.4 48.1 -61.7 -45.8 39.4 98.1 8.0 39 39 A K H X S+ 0 0 22 -4,-2.6 4,-2.7 -5,-0.4 -1,-0.2 0.906 110.5 51.6 -62.9 -40.2 42.2 97.6 10.5 40 40 A M H X S+ 0 0 0 -4,-2.9 4,-1.9 2,-0.2 -2,-0.2 0.931 111.3 47.4 -60.4 -47.4 42.1 93.8 10.0 41 41 A L H <>S+ 0 0 0 -4,-2.6 5,-2.4 -5,-0.2 -2,-0.2 0.930 112.7 49.7 -59.2 -43.9 42.3 94.2 6.2 42 42 A E H ><5S+ 0 0 68 -4,-2.9 3,-1.6 1,-0.2 -2,-0.2 0.939 112.4 46.1 -59.6 -48.9 45.2 96.7 6.5 43 43 A T H 3<5S+ 0 0 46 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.793 106.0 59.5 -70.6 -24.9 47.2 94.5 8.8 44 44 A A T 3<5S- 0 0 8 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.288 119.5-111.2 -83.0 8.8 46.6 91.4 6.6 45 45 A N T < 5 + 0 0 135 -3,-1.6 2,-0.2 1,-0.2 -3,-0.2 0.746 57.2 164.6 66.1 30.2 48.3 93.4 3.8 46 46 A Y < - 0 0 24 -5,-2.4 -1,-0.2 -6,-0.2 134,-0.0 -0.557 43.1-109.3 -68.6 141.1 45.3 94.0 1.6 47 47 A T > - 0 0 83 -2,-0.2 4,-2.5 1,-0.1 5,-0.2 -0.270 27.8-107.5 -66.5 160.0 46.0 96.8 -1.0 48 48 A T H > S+ 0 0 66 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.922 120.8 51.0 -59.7 -42.7 44.2 100.1 -0.5 49 49 A P H > S+ 0 0 92 0, 0.0 4,-2.8 0, 0.0 -1,-0.2 0.910 111.2 49.2 -63.1 -37.1 41.9 99.5 -3.5 50 50 A C H > S+ 0 0 27 2,-0.2 4,-2.8 1,-0.2 5,-0.3 0.896 107.6 54.5 -65.2 -40.5 41.0 96.0 -2.1 51 51 A Q H X S+ 0 0 15 -4,-2.5 4,-2.2 2,-0.2 5,-0.2 0.961 112.5 43.3 -56.7 -50.7 40.3 97.5 1.3 52 52 A Y H X S+ 0 0 67 -4,-2.4 4,-2.5 1,-0.2 5,-0.3 0.949 113.5 52.5 -58.2 -49.9 37.9 100.0 -0.3 53 53 A Q H X S+ 0 0 74 -4,-2.8 4,-2.5 1,-0.2 5,-0.2 0.941 112.8 41.6 -54.3 -51.7 36.3 97.3 -2.5 54 54 A Y H X S+ 0 0 4 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.883 114.9 50.1 -71.0 -36.3 35.5 94.8 0.3 55 55 A L H X S+ 0 0 0 -4,-2.2 4,-2.8 -5,-0.3 -1,-0.2 0.859 111.0 50.4 -67.8 -33.7 34.3 97.5 2.8 56 56 A I H X S+ 0 0 54 -4,-2.5 4,-3.3 -5,-0.2 5,-0.4 0.932 110.4 47.8 -69.6 -47.2 32.0 99.0 0.1 57 57 A T H X>S+ 0 0 21 -4,-2.5 4,-3.0 -5,-0.3 5,-0.8 0.926 113.2 50.4 -58.9 -43.1 30.5 95.6 -0.8 58 58 A Y H X>S+ 0 0 0 -4,-2.2 5,-2.5 -5,-0.2 4,-1.7 0.965 114.5 43.1 -56.0 -52.7 30.0 95.0 3.0 59 59 A K H <5S+ 0 0 22 -4,-2.8 -2,-0.2 3,-0.2 -1,-0.2 0.915 123.2 36.0 -62.6 -45.1 28.3 98.3 3.5 60 60 A E H <5S+ 0 0 118 -4,-3.3 -1,-0.2 -5,-0.1 -2,-0.2 0.856 131.2 24.5 -80.2 -36.5 26.1 98.2 0.5 61 61 A C H <5S+ 0 0 13 -4,-3.0 -3,-0.2 -5,-0.4 -2,-0.2 0.759 130.6 28.7-102.0 -27.6 25.2 94.5 0.3 62 62 A V T >< - 0 0 3 6,-2.3 3,-0.8 -2,-0.7 6,-0.3 -0.631 22.7-140.0 -93.6 144.4 21.6 84.6 15.8 80 80 A I T 3 S+ 0 0 75 -2,-0.3 -1,-0.1 1,-0.2 6,-0.1 0.602 89.3 90.0 -67.7 -11.8 23.4 81.3 16.4 81 81 A L T 3 S+ 0 0 11 4,-0.1 2,-0.3 1,-0.1 -1,-0.2 0.853 96.6 15.7 -60.5 -38.8 26.5 83.0 14.8 82 82 A T S X S- 0 0 17 -3,-0.8 3,-1.7 4,-0.3 -1,-0.1 -0.931 76.8-114.0-132.5 163.9 27.8 84.4 18.2 83 83 A R T 3 S+ 0 0 36 -2,-0.3 232,-2.5 1,-0.3 -1,-0.1 0.806 118.7 54.2 -67.3 -25.4 27.2 83.8 21.8 84 84 A Y T 3 S- 0 0 7 230,-0.2 -1,-0.3 2,-0.1 233,-0.2 0.408 115.3-116.9 -86.9 1.7 25.7 87.3 22.1 85 85 A G < + 0 0 0 -3,-1.7 -6,-2.3 -6,-0.3 -2,-0.1 0.633 64.2 147.6 77.8 7.9 23.3 86.6 19.3 86 86 A T - 0 0 1 -8,-0.2 -4,-0.3 1,-0.1 -1,-0.3 -0.586 49.0-133.5 -79.3 147.6 24.7 89.2 17.0 87 87 A P S S+ 0 0 3 0, 0.0 17,-1.7 0, 0.0 2,-0.3 0.084 75.7 67.6 -94.1 27.3 24.6 88.4 13.3 88 88 A F E +B 103 0B 1 15,-0.2 328,-0.4 -9,-0.1 2,-0.3 -0.996 48.2 167.6-146.7 138.6 28.1 89.3 12.2 89 89 A E E -B 102 0B 5 13,-2.2 13,-2.4 -2,-0.3 2,-0.3 -0.932 20.4-145.7-154.5 128.4 31.6 87.9 12.8 90 90 A L E -BC 101 414B 0 324,-0.7 324,-2.4 -2,-0.3 2,-0.3 -0.648 16.6-172.8 -83.5 151.8 35.0 88.4 11.3 91 91 A S E -BC 100 413B 4 9,-2.7 9,-2.6 -2,-0.3 2,-0.5 -0.991 10.3-151.4-141.0 145.1 37.6 85.6 11.0 92 92 A L E -BC 99 412B 14 320,-2.3 320,-2.5 -2,-0.3 2,-1.0 -0.979 12.0-143.8-121.7 126.7 41.3 85.7 10.0 93 93 A N E >> -BC 98 411B 17 5,-2.9 4,-1.2 -2,-0.5 5,-1.0 -0.797 19.6-166.7 -79.9 102.4 43.1 82.8 8.3 94 94 A C T 45S+ 0 0 3 316,-2.1 -1,-0.2 -2,-1.0 317,-0.2 0.725 78.0 60.4 -68.0 -21.6 46.4 83.5 10.0 95 95 A S T 45S+ 0 0 31 315,-0.9 -1,-0.2 1,-0.2 316,-0.1 0.890 123.6 16.8 -76.8 -36.1 48.3 81.1 7.7 96 96 A N T 45S- 0 0 75 -3,-0.2 -2,-0.2 314,-0.2 -1,-0.2 0.311 100.1-120.0-119.3 10.0 47.5 82.9 4.5 97 97 A S T <5 + 0 0 34 -4,-1.2 2,-0.5 1,-0.2 -3,-0.2 0.837 58.1 153.4 53.1 39.5 46.3 86.3 5.8 98 98 A I E < -B 93 0B 37 -5,-1.0 -5,-2.9 82,-0.0 2,-0.3 -0.895 36.1-142.4 -97.7 129.4 42.9 86.0 4.2 99 99 A V E +B 92 0B 0 -2,-0.5 80,-2.6 80,-0.5 2,-0.3 -0.684 22.8 178.0 -88.1 141.8 40.0 87.9 5.9 100 100 A R E -BD 91 178B 34 -9,-2.6 -9,-2.7 -2,-0.3 2,-0.3 -0.942 8.9-167.7-135.7 151.9 36.6 86.3 6.1 101 101 A Y E -BD 90 177B 2 76,-2.0 76,-2.7 -2,-0.3 2,-0.4 -0.995 4.4-159.2-141.1 154.0 33.3 87.2 7.5 102 102 A T E +BD 89 176B 13 -13,-2.4 -13,-2.2 -2,-0.3 2,-0.3 -0.959 13.8 174.8-123.9 147.9 30.0 85.5 8.2 103 103 A F E -BD 88 175B 0 72,-2.6 72,-2.7 -2,-0.4 -15,-0.2 -0.984 30.5-127.3-146.9 156.8 26.6 86.9 8.7 104 104 A E - 0 0 0 -17,-1.7 70,-0.2 -2,-0.3 2,-0.1 -0.933 35.5-124.9-103.1 116.1 23.0 85.8 9.2 105 105 A P + 0 0 0 0, 0.0 2,-0.4 0, 0.0 17,-0.2 -0.354 34.7 177.9 -62.0 134.0 20.8 87.6 6.7 106 106 A I B +a 66 0A 13 -41,-2.3 -39,-0.5 15,-0.2 2,-0.2 -0.987 2.5 172.8-132.8 139.8 17.9 89.4 8.3 107 107 A N > - 0 0 33 -2,-0.4 3,-1.5 -41,-0.1 14,-0.1 -0.770 52.0 -76.6-136.1-170.6 15.2 91.5 6.7 108 108 A Q T 3 S+ 0 0 161 1,-0.3 -2,-0.0 -2,-0.2 13,-0.0 0.728 128.0 49.1 -61.7 -24.0 11.9 93.3 7.6 109 109 A H T > S+ 0 0 81 5,-0.1 3,-2.2 2,-0.1 6,-0.6 0.579 80.0 121.2 -90.7 -12.6 10.0 90.1 7.8 110 110 A T B < S+l 115 0C 18 -3,-1.5 3,-0.1 1,-0.3 -4,-0.1 -0.316 86.7 4.6 -55.1 124.3 12.5 88.2 10.0 111 111 A G T 3 S+ 0 0 42 4,-2.7 -1,-0.3 1,-0.3 2,-0.1 0.467 108.3 109.6 77.6 3.7 10.8 87.1 13.2 112 112 A T S X S- 0 0 54 -3,-2.2 3,-1.3 3,-0.3 -1,-0.3 -0.426 92.7 -92.3 -93.4 178.7 7.3 88.3 12.1 113 113 A D T 3 S+ 0 0 139 1,-0.3 46,-0.1 2,-0.2 -3,-0.1 0.673 127.1 62.3 -68.5 -10.3 4.4 86.0 11.1 114 114 A K T 3 S+ 0 0 139 -5,-0.2 -1,-0.3 1,-0.2 -4,-0.1 0.718 129.7 3.0 -81.2 -22.9 5.7 86.2 7.5 115 115 A D B X S+l 110 0C 1 -3,-1.3 -4,-2.7 -6,-0.6 3,-1.5 -0.297 70.1 166.4-160.5 69.0 9.0 84.6 8.5 116 116 A P T 3 S+ 0 0 13 0, 0.0 -3,-0.1 0, 0.0 54,-0.1 0.715 83.7 37.2 -70.0 -20.9 9.1 83.5 12.2 117 117 A F T 3 S- 0 0 0 -5,-0.1 55,-0.3 33,-0.0 33,-0.1 0.194 110.0-115.3-112.4 14.3 12.2 81.3 11.9 118 118 A N < + 0 0 1 -3,-1.5 54,-0.5 -6,-0.2 55,-0.3 0.914 68.0 140.6 56.1 48.4 14.1 83.5 9.4 119 119 A T + 0 0 0 1,-0.1 4,-0.1 53,-0.1 -1,-0.1 0.603 66.2 45.7 -94.4 -12.7 14.1 81.0 6.6 120 120 A H S > S+ 0 0 71 1,-0.1 3,-1.3 2,-0.1 4,-0.5 0.710 87.8 79.1-105.2 -23.3 13.4 83.4 3.7 121 121 A A T >> S+ 0 0 2 1,-0.3 4,-1.5 -16,-0.2 3,-1.1 0.765 79.2 71.4 -63.1 -30.4 15.7 86.4 4.2 122 122 A I H 3> S+ 0 0 0 1,-0.3 4,-2.3 -17,-0.2 -1,-0.3 0.844 90.4 61.2 -55.6 -33.8 18.8 84.7 2.8 123 123 A W H <> S+ 0 0 90 -3,-1.3 4,-2.0 1,-0.2 -1,-0.3 0.852 101.7 51.9 -64.0 -32.2 17.4 84.9 -0.7 124 124 A E H <> S+ 0 0 75 -3,-1.1 4,-1.4 -4,-0.5 -1,-0.2 0.912 109.8 48.4 -73.7 -39.5 17.3 88.7 -0.6 125 125 A S H X S+ 0 0 0 -4,-1.5 4,-1.5 1,-0.2 -2,-0.2 0.888 110.8 51.5 -63.8 -41.1 21.0 88.8 0.5 126 126 A L H X S+ 0 0 4 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.899 103.0 59.8 -60.3 -39.6 21.9 86.4 -2.3 127 127 A Q H < S+ 0 0 142 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.891 109.2 44.0 -54.1 -42.3 20.0 88.7 -4.8 128 128 A H H < S+ 0 0 74 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.778 118.0 41.6 -76.2 -30.8 22.4 91.5 -3.9 129 129 A L H >< S+ 0 0 0 -4,-1.5 3,-2.0 -3,-0.2 4,-0.5 0.826 96.6 75.4 -86.9 -36.7 25.7 89.5 -3.9 130 130 A L G >< S+ 0 0 47 -4,-2.7 3,-1.6 1,-0.3 6,-0.3 0.857 89.2 57.0 -46.7 -46.6 25.1 87.4 -7.0 131 131 A P G 3 S+ 0 0 81 0, 0.0 -1,-0.3 0, 0.0 3,-0.2 0.735 102.8 58.2 -62.8 -15.9 25.8 90.1 -9.6 132 132 A L G < S+ 0 0 91 -3,-2.0 2,-0.3 1,-0.2 -2,-0.2 0.605 110.7 36.4 -91.0 -13.0 29.2 90.8 -8.1 133 133 A E X - 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