==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-MAY-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 07-MAY-12 4F2G . COMPND 2 MOLECULE: ORNITHINE CARBAMOYLTRANSFERASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: BURKHOLDERIA THAILANDENSIS; . AUTHOR T.K.CRAIG,D.FOX,B.STAKER,L.STEWART,SEATTLE STRUCTURAL GENOMI . 290 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12726.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 214 73.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 48 16.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.7 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 . 4 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 16 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 13.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 91 31.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 2.8 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 0 0 1 0 1 0 2 0 1 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 1 2 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 PARALLEL BRIDGES PER LADDER . 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 0 ANTIPARALLEL BRIDGES PER LADDER . 0 2 0 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 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 6 A I 0 0 133 0, 0.0 2,-0.3 0, 0.0 117,-0.1 0.000 360.0 360.0 360.0 118.0 -11.7 10.4 -25.9 2 7 A R - 0 0 109 284,-0.3 2,-0.3 2,-0.0 118,-0.1 -0.778 360.0-164.4 -96.2 148.0 -14.0 11.9 -23.4 3 8 A H - 0 0 42 -2,-0.3 2,-0.3 116,-0.2 118,-0.2 -0.769 21.1-139.7-120.5 171.0 -12.8 12.6 -19.9 4 9 A Y B +a 121 0A 0 116,-3.1 118,-3.3 -2,-0.3 127,-0.1 -0.700 52.9 129.4-129.8 77.9 -14.5 13.3 -16.5 5 10 A L S S+ 0 0 5 -2,-0.3 2,-0.3 1,-0.3 -1,-0.1 0.740 72.1 21.1-104.3 -32.6 -12.3 16.1 -15.0 6 11 A Q S > S- 0 0 30 -3,-0.1 3,-2.1 1,-0.1 -1,-0.3 -0.963 78.0-115.4-134.2 153.4 -14.9 18.7 -14.1 7 12 A F G > S+ 0 0 0 -2,-0.3 3,-1.5 1,-0.3 -1,-0.1 0.888 115.1 61.2 -54.2 -37.9 -18.6 18.5 -13.5 8 13 A K G 3 S+ 0 0 88 1,-0.3 -1,-0.3 -3,-0.0 -4,-0.0 0.436 78.5 86.4 -75.5 3.0 -19.2 20.7 -16.5 9 14 A D G < S+ 0 0 61 -3,-2.1 2,-0.3 2,-0.1 -1,-0.3 0.730 86.0 63.7 -69.5 -22.5 -17.5 18.2 -18.8 10 15 A F S < S- 0 0 4 -3,-1.5 2,-0.1 -4,-0.3 161,-0.0 -0.816 81.0-133.9-104.7 145.8 -20.9 16.5 -19.2 11 16 A S > - 0 0 45 -2,-0.3 4,-2.3 1,-0.1 5,-0.2 -0.350 33.1 -99.7 -85.0 171.7 -24.0 18.0 -20.7 12 17 A L H > S+ 0 0 48 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.916 127.8 52.0 -53.6 -45.9 -27.5 18.0 -19.3 13 18 A E H > S+ 0 0 103 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.912 106.9 52.6 -58.6 -44.8 -28.3 15.1 -21.7 14 19 A D H > S+ 0 0 17 1,-0.2 4,-2.8 2,-0.2 -2,-0.2 0.931 111.2 47.0 -55.2 -49.4 -25.2 13.2 -20.5 15 20 A Y H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 5,-0.3 0.866 106.9 55.7 -63.7 -39.8 -26.3 13.5 -16.8 16 21 A E H X S+ 0 0 104 -4,-2.4 4,-1.6 1,-0.2 -1,-0.2 0.936 113.9 42.9 -58.3 -44.1 -29.9 12.4 -17.6 17 22 A Y H X S+ 0 0 26 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.949 115.1 47.3 -63.6 -51.7 -28.4 9.3 -19.1 18 23 A V H X S+ 0 0 0 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.870 111.0 51.3 -64.1 -38.5 -25.8 8.6 -16.4 19 24 A L H X S+ 0 0 10 -4,-2.6 4,-1.6 2,-0.2 -1,-0.2 0.902 111.4 47.7 -66.1 -37.2 -28.2 9.1 -13.6 20 25 A E H X S+ 0 0 130 -4,-1.6 4,-2.1 -5,-0.3 -2,-0.2 0.916 111.7 49.8 -70.4 -42.6 -30.7 6.7 -15.1 21 26 A R H X S+ 0 0 30 -4,-2.7 4,-3.2 1,-0.2 5,-0.3 0.879 105.6 59.2 -58.3 -40.2 -27.9 4.1 -15.7 22 27 A T H X S+ 0 0 0 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.927 108.0 44.1 -56.0 -46.7 -26.8 4.6 -12.1 23 28 A G H X S+ 0 0 6 -4,-1.6 4,-1.8 2,-0.2 -1,-0.2 0.895 114.6 49.8 -66.2 -41.0 -30.3 3.5 -10.9 24 29 A I H X S+ 0 0 45 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.934 113.2 44.5 -62.9 -47.3 -30.3 0.6 -13.3 25 30 A L H X S+ 0 0 3 -4,-3.2 4,-2.4 1,-0.2 -2,-0.2 0.844 110.7 55.3 -68.7 -32.5 -26.9 -0.7 -12.4 26 31 A K H X S+ 0 0 33 -4,-2.1 4,-3.0 -5,-0.3 -1,-0.2 0.896 106.9 50.8 -65.6 -39.0 -27.7 -0.3 -8.7 27 32 A R H X S+ 0 0 154 -4,-1.8 4,-1.6 2,-0.2 -2,-0.2 0.881 109.7 49.5 -64.8 -39.5 -30.8 -2.5 -9.2 28 33 A K H <>S+ 0 0 43 -4,-1.9 5,-2.4 2,-0.2 4,-0.3 0.902 111.1 51.0 -63.7 -42.2 -28.6 -5.1 -10.9 29 34 A F H ><5S+ 0 0 92 -4,-2.4 3,-1.5 1,-0.2 -2,-0.2 0.958 112.9 44.4 -55.8 -52.6 -26.3 -4.8 -7.9 30 35 A K H 3<5S+ 0 0 82 -4,-3.0 -2,-0.2 1,-0.3 -1,-0.2 0.742 113.0 52.5 -71.2 -19.4 -29.2 -5.3 -5.5 31 36 A N T 3<5S- 0 0 120 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.378 106.2-125.5 -92.4 3.5 -30.5 -8.2 -7.6 32 37 A Y T < 5 + 0 0 91 -3,-1.5 2,-0.4 -4,-0.3 -3,-0.2 0.899 53.2 163.0 51.5 40.9 -27.2 -10.1 -7.6 33 38 A E < - 0 0 102 -5,-2.4 2,-0.7 -6,-0.1 -1,-0.2 -0.774 41.5-122.1 -90.3 132.5 -27.5 -10.0 -11.4 34 39 A T + 0 0 114 -2,-0.4 2,-0.4 -3,-0.1 31,-0.1 -0.676 41.9 162.6 -79.9 115.7 -24.2 -10.8 -13.3 35 40 A Y + 0 0 64 -2,-0.7 3,-0.2 29,-0.5 -2,-0.0 -0.942 6.8 167.2-136.9 112.3 -23.4 -7.9 -15.6 36 41 A H > + 0 0 93 -2,-0.4 3,-1.5 1,-0.1 29,-0.1 -0.460 15.3 148.2-127.5 62.1 -19.8 -7.6 -16.9 37 42 A P T 3 S+ 0 0 24 0, 0.0 29,-0.1 0, 0.0 -1,-0.1 0.747 79.0 53.3 -66.5 -20.6 -19.6 -5.1 -19.7 38 43 A L T > S+ 0 0 0 27,-2.4 3,-2.2 -3,-0.2 30,-0.2 0.073 76.3 154.9-103.5 24.3 -16.1 -4.2 -18.7 39 44 A H T < S+ 0 0 112 -3,-1.5 28,-0.2 1,-0.3 3,-0.1 -0.208 72.4 9.9 -50.4 136.8 -14.7 -7.7 -18.7 40 45 A D T 3 S+ 0 0 140 26,-1.2 2,-0.3 1,-0.2 -1,-0.3 0.570 100.3 129.0 67.8 8.7 -11.0 -7.8 -19.2 41 46 A R < - 0 0 79 -3,-2.2 27,-2.1 25,-0.2 2,-0.4 -0.765 45.5-148.6 -96.0 144.9 -10.8 -4.0 -18.8 42 47 A T E -b 68 0A 37 -2,-0.3 55,-2.3 25,-0.2 56,-1.4 -0.904 6.3-159.6-118.6 136.5 -8.3 -2.3 -16.4 43 48 A L E -bc 69 98A 0 25,-2.7 27,-3.3 -2,-0.4 2,-0.7 -0.961 12.3-147.1-109.4 124.6 -8.6 0.9 -14.4 44 49 A A E -bc 70 99A 0 54,-2.2 56,-3.0 -2,-0.5 2,-0.8 -0.830 11.0-158.5 -87.4 119.2 -5.4 2.6 -13.2 45 50 A M E -bc 71 100A 0 25,-3.2 27,-3.5 -2,-0.7 2,-0.9 -0.882 6.6-168.5 -99.6 106.2 -6.1 4.2 -9.8 46 51 A I E -bc 72 101A 12 54,-3.3 56,-2.6 -2,-0.8 2,-0.6 -0.829 6.0-173.5 -98.9 102.6 -3.5 6.9 -9.3 47 52 A F E + c 0 102A 4 25,-1.9 27,-0.4 -2,-0.9 56,-0.2 -0.862 26.3 154.5-101.1 116.7 -3.7 8.1 -5.7 48 53 A E S S+ 0 0 35 54,-3.0 2,-0.4 -2,-0.6 55,-0.2 0.513 80.9 46.4-111.9 -15.4 -1.5 11.1 -4.7 49 54 A K S S- 0 0 62 53,-1.1 -1,-0.3 -3,-0.2 2,-0.0 -0.997 98.3-121.1-120.0 126.1 -4.0 12.0 -1.9 50 55 A S + 0 0 113 -2,-0.4 2,-0.2 -3,-0.1 -2,-0.0 -0.278 40.8 153.3 -73.2 137.5 -5.0 9.0 0.1 51 56 A S > - 0 0 9 1,-0.1 4,-1.8 2,-0.0 5,-0.2 -0.614 23.2-171.7-155.4 111.3 -8.6 7.7 0.6 52 57 A T H > S+ 0 0 113 1,-0.2 4,-3.6 2,-0.2 5,-0.2 0.945 91.5 60.2 -63.5 -41.1 -9.6 4.2 1.4 53 58 A R H > S+ 0 0 103 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.884 110.3 40.0 -45.6 -50.5 -13.2 5.1 0.9 54 59 A T H > S+ 0 0 3 2,-0.2 4,-2.1 1,-0.2 5,-0.3 0.793 112.5 55.4 -79.7 -27.5 -12.6 6.1 -2.8 55 60 A R H X S+ 0 0 88 -4,-1.8 4,-2.9 2,-0.2 5,-0.3 0.965 111.7 45.5 -63.1 -52.3 -10.2 3.2 -3.4 56 61 A L H X>S+ 0 0 117 -4,-3.6 4,-3.0 2,-0.2 5,-0.5 0.947 112.0 50.7 -51.9 -53.9 -13.0 0.9 -2.3 57 62 A S H X5S+ 0 0 10 -4,-2.5 4,-1.3 -5,-0.2 -2,-0.2 0.924 118.6 36.0 -58.4 -47.4 -15.7 2.6 -4.3 58 63 A F H X5S+ 0 0 0 -4,-2.1 4,-2.2 2,-0.2 5,-0.3 0.920 120.3 48.6 -68.6 -43.9 -13.8 2.6 -7.6 59 64 A E H X5S+ 0 0 73 -4,-2.9 4,-1.6 -5,-0.3 10,-0.2 0.927 115.9 40.3 -66.3 -48.8 -12.1 -0.8 -7.0 60 65 A A H X5S+ 0 0 26 -4,-3.0 4,-2.3 -5,-0.3 -1,-0.2 0.851 113.7 58.8 -65.9 -34.7 -15.3 -2.7 -6.0 61 66 A G H XS+ 0 0 0 -4,-2.2 5,-3.0 2,-0.2 3,-0.4 0.867 112.5 56.9 -75.3 -31.4 -15.1 -2.0 -11.7 63 68 A F H ><5S+ 0 0 148 -4,-1.6 3,-2.2 -5,-0.3 -2,-0.2 0.945 104.7 52.0 -55.9 -49.5 -14.9 -5.5 -10.3 64 69 A Q H 3<5S+ 0 0 49 -4,-2.3 -29,-0.5 1,-0.3 -1,-0.2 0.702 108.4 52.5 -62.6 -19.8 -18.7 -5.7 -10.2 65 70 A L T 3<5S- 0 0 3 -4,-0.7 -27,-2.4 -3,-0.4 -1,-0.3 0.350 126.9-100.9 -96.3 3.8 -18.5 -4.6 -13.9 66 71 A G T < 5S+ 0 0 24 -3,-2.2 -26,-1.2 1,-0.3 -3,-0.2 0.456 88.3 102.5 95.9 2.3 -16.1 -7.4 -14.7 67 72 A G < - 0 0 11 -5,-3.0 2,-0.3 -28,-0.2 -1,-0.3 -0.227 62.9-117.9-106.0-164.2 -12.9 -5.4 -14.8 68 73 A H E -b 42 0A 118 -27,-2.1 -25,-2.7 -30,-0.2 2,-0.4 -0.997 10.3-146.3-145.5 133.3 -9.9 -4.8 -12.5 69 74 A A E -b 43 0A 7 -2,-0.3 2,-0.5 -10,-0.2 -25,-0.2 -0.837 9.6-152.2-100.9 134.9 -8.5 -1.7 -10.7 70 75 A V E -b 44 0A 58 -27,-3.3 -25,-3.2 -2,-0.4 2,-0.6 -0.927 14.5-137.5-107.1 122.9 -4.7 -1.3 -10.2 71 76 A F E -b 45 0A 84 -2,-0.5 2,-0.6 -27,-0.2 -25,-0.2 -0.688 22.8-175.8 -83.8 115.3 -3.8 0.8 -7.1 72 77 A M E +b 46 0A 72 -27,-3.5 -25,-1.9 -2,-0.6 2,-0.4 -0.893 18.2 144.5-120.4 105.0 -0.9 3.1 -7.9 73 78 A S - 0 0 66 -2,-0.6 2,-0.3 -27,-0.2 -25,-0.1 -0.999 23.8-166.2-141.9 132.0 0.5 5.2 -5.1 74 79 A T - 0 0 77 -27,-0.4 -2,-0.0 -2,-0.4 0, 0.0 -0.919 13.8-149.5-120.9 149.3 4.1 6.3 -4.4 75 80 A R S S+ 0 0 93 -2,-0.3 -1,-0.1 1,-0.1 0, 0.0 0.935 89.4 32.3 -81.2 -45.9 5.5 7.8 -1.2 76 81 A D S S+ 0 0 160 6,-0.0 2,-0.3 2,-0.0 -1,-0.1 0.527 114.7 36.7-103.9 -7.5 8.3 10.0 -2.4 77 82 A T - 0 0 57 5,-0.1 2,-0.3 3,-0.0 -3,-0.3 -0.842 54.9-170.1-134.2 174.3 7.2 11.5 -5.8 78 83 A Q E > > -Ef 81 82B 62 3,-3.1 3,-2.0 -2,-0.3 5,-1.1 -0.971 43.5 -66.6-155.3 166.5 4.1 12.7 -7.7 79 84 A L E 3 5S+ f 0 83B 3 -2,-0.3 29,-0.1 1,-0.3 30,-0.1 -0.396 124.3 17.4 -57.2 128.6 3.0 13.7 -11.1 80 85 A G T 3 5S+ 0 0 50 3,-2.4 2,-0.3 -2,-0.1 -1,-0.3 0.240 123.4 71.4 88.8 -14.0 4.8 16.9 -12.2 81 86 A R B < 5S-E 78 0B 181 -3,-2.0 -3,-3.1 2,-0.3 0, 0.0 -0.807 123.0 -22.7-133.4 104.3 7.3 16.3 -9.4 82 87 A G E 5S+f 78 0B 69 -2,-0.3 -3,-0.1 -5,-0.2 -5,-0.1 0.264 130.7 70.7 84.7 -11.4 9.8 13.5 -9.7 83 88 A E E - 0 0 70 0, 0.0 4,-1.9 0, 0.0 5,-0.2 -0.585 14.5-140.3 -72.1 126.9 7.1 13.4 -15.6 85 90 A V H > S+ 0 0 18 -2,-0.4 4,-2.5 1,-0.2 3,-0.2 0.934 98.8 42.9 -56.0 -53.4 3.4 14.0 -16.4 86 91 A E H > S+ 0 0 95 1,-0.2 4,-3.3 2,-0.2 5,-0.3 0.908 109.6 57.2 -60.9 -44.0 3.5 12.9 -20.0 87 92 A D H > S+ 0 0 102 1,-0.2 4,-1.7 2,-0.2 5,-0.3 0.899 111.9 42.7 -53.0 -43.2 5.7 9.9 -19.4 88 93 A S H X S+ 0 0 20 -4,-1.9 4,-2.7 -3,-0.2 5,-0.4 0.943 115.6 48.4 -70.3 -47.1 3.2 8.5 -17.0 89 94 A A H X S+ 0 0 0 -4,-2.5 4,-1.9 -5,-0.2 28,-0.5 0.917 113.2 46.8 -58.5 -48.2 0.2 9.4 -19.2 90 95 A Q H < S+ 0 0 53 -4,-3.3 4,-0.3 -5,-0.2 -1,-0.2 0.898 119.6 38.6 -62.1 -43.9 1.7 7.9 -22.4 91 96 A V H >X S+ 0 0 76 -4,-1.7 3,-1.1 -5,-0.3 4,-0.7 0.955 117.1 46.7 -75.5 -51.4 2.8 4.6 -20.7 92 97 A I H >X S+ 0 0 22 -4,-2.7 4,-2.0 -5,-0.3 3,-1.5 0.920 110.9 52.1 -60.0 -44.2 -0.1 4.0 -18.4 93 98 A S H 3< S+ 0 0 5 -4,-1.9 -1,-0.3 -5,-0.4 -2,-0.2 0.607 103.6 60.2 -70.8 -10.1 -2.8 4.7 -21.0 94 99 A R H <4 S+ 0 0 136 -3,-1.1 -1,-0.3 -4,-0.3 -2,-0.2 0.668 113.3 36.9 -83.2 -19.6 -1.0 2.2 -23.3 95 100 A M H << S+ 0 0 151 -3,-1.5 -2,-0.2 -4,-0.7 2,-0.2 0.766 116.2 43.8-103.1 -31.1 -1.6 -0.5 -20.7 96 101 A V < - 0 0 18 -4,-2.0 -53,-0.2 -55,-0.1 3,-0.1 -0.555 65.5-133.2-116.1 177.1 -5.0 0.2 -19.3 97 102 A D S S+ 0 0 47 -55,-2.3 2,-0.3 1,-0.3 -54,-0.2 0.616 86.2 11.4-105.8 -18.9 -8.5 1.1 -20.5 98 103 A I E -c 43 0A 0 -56,-1.4 -54,-2.2 20,-0.2 2,-0.4 -0.980 64.8-149.1-161.2 151.7 -9.4 3.9 -18.1 99 104 A I E -cd 44 120A 0 20,-2.5 22,-2.9 -2,-0.3 2,-0.4 -0.978 4.6-166.0-133.5 138.1 -7.6 6.0 -15.5 100 105 A M E -cd 45 121A 0 -56,-3.0 -54,-3.3 -2,-0.4 2,-0.4 -0.990 10.2-169.0-121.2 133.6 -8.7 7.7 -12.3 101 106 A I E -cd 46 122A 0 20,-2.5 22,-2.6 -2,-0.4 23,-0.6 -0.990 11.0-172.5-124.3 128.9 -6.5 10.3 -10.6 102 107 A R E +cd 47 124A 20 -56,-2.6 -54,-3.0 -2,-0.4 -53,-1.1 -0.975 37.8 130.5-113.8 114.1 -6.9 11.7 -7.1 103 108 A T - 0 0 1 21,-2.2 3,-0.1 -2,-0.5 23,-0.0 -0.763 62.8 -94.7-150.1-171.1 -4.4 14.6 -6.6 104 109 A F S S+ 0 0 71 -2,-0.2 22,-2.9 21,-0.2 2,-0.4 0.927 93.5 46.1 -84.0 -50.0 -3.8 18.2 -5.6 105 110 A E >> - 0 0 78 20,-0.2 4,-1.4 21,-0.1 3,-0.7 -0.852 55.9-151.3-115.4 133.1 -4.0 20.3 -8.7 106 111 A Q H 3> S+ 0 0 11 -2,-0.4 4,-2.4 1,-0.2 5,-0.2 0.843 99.9 63.2 -58.6 -38.1 -6.5 20.4 -11.6 107 112 A D H 3> S+ 0 0 114 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.841 102.9 50.6 -56.7 -34.3 -3.8 21.6 -13.9 108 113 A I H <> S+ 0 0 37 -3,-0.7 4,-2.5 2,-0.2 -1,-0.2 0.915 111.4 43.8 -74.3 -44.7 -1.9 18.3 -13.3 109 114 A I H X S+ 0 0 1 -4,-1.4 4,-2.6 2,-0.2 -2,-0.2 0.854 114.8 52.3 -70.0 -31.0 -4.8 16.0 -14.1 110 115 A Q H X S+ 0 0 65 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.931 110.2 46.3 -68.0 -47.1 -5.7 18.1 -17.1 111 116 A R H X S+ 0 0 122 -4,-2.2 4,-0.8 -5,-0.2 -2,-0.2 0.923 113.5 50.6 -60.9 -44.5 -2.1 18.0 -18.5 112 117 A F H >< S+ 0 0 0 -4,-2.5 3,-1.6 1,-0.2 -2,-0.2 0.959 109.3 50.7 -54.8 -53.5 -2.1 14.2 -17.8 113 118 A A H >< S+ 0 0 2 -4,-2.6 3,-2.0 1,-0.3 -1,-0.2 0.868 101.1 62.9 -53.3 -40.7 -5.5 13.8 -19.6 114 119 A E H 3< S+ 0 0 110 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.769 111.3 38.2 -60.4 -24.1 -4.1 15.8 -22.6 115 120 A N T << S+ 0 0 42 -3,-1.6 2,-0.4 -4,-0.8 -1,-0.3 0.112 94.8 108.6-113.3 20.3 -1.5 13.0 -23.2 116 121 A S < - 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