==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 27-MAY-04 1TFU . COMPND 2 MOLECULE: PHOSPHOPANTETHEINE ADENYLYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR V.K.MORRIS,T.IZARD,TB STRUCTURAL GENOMICS CONSORTIUM (TBSGC) . 157 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8688.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 104 66.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 23 14.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 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 . 1 0.6 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 . 5 3.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 53 33.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.3 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 1 0 1 1 1 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 0 0 0 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 PARALLEL BRIDGES PER LADDER . 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 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 0 212 0, 0.0 2,-0.3 0, 0.0 27,-0.0 0.000 360.0 360.0 360.0 24.6 36.3 -4.0 -3.6 2 2 A T + 0 0 56 80,-0.1 28,-1.0 81,-0.0 2,-0.3 -0.719 360.0 150.2-102.5 145.3 32.9 -2.2 -3.6 3 3 A G E -a 30 0A 11 -2,-0.3 80,-0.5 26,-0.2 2,-0.3 -0.979 19.4-160.5-164.0 152.3 30.7 -1.0 -6.4 4 4 A A E -a 31 0A 0 26,-2.3 28,-2.1 -2,-0.3 2,-0.4 -0.981 11.7-140.1-139.4 152.2 27.1 -0.4 -7.4 5 5 A V E -ab 32 85A 0 79,-2.0 81,-2.6 -2,-0.3 28,-0.2 -0.919 4.0-160.0-113.5 136.9 25.1 -0.0 -10.6 6 6 A C E -a 33 0A 4 26,-2.4 28,-1.6 -2,-0.4 2,-0.2 -0.893 21.4-167.7-115.6 96.6 22.2 2.5 -11.0 7 7 A P E +a 34 0A 15 0, 0.0 2,-0.3 0, 0.0 28,-0.2 -0.537 23.7 118.8 -86.7 151.5 20.1 1.2 -14.0 8 8 A G E -a 35 0A 19 26,-1.8 28,-3.0 -2,-0.2 61,-0.2 -0.942 66.1-105.0 170.6 171.7 17.5 3.2 -15.8 9 9 A S - 0 0 65 -2,-0.3 4,-0.1 26,-0.2 -1,-0.1 0.711 40.5-162.8 -89.7 -22.7 16.3 4.7 -19.1 10 10 A F > + 0 0 9 2,-0.2 3,-0.7 1,-0.2 44,-0.1 0.882 13.0 179.4 37.8 59.8 17.1 8.2 -17.9 11 11 A D T 3 S- 0 0 5 1,-0.7 33,-0.2 33,-0.0 -1,-0.2 -0.649 87.9 -7.5-121.5 73.2 15.0 9.8 -20.6 12 12 A P T 3 S- 0 0 1 0, 0.0 -1,-0.7 0, 0.0 -2,-0.2 0.634 92.9-125.1-100.3 173.1 15.9 12.4 -19.3 13 13 A V < - 0 0 1 -3,-0.7 2,-0.2 37,-0.2 113,-0.1 -0.422 32.1-156.2 -66.7 144.0 17.8 12.1 -16.1 14 14 A T > - 0 0 2 130,-0.1 4,-1.9 -2,-0.1 130,-0.2 -0.630 32.0-102.1-115.5 177.3 16.1 14.2 -13.3 15 15 A L H > S+ 0 0 34 128,-2.5 4,-1.9 1,-0.2 129,-0.1 0.707 122.0 62.4 -73.5 -17.0 17.5 15.7 -10.1 16 16 A G H > S+ 0 0 4 127,-0.4 4,-1.6 2,-0.2 -1,-0.2 0.911 105.2 45.9 -70.5 -40.6 15.9 12.8 -8.3 17 17 A H H > S+ 0 0 53 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.917 110.8 52.5 -65.3 -45.3 18.2 10.5 -10.2 18 18 A V H X S+ 0 0 9 -4,-1.9 4,-2.7 1,-0.2 -1,-0.2 0.892 105.7 54.7 -59.3 -40.8 21.2 12.7 -9.5 19 19 A D H X S+ 0 0 19 -4,-1.9 4,-2.1 1,-0.2 -1,-0.2 0.914 110.2 46.9 -58.7 -43.1 20.4 12.7 -5.8 20 20 A I H X S+ 0 0 9 -4,-1.6 4,-2.5 2,-0.2 5,-0.2 0.911 110.5 52.3 -65.4 -41.6 20.5 8.9 -5.9 21 21 A F H X S+ 0 0 2 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.915 109.7 49.8 -59.2 -44.9 23.8 8.9 -7.9 22 22 A E H X S+ 0 0 77 -4,-2.7 4,-1.3 1,-0.2 -1,-0.2 0.910 112.2 46.5 -61.7 -44.0 25.3 11.2 -5.3 23 23 A R H X S+ 0 0 89 -4,-2.1 4,-0.8 2,-0.2 -1,-0.2 0.876 113.4 47.7 -70.0 -36.4 24.3 9.0 -2.4 24 24 A A H >X S+ 0 0 4 -4,-2.5 4,-1.8 1,-0.2 3,-0.9 0.923 110.5 54.1 -67.8 -41.4 25.4 5.8 -4.1 25 25 A A H 3< S+ 0 0 11 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.778 105.6 53.2 -62.3 -29.1 28.7 7.5 -4.9 26 26 A A H 3< S+ 0 0 73 -4,-1.3 -1,-0.3 1,-0.2 -2,-0.2 0.709 116.7 37.6 -79.6 -20.3 29.2 8.4 -1.2 27 27 A Q H << S+ 0 0 151 -3,-0.9 2,-0.4 -4,-0.8 -2,-0.2 0.586 112.0 54.4-108.4 -13.9 28.8 4.8 -0.1 28 28 A F S < S- 0 0 44 -4,-1.8 -25,-0.1 1,-0.1 3,-0.1 -0.958 72.1-132.0-125.7 145.0 30.5 2.7 -2.8 29 29 A D S S+ 0 0 111 -2,-0.4 2,-0.4 1,-0.2 -26,-0.2 0.893 96.6 21.5 -57.5 -40.9 34.0 2.9 -4.2 30 30 A E E -a 3 0A 76 -28,-1.0 -26,-2.3 -3,-0.1 2,-0.4 -0.993 64.9-170.3-136.9 135.7 32.7 2.8 -7.7 31 31 A V E -ac 4 64A 0 32,-2.4 34,-2.2 -2,-0.4 2,-0.5 -0.973 3.6-166.7-123.5 135.6 29.3 3.7 -9.2 32 32 A V E -ac 5 65A 0 -28,-2.1 -26,-2.4 -2,-0.4 2,-0.7 -0.990 12.5-148.0-123.3 123.4 28.3 2.9 -12.8 33 33 A V E -ac 6 66A 0 32,-3.1 34,-2.7 -2,-0.5 2,-0.7 -0.832 16.0-155.8 -90.6 118.7 25.1 4.5 -14.3 34 34 A A E -ac 7 67A 2 -28,-1.6 -26,-1.8 -2,-0.7 2,-0.7 -0.863 1.5-157.6-101.8 110.2 23.7 2.0 -16.7 35 35 A I E -ac 8 68A 0 32,-2.4 34,-2.3 -2,-0.7 -26,-0.2 -0.768 16.5-139.2 -88.3 113.4 21.5 3.6 -19.4 36 36 A L E - c 0 69A 42 -28,-3.0 34,-0.1 -2,-0.7 2,-0.1 -0.483 16.9-121.5 -75.7 142.8 19.2 1.1 -20.8 37 37 A V - 0 0 66 32,-0.8 -1,-0.1 -2,-0.2 9,-0.0 -0.342 14.0-127.0 -80.5 161.3 18.5 1.0 -24.6 38 38 A N - 0 0 64 2,-0.1 9,-0.1 1,-0.1 5,-0.1 -0.952 12.6-136.7-115.9 117.1 15.2 1.4 -26.3 39 39 A P S S- 0 0 133 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.631 83.8 -28.6 -40.0 -27.9 14.2 -1.3 -28.9 40 40 A A S S- 0 0 90 1,-0.4 -2,-0.1 -3,-0.0 2,-0.1 0.037 101.7 -48.4-153.4 -91.3 12.9 1.3 -31.4 41 41 A K S S+ 0 0 134 1,-0.1 -1,-0.4 5,-0.0 3,-0.1 0.026 75.2 109.8-129.6-123.2 11.5 4.7 -30.6 42 42 A T + 0 0 134 1,-0.1 2,-0.3 -2,-0.1 -1,-0.1 0.374 68.2 104.4 56.7 -6.9 8.8 5.9 -28.1 43 43 A G - 0 0 11 1,-0.1 -1,-0.1 -5,-0.1 3,-0.1 -0.700 69.3-139.1 -99.3 157.2 11.6 7.5 -26.1 44 44 A M S S+ 0 0 25 -2,-0.3 2,-0.3 -33,-0.2 -1,-0.1 0.940 82.7 35.4 -81.7 -50.6 12.2 11.3 -26.1 45 45 A F S S- 0 0 2 1,-0.0 -1,-0.1 2,-0.0 2,-0.0 -0.814 82.8-120.3-106.5 146.7 16.0 11.5 -26.3 46 46 A D > - 0 0 85 -2,-0.3 4,-2.5 1,-0.1 3,-0.3 -0.308 36.2 -96.9 -77.6 167.7 18.4 9.2 -28.1 47 47 A L H > S+ 0 0 49 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.890 122.7 52.4 -51.0 -49.3 21.1 7.2 -26.4 48 48 A D H > S+ 0 0 128 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.898 111.3 47.7 -56.8 -42.5 23.9 9.7 -27.1 49 49 A E H > S+ 0 0 53 -3,-0.3 4,-3.0 2,-0.2 5,-0.2 0.945 111.8 49.7 -63.7 -48.5 21.8 12.6 -25.7 50 50 A R H X S+ 0 0 13 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.892 111.8 48.7 -57.0 -43.8 20.9 10.6 -22.6 51 51 A I H X S+ 0 0 33 -4,-2.7 4,-3.0 -5,-0.2 5,-0.2 0.945 112.5 48.5 -62.2 -48.3 24.6 9.7 -22.0 52 52 A A H X S+ 0 0 27 -4,-2.4 4,-3.2 -5,-0.2 5,-0.3 0.925 110.3 50.5 -58.8 -48.5 25.6 13.3 -22.5 53 53 A M H X S+ 0 0 0 -4,-3.0 4,-1.3 1,-0.2 -1,-0.2 0.894 113.3 46.3 -59.8 -39.6 23.0 14.7 -20.1 54 54 A V H X S+ 0 0 0 -4,-2.1 4,-0.5 -5,-0.2 3,-0.3 0.950 114.5 46.3 -68.9 -47.5 24.0 12.2 -17.4 55 55 A K H >< S+ 0 0 109 -4,-3.0 3,-1.5 1,-0.2 -2,-0.2 0.941 113.0 49.6 -59.0 -47.8 27.7 12.9 -17.9 56 56 A E H 3< S+ 0 0 71 -4,-3.2 3,-0.5 1,-0.3 -1,-0.2 0.789 112.0 50.0 -61.4 -27.2 27.2 16.6 -17.9 57 57 A S H 3< S+ 0 0 12 -4,-1.3 -1,-0.3 -5,-0.3 -2,-0.2 0.443 110.8 48.8 -91.9 -0.8 25.1 16.3 -14.7 58 58 A T X< + 0 0 9 -3,-1.5 3,-2.0 -4,-0.5 6,-0.2 0.097 64.0 119.8-127.4 25.2 27.6 14.2 -12.8 59 59 A T T 3 S+ 0 0 121 -3,-0.5 -1,-0.1 1,-0.3 -2,-0.1 0.725 74.7 61.3 -62.3 -21.0 31.0 16.1 -13.2 60 60 A H T 3 S+ 0 0 95 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.393 89.8 76.2 -86.9 3.1 31.1 16.4 -9.4 61 61 A L X + 0 0 21 -3,-2.0 3,-1.5 1,-0.1 -1,-0.2 -0.779 55.9 176.4-117.9 86.3 31.2 12.7 -8.9 62 62 A P T 3 S+ 0 0 126 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.780 78.2 54.7 -59.1 -33.1 34.7 11.4 -9.8 63 63 A N T 3 S+ 0 0 51 -38,-0.1 -32,-2.4 -35,-0.1 2,-0.4 0.207 94.9 89.8 -89.8 18.6 34.1 7.8 -8.8 64 64 A L E < -c 31 0A 19 -3,-1.5 2,-0.3 -6,-0.2 -32,-0.2 -0.917 51.9-178.1-117.5 141.1 31.0 7.5 -11.1 65 65 A R E -c 32 0A 105 -34,-2.2 -32,-3.1 -2,-0.4 2,-0.4 -0.968 19.5-133.5-136.7 152.7 31.0 6.5 -14.7 66 66 A V E +c 33 0A 16 -2,-0.3 2,-0.3 -34,-0.2 -32,-0.2 -0.898 29.6 164.3-108.7 133.2 28.2 6.2 -17.4 67 67 A Q E -c 34 0A 86 -34,-2.7 -32,-2.4 -2,-0.4 2,-0.5 -0.961 39.0-105.1-143.8 157.4 27.9 3.2 -19.7 68 68 A V E -c 35 0A 23 -2,-0.3 2,-0.3 -34,-0.2 -32,-0.2 -0.744 34.0-139.5 -88.8 127.7 25.2 1.8 -21.9 69 69 A G E -c 36 0A 1 -34,-2.3 -32,-0.8 -2,-0.5 2,-0.4 -0.635 18.4-173.8 -88.7 144.3 23.4 -1.2 -20.6 70 70 A H - 0 0 122 -2,-0.3 6,-0.1 2,-0.2 -34,-0.0 -1.000 50.9 -17.3-136.6 134.9 22.4 -4.2 -22.8 71 71 A G S S+ 0 0 68 -2,-0.4 -34,-0.1 4,-0.1 2,-0.1 -0.307 113.9 7.5 72.6-156.6 20.3 -7.2 -21.8 72 72 A L > - 0 0 92 1,-0.1 4,-1.7 2,-0.0 3,-0.4 -0.339 65.8-133.1 -60.5 137.4 19.6 -8.2 -18.3 73 73 A V H > S+ 0 0 37 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.915 106.9 57.1 -58.7 -43.4 20.7 -5.7 -15.6 74 74 A V H > S+ 0 0 1 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.848 104.1 52.1 -58.6 -33.9 22.2 -8.5 -13.6 75 75 A D H > S+ 0 0 89 -3,-0.4 4,-1.6 2,-0.2 -1,-0.2 0.909 111.7 46.7 -68.2 -39.6 24.4 -9.6 -16.6 76 76 A F H X S+ 0 0 22 -4,-1.7 4,-1.4 2,-0.2 -2,-0.2 0.930 111.8 52.1 -65.1 -45.7 25.6 -6.0 -16.9 77 77 A V H ><>S+ 0 0 0 -4,-3.1 5,-2.3 1,-0.2 3,-0.6 0.940 111.7 44.0 -56.8 -51.1 26.2 -5.8 -13.1 78 78 A R H ><5S+ 0 0 147 -4,-2.6 3,-0.9 1,-0.3 -1,-0.2 0.795 108.7 58.6 -66.9 -26.7 28.3 -9.0 -13.1 79 79 A S H 3<5S+ 0 0 107 -4,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.794 104.0 52.1 -70.7 -26.8 30.2 -7.8 -16.2 80 80 A C T <<5S- 0 0 29 -4,-1.4 -1,-0.3 -3,-0.6 -2,-0.2 0.448 121.4-114.4 -84.5 -1.8 31.1 -4.8 -14.1 81 81 A G T < 5S+ 0 0 67 -3,-0.9 -3,-0.2 1,-0.3 2,-0.2 0.784 78.6 117.1 73.5 26.6 32.4 -7.2 -11.5 82 82 A M < - 0 0 15 -5,-2.3 -1,-0.3 -6,-0.2 -2,-0.1 -0.683 52.2-161.8-119.6 173.6 29.8 -6.0 -9.0 83 83 A T + 0 0 64 -80,-0.5 29,-3.1 -2,-0.2 2,-0.4 0.083 64.1 87.8-141.9 21.5 26.8 -7.6 -7.2 84 84 A A E - d 0 112A 8 -81,-0.3 -79,-2.0 27,-0.2 2,-0.4 -0.983 47.4-169.3-132.4 140.7 24.8 -4.6 -6.1 85 85 A I E -bd 5 113A 2 27,-1.9 29,-3.5 -2,-0.4 2,-0.5 -0.970 10.6-157.6-121.6 135.3 22.1 -2.5 -7.7 86 86 A V E + d 0 114A 9 -81,-2.6 2,-0.4 -2,-0.4 29,-0.2 -0.982 16.4 173.7-119.2 124.9 21.1 0.8 -6.2 87 87 A K E - d 0 115A 42 27,-2.1 29,-1.9 -2,-0.5 2,-0.2 -0.975 25.1-130.0-129.9 142.9 17.6 2.2 -7.0 88 88 A G E - d 0 116A 24 -2,-0.4 2,-0.4 27,-0.2 29,-0.2 -0.613 15.2-146.0 -90.4 152.5 15.8 5.2 -5.6 89 89 A L E + d 0 117A 37 27,-2.5 29,-2.4 -2,-0.2 2,-0.3 -0.975 30.7 153.6-118.4 131.4 12.2 5.0 -4.4 90 90 A R > - 0 0 82 -2,-0.4 3,-2.7 27,-0.2 2,-0.4 -0.896 51.4 -54.3-147.3 177.3 9.8 8.0 -4.8 91 91 A T T 3 S+ 0 0 94 32,-1.6 3,-0.1 1,-0.3 -2,-0.0 -0.400 126.8 22.8 -60.2 113.8 6.2 9.0 -5.2 92 92 A G T 3 S+ 0 0 60 1,-0.4 -1,-0.3 -2,-0.4 2,-0.2 0.228 87.8 140.2 111.7 -11.8 4.8 7.0 -8.1 93 93 A T < - 0 0 31 -3,-2.7 2,-1.9 1,-0.1 -1,-0.4 -0.452 56.0-136.1 -64.8 131.4 7.4 4.3 -7.8 94 94 A D >> + 0 0 99 1,-0.2 4,-1.8 -2,-0.2 3,-1.1 -0.550 36.9 169.9 -86.8 69.4 5.8 0.9 -8.4 95 95 A F H 3> + 0 0 69 -2,-1.9 4,-1.6 1,-0.3 -1,-0.2 0.666 69.4 62.6 -56.8 -21.3 7.8 -0.4 -5.4 96 96 A E H 3> S+ 0 0 138 2,-0.2 4,-1.6 -3,-0.2 -1,-0.3 0.894 107.3 44.0 -71.7 -38.2 5.8 -3.6 -5.4 97 97 A Y H <> S+ 0 0 114 -3,-1.1 4,-2.6 2,-0.2 -2,-0.2 0.877 108.6 56.9 -72.8 -37.0 7.2 -4.3 -8.8 98 98 A E H X S+ 0 0 35 -4,-1.8 4,-2.2 1,-0.2 -1,-0.2 0.875 106.3 51.9 -60.7 -36.2 10.7 -3.2 -7.7 99 99 A L H X S+ 0 0 66 -4,-1.6 4,-2.2 2,-0.2 5,-0.2 0.921 108.0 50.6 -65.7 -43.0 10.5 -5.9 -5.0 100 100 A Q H X S+ 0 0 119 -4,-1.6 4,-2.3 1,-0.2 -2,-0.2 0.954 113.5 44.8 -59.6 -49.7 9.5 -8.5 -7.6 101 101 A M H X S+ 0 0 53 -4,-2.6 4,-2.9 1,-0.2 -1,-0.2 0.858 109.9 55.7 -62.3 -37.8 12.5 -7.6 -9.8 102 102 A A H X S+ 0 0 16 -4,-2.2 4,-1.8 -5,-0.2 -1,-0.2 0.928 112.6 41.3 -61.8 -46.4 14.9 -7.4 -6.9 103 103 A Q H X S+ 0 0 140 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.871 113.9 51.9 -71.8 -34.3 14.1 -11.0 -5.8 104 104 A M H X S+ 0 0 105 -4,-2.3 4,-2.5 -5,-0.2 5,-0.2 0.939 112.1 48.4 -64.1 -44.7 14.0 -12.3 -9.3 105 105 A N H X S+ 0 0 25 -4,-2.9 4,-1.8 2,-0.2 6,-1.2 0.830 111.0 49.0 -64.1 -35.6 17.5 -10.7 -9.8 106 106 A K H X S+ 0 0 104 -4,-1.8 4,-2.3 4,-0.2 -1,-0.2 0.935 112.3 51.1 -68.1 -45.9 18.8 -12.2 -6.6 107 107 A H H < S+ 0 0 154 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.901 117.1 35.6 -57.9 -47.3 17.4 -15.6 -7.7 108 108 A I H < S+ 0 0 82 -4,-2.5 -1,-0.2 -5,-0.1 -2,-0.2 0.768 138.0 10.2 -84.2 -24.7 19.0 -15.7 -11.1 109 109 A A H < S- 0 0 16 -4,-1.8 -3,-0.2 -5,-0.2 -2,-0.2 0.407 90.7-115.0-136.4 3.0 22.3 -14.0 -10.5 110 110 A G < + 0 0 36 -4,-2.3 2,-0.4 -5,-0.3 -4,-0.2 0.662 63.1 153.4 69.2 15.3 22.9 -13.5 -6.8 111 111 A V - 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