==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 09-DEC-09 3L00 . COMPND 2 MOLECULE: SNAP-TAG; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR S.SCHMITT,F.POJER,M.SCHILTZ,K.JOHNSSON . 157 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7677.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 101 64.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 7 4.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 16 10.2 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 . 1 0.6 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-3), SAME NUMBER PER 100 RESIDUES . 1 0.6 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 . 8 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 20 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 45 28.7 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 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 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 PARALLEL BRIDGES PER LADDER . 1 0 0 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 5 A C 0 0 97 0, 0.0 2,-1.0 0, 0.0 18,-0.0 0.000 360.0 360.0 360.0 147.6 -30.0 -7.8 -8.2 2 6 A E - 0 0 170 2,-0.0 19,-0.4 1,-0.0 2,-0.2 -0.758 360.0-151.6 -82.0 103.0 -32.3 -8.9 -11.1 3 7 A M - 0 0 63 -2,-1.0 2,-0.3 17,-0.1 17,-0.2 -0.452 20.4-172.4 -88.1 146.5 -31.8 -12.7 -10.7 4 8 A K E -A 19 0A 109 15,-2.7 15,-1.8 -2,-0.2 2,-0.3 -0.983 11.3-155.6-131.5 143.3 -32.0 -15.6 -13.3 5 9 A R E +A 18 0A 136 -2,-0.3 2,-0.3 13,-0.2 13,-0.2 -0.919 14.8 170.7-124.5 148.9 -31.9 -19.3 -12.5 6 10 A T E -A 17 0A 37 11,-2.0 11,-3.1 -2,-0.3 2,-0.3 -0.973 20.0-138.6-146.2 156.7 -31.0 -22.5 -14.4 7 11 A T E -A 16 0A 69 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.899 10.8-163.9-119.9 152.5 -30.5 -26.1 -13.4 8 12 A L E -A 15 0A 24 7,-2.3 7,-2.5 -2,-0.3 2,-0.2 -0.997 18.0-131.9-136.4 128.9 -27.9 -28.6 -14.5 9 13 A D + 0 0 112 -2,-0.4 5,-0.2 5,-0.2 -2,-0.0 -0.547 37.6 167.5 -71.3 143.8 -27.9 -32.4 -14.1 10 14 A S > - 0 0 20 -2,-0.2 3,-2.1 3,-0.2 36,-0.1 -0.968 53.9 -99.9-152.3 162.7 -24.7 -33.7 -12.7 11 15 A P T 3 S+ 0 0 75 0, 0.0 3,-0.1 0, 0.0 -2,-0.0 0.706 125.0 54.8 -58.3 -17.2 -23.3 -36.9 -11.2 12 16 A L T 3 S- 0 0 37 1,-0.4 19,-0.2 19,-0.0 2,-0.2 0.200 122.7 -99.0-100.4 15.2 -23.9 -35.3 -7.8 13 17 A G S < S- 0 0 24 -3,-2.1 -1,-0.4 17,-0.1 2,-0.2 -0.469 70.2 -17.5 95.3-172.9 -27.6 -34.6 -8.5 14 18 A K - 0 0 93 17,-1.6 16,-2.3 -5,-0.2 17,-0.7 -0.483 57.3-157.0 -73.4 134.2 -29.3 -31.5 -9.7 15 19 A L E -AB 8 29A 0 -7,-2.5 -7,-2.3 -2,-0.2 2,-0.6 -0.951 2.8-152.9-112.4 126.7 -27.5 -28.2 -9.3 16 20 A E E -AB 7 28A 57 12,-2.6 12,-2.9 -2,-0.5 2,-0.4 -0.904 12.8-164.7-100.6 122.1 -29.4 -24.9 -9.2 17 21 A L E -AB 6 27A 1 -11,-3.1 -11,-2.0 -2,-0.6 2,-0.4 -0.891 5.6-173.5-108.7 135.0 -27.4 -21.9 -10.4 18 22 A S E +AB 5 26A 3 8,-2.4 7,-3.1 -2,-0.4 8,-1.6 -0.967 15.7 140.7-129.3 146.7 -28.4 -18.3 -9.7 19 23 A G E -AB 4 24A 0 -15,-1.8 -15,-2.7 -2,-0.4 5,-0.2 -0.989 33.3-134.3-169.3 165.8 -27.0 -15.1 -11.0 20 24 A C E > - B 0 23A 6 3,-2.4 3,-1.1 -2,-0.3 18,-0.2 -0.611 49.9 -84.5-117.9-174.4 -27.6 -11.6 -12.3 21 25 A E T 3 S+ 0 0 159 -19,-0.4 3,-0.1 1,-0.2 -18,-0.1 0.716 127.9 54.4 -67.6 -17.8 -26.1 -9.7 -15.2 22 26 A Q T 3 S- 0 0 126 1,-0.3 -1,-0.2 14,-0.1 2,-0.2 0.560 122.7 -51.3 -91.7 -10.6 -23.1 -8.7 -13.1 23 27 A G E < -B 20 0A 0 -3,-1.1 -3,-2.4 41,-0.1 40,-0.3 -0.797 63.5 -58.0 158.9 162.9 -22.2 -12.3 -12.1 24 28 A L E -Bc 19 63A 0 38,-3.2 40,-3.0 -5,-0.2 41,-0.9 -0.437 39.1-177.1 -61.0 136.0 -23.0 -15.7 -10.8 25 29 A H E + 0 0 18 -7,-3.1 2,-0.3 1,-0.3 -6,-0.2 0.848 56.2 3.5-100.1 -53.6 -24.4 -15.6 -7.2 26 30 A E E -B 18 0A 74 -8,-1.6 -8,-2.4 92,-0.1 2,-0.5 -0.983 39.3-158.8-142.4 148.1 -24.9 -19.2 -6.0 27 31 A I E -B 17 0A 3 90,-2.5 2,-0.4 -2,-0.3 -10,-0.2 -0.992 29.1-170.1-121.2 116.6 -24.4 -22.9 -7.0 28 32 A I E -B 16 0A 61 -12,-2.9 -12,-2.6 -2,-0.5 2,-0.8 -0.922 21.2-138.2-115.6 134.0 -26.9 -24.9 -4.8 29 33 A F E -B 15 0A 63 -2,-0.4 -14,-0.2 -14,-0.2 -15,-0.1 -0.816 20.0-179.4 -91.8 107.0 -26.9 -28.7 -4.5 30 34 A L 0 0 90 -16,-2.3 -1,-0.2 -2,-0.8 -15,-0.1 0.698 360.0 360.0 -77.4 -21.4 -30.6 -29.7 -4.6 31 35 A G 0 0 84 -17,-0.7 -17,-1.6 -19,-0.2 -1,-0.3 -0.657 360.0 360.0 81.1 360.0 -29.9 -33.4 -4.2 32 ! 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 33 54 A G 0 0 98 0, 0.0 7,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 76.0 -24.5 -21.1 -23.6 34 55 A G - 0 0 40 2,-0.0 9,-0.1 0, 0.0 0, 0.0 0.255 360.0 -36.3-114.2-124.4 -23.0 -17.6 -24.4 35 56 A P S S+ 0 0 119 0, 0.0 5,-0.0 0, 0.0 0, 0.0 0.637 90.0 101.0 -90.3 -19.3 -21.6 -14.5 -22.7 36 57 A E S > S- 0 0 72 1,-0.1 4,-2.2 25,-0.1 3,-0.5 -0.357 80.0-116.6 -70.9 150.8 -23.8 -14.0 -19.6 37 58 A P H > S+ 0 0 13 0, 0.0 4,-2.5 0, 0.0 5,-0.1 0.855 113.4 55.0 -55.8 -38.3 -22.3 -15.1 -16.3 38 59 A L H > S+ 0 0 0 -18,-0.2 4,-1.9 2,-0.2 5,-0.1 0.876 109.5 45.8 -64.3 -39.5 -25.0 -17.7 -15.7 39 60 A M H > S+ 0 0 50 -3,-0.5 4,-2.3 2,-0.2 -1,-0.2 0.871 112.2 51.3 -71.9 -36.9 -24.4 -19.4 -19.1 40 61 A Q H X S+ 0 0 51 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.900 109.9 50.9 -64.0 -40.5 -20.6 -19.3 -18.5 41 62 A A H X S+ 0 0 2 -4,-2.5 4,-2.7 -5,-0.2 5,-0.2 0.912 110.5 48.3 -61.8 -43.7 -21.1 -21.0 -15.1 42 63 A T H X S+ 0 0 18 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.922 113.6 46.7 -64.5 -43.4 -23.3 -23.7 -16.6 43 64 A A H X S+ 0 0 34 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.890 112.5 51.1 -64.8 -41.3 -20.8 -24.4 -19.3 44 65 A W H X S+ 0 0 19 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.937 112.9 44.0 -61.7 -50.4 -17.9 -24.4 -16.8 45 66 A L H X S+ 0 0 1 -4,-2.7 4,-1.9 2,-0.2 5,-0.2 0.881 112.0 53.0 -66.2 -37.8 -19.7 -26.9 -14.5 46 67 A N H X S+ 0 0 69 -4,-2.5 4,-2.9 -5,-0.2 5,-0.3 0.934 111.6 46.1 -60.8 -44.1 -20.7 -29.1 -17.4 47 68 A A H X S+ 0 0 0 -4,-2.3 4,-2.3 3,-0.2 7,-0.2 0.886 106.5 60.2 -63.0 -39.5 -17.1 -29.2 -18.5 48 69 A Y H < S+ 0 0 0 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.933 118.5 28.6 -54.7 -46.4 -15.9 -29.9 -14.9 49 70 A F H < S+ 0 0 12 -4,-1.9 -2,-0.2 2,-0.1 -1,-0.2 0.875 135.3 25.8 -81.1 -39.3 -18.0 -33.1 -14.9 50 71 A H H < S+ 0 0 108 -4,-2.9 -3,-0.2 -5,-0.2 -2,-0.2 0.555 133.1 23.8-112.0 -14.2 -18.1 -34.2 -18.5 51 72 A Q >< + 0 0 87 -4,-2.3 3,-2.5 -5,-0.3 4,-0.3 -0.298 67.5 157.4-143.2 51.2 -14.9 -32.7 -20.2 52 73 A P G > + 0 0 34 0, 0.0 3,-1.5 0, 0.0 4,-0.2 0.771 67.6 66.8 -59.7 -25.6 -12.6 -32.3 -17.3 53 74 A E G 3 S+ 0 0 152 1,-0.3 3,-0.2 2,-0.1 -5,-0.1 0.741 105.5 44.1 -62.5 -24.0 -9.5 -32.3 -19.5 54 75 A A G X> S+ 0 0 16 -3,-2.5 3,-2.3 -7,-0.2 4,-0.6 0.305 78.3 113.7 -99.8 5.7 -10.6 -29.0 -21.1 55 76 A I G X4 S+ 0 0 10 -3,-1.5 3,-1.0 1,-0.3 -1,-0.1 0.800 71.8 56.4 -56.4 -34.2 -11.6 -27.3 -17.8 56 77 A E G 34 S+ 0 0 113 -4,-0.2 -1,-0.3 1,-0.2 4,-0.1 0.687 100.3 61.7 -69.8 -16.0 -8.8 -24.6 -18.0 57 78 A E G <4 S+ 0 0 150 -3,-2.3 -1,-0.2 2,-0.1 -2,-0.2 0.707 85.8 89.9 -81.7 -20.4 -10.2 -23.6 -21.4 58 79 A F S << S- 0 0 59 -3,-1.0 2,-0.0 -4,-0.6 -18,-0.0 -0.641 84.8-114.4 -84.6 129.0 -13.6 -22.6 -20.1 59 80 A P - 0 0 77 0, 0.0 -15,-0.2 0, 0.0 -1,-0.1 -0.344 24.9-126.1 -59.4 136.1 -14.0 -19.0 -18.9 60 81 A V - 0 0 69 -4,-0.1 -19,-0.1 1,-0.1 3,-0.1 -0.739 33.2-117.3 -80.8 129.9 -14.7 -18.6 -15.2 61 82 A P - 0 0 4 0, 0.0 -1,-0.1 0, 0.0 -25,-0.1 -0.327 26.8 -99.8 -67.6 150.8 -17.9 -16.5 -14.7 62 83 A A - 0 0 54 1,-0.0 -38,-3.2 2,-0.0 2,-0.4 -0.397 40.8-135.8 -60.2 146.1 -17.9 -13.2 -13.0 63 84 A L B +c 24 0A 30 -40,-0.3 -38,-0.2 1,-0.1 -44,-0.1 -0.938 31.2 167.5-114.7 134.6 -19.1 -13.6 -9.4 64 85 A H + 0 0 28 -40,-3.0 -39,-0.2 -2,-0.4 -41,-0.1 0.270 26.1 131.6-134.9 12.5 -21.6 -11.2 -7.7 65 86 A H S > S- 0 0 47 -41,-0.9 3,-2.4 -40,-0.2 4,-0.5 -0.369 74.3-106.8 -53.8 145.9 -22.7 -12.8 -4.4 66 87 A P G >> S+ 0 0 76 0, 0.0 3,-1.2 0, 0.0 4,-0.6 0.779 118.3 68.7 -50.6 -28.5 -22.5 -10.0 -1.8 67 88 A V G 34 S+ 0 0 33 1,-0.3 3,-0.2 2,-0.2 8,-0.1 0.770 102.6 46.3 -63.9 -22.1 -19.4 -11.8 -0.3 68 89 A F G <4 S+ 0 0 10 -3,-2.4 -1,-0.3 1,-0.2 -5,-0.1 0.540 97.6 73.6 -94.0 -4.9 -17.5 -10.8 -3.4 69 90 A Q T <4 S+ 0 0 77 -3,-1.2 2,-0.3 -4,-0.5 -2,-0.2 0.639 99.1 38.7 -86.8 -15.5 -18.8 -7.2 -3.5 70 91 A Q S < S- 0 0 139 -4,-0.6 5,-0.2 -3,-0.2 2,-0.1 -0.973 89.8 -98.7-137.3 149.2 -16.6 -5.9 -0.6 71 92 A E + 0 0 112 -2,-0.3 2,-0.3 4,-0.1 3,-0.1 -0.448 57.6 137.9 -70.3 135.8 -13.1 -6.4 0.6 72 93 A S > - 0 0 43 -2,-0.1 4,-2.2 1,-0.1 5,-0.1 -0.954 66.1-105.8-163.3 163.0 -12.7 -8.9 3.5 73 94 A F H > S+ 0 0 55 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.895 122.1 57.0 -61.4 -37.2 -10.5 -11.8 4.6 74 95 A T H > S+ 0 0 46 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.926 105.9 48.2 -57.9 -46.6 -13.4 -14.1 3.5 75 96 A R H > S+ 0 0 35 1,-0.2 4,-3.1 2,-0.2 5,-0.3 0.921 111.1 51.8 -61.4 -40.1 -13.3 -12.7 0.0 76 97 A Q H X S+ 0 0 39 -4,-2.2 4,-2.8 1,-0.2 5,-0.3 0.901 108.3 51.2 -62.4 -40.8 -9.5 -13.1 -0.0 77 98 A V H X S+ 0 0 0 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.939 115.2 41.8 -59.1 -48.1 -9.9 -16.8 1.0 78 99 A L H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.925 117.4 45.8 -70.4 -44.5 -12.4 -17.5 -1.7 79 100 A W H X S+ 0 0 97 -4,-3.1 4,-2.6 2,-0.2 5,-0.2 0.910 114.5 47.4 -64.6 -44.1 -10.6 -15.5 -4.4 80 101 A K H X S+ 0 0 39 -4,-2.8 4,-2.6 -5,-0.3 5,-0.4 0.914 111.6 51.3 -66.4 -39.5 -7.1 -17.0 -3.6 81 102 A L H X S+ 0 0 0 -4,-2.2 4,-1.8 -5,-0.3 -2,-0.2 0.941 112.7 46.1 -58.9 -48.8 -8.6 -20.5 -3.5 82 103 A L H < S+ 0 0 42 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.911 117.4 43.7 -57.8 -46.9 -10.2 -19.9 -6.9 83 104 A K H < S+ 0 0 123 -4,-2.6 -2,-0.2 -5,-0.1 -1,-0.2 0.855 125.8 25.8 -65.8 -41.1 -7.0 -18.4 -8.4 84 105 A V H < S+ 0 0 57 -4,-2.6 2,-0.9 -5,-0.2 -3,-0.2 0.846 97.5 75.2-103.6 -38.9 -4.4 -20.8 -7.0 85 106 A V < - 0 0 4 -4,-1.8 -1,-0.1 -5,-0.4 3,-0.1 -0.715 67.2-164.4 -96.7 105.9 -5.7 -24.3 -6.2 86 107 A K > - 0 0 87 -2,-0.9 3,-2.3 1,-0.2 -2,-0.1 -0.276 32.6 -67.1 -90.1 167.4 -6.1 -26.2 -9.5 87 108 A F T 3 S+ 0 0 57 1,-0.3 -1,-0.2 -35,-0.1 3,-0.1 -0.254 123.4 19.4 -48.6 127.0 -7.9 -29.4 -10.6 88 109 A G T 3 S+ 0 0 27 1,-0.3 2,-0.3 -3,-0.1 -1,-0.3 0.436 107.2 100.5 85.7 4.5 -6.1 -32.3 -9.0 89 110 A E < - 0 0 90 -3,-2.3 -1,-0.3 64,-0.1 2,-0.3 -0.764 50.2-161.9-112.0 159.0 -4.4 -30.3 -6.2 90 111 A V - 0 0 40 -2,-0.3 2,-0.3 -3,-0.1 37,-0.2 -0.903 0.6-164.3-128.3 167.3 -5.2 -29.8 -2.6 91 112 A I E -d 127 0B 31 35,-2.2 37,-2.5 -2,-0.3 2,-0.1 -0.976 25.9-111.9-142.9 148.3 -4.0 -27.1 -0.0 92 113 A S E > -d 128 0B 19 -2,-0.3 4,-2.5 35,-0.2 37,-0.2 -0.454 24.3-118.1 -78.1 156.5 -4.3 -27.2 3.8 93 114 A Y H > S+ 0 0 17 35,-1.9 4,-2.4 1,-0.2 -1,-0.1 0.915 116.9 52.7 -52.8 -42.8 -6.5 -24.8 5.7 94 115 A S H > S+ 0 0 53 35,-0.3 4,-1.8 34,-0.2 -1,-0.2 0.905 109.4 45.0 -64.6 -44.9 -3.4 -23.5 7.3 95 116 A H H > S+ 0 0 127 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.881 111.8 53.3 -70.0 -31.5 -1.6 -22.7 4.1 96 117 A L H X S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.903 104.8 56.2 -66.1 -39.0 -4.7 -21.2 2.6 97 118 A A H <>S+ 0 0 0 -4,-2.4 5,-2.7 -5,-0.2 -1,-0.2 0.923 109.9 45.5 -53.7 -48.0 -4.9 -18.9 5.6 98 119 A A H ><5S+ 0 0 47 -4,-1.8 3,-1.6 5,-0.3 -2,-0.2 0.912 109.7 53.7 -62.3 -45.7 -1.4 -17.8 4.8 99 120 A L H 3<5S+ 0 0 57 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.849 107.6 52.2 -55.2 -37.4 -2.2 -17.3 1.1 100 121 A A T 3<5S- 0 0 8 -4,-2.2 -1,-0.3 -5,-0.1 -2,-0.2 0.414 128.2 -96.9 -85.2 -0.3 -5.2 -15.1 2.1 101 122 A G T < 5S+ 0 0 64 -3,-1.6 -3,-0.2 -4,-0.2 -2,-0.1 0.548 101.8 85.5 102.2 10.9 -2.9 -12.9 4.3 102 123 A N > < - 0 0 74 -5,-2.7 3,-2.0 -6,-0.2 -3,-0.1 -0.620 48.9-175.7-143.0 80.6 -3.4 -14.3 7.8 103 124 A P T 3 S+ 0 0 86 0, 0.0 -5,-0.3 0, 0.0 3,-0.2 0.767 82.5 50.9 -50.7 -32.0 -1.0 -17.3 8.5 104 125 A A T 3 S+ 0 0 93 1,-0.2 2,-1.6 -7,-0.2 3,-0.3 0.733 85.8 95.0 -77.8 -11.0 -2.4 -18.0 12.0 105 126 A A <> + 0 0 15 -3,-2.0 4,-2.1 1,-0.2 -1,-0.2 -0.252 29.8 135.5 -96.3 53.2 -6.1 -18.2 11.0 106 127 A T H > S+ 0 0 34 -2,-1.6 4,-2.3 2,-0.2 -1,-0.2 0.905 78.9 49.0 -60.4 -46.5 -7.1 -21.8 10.3 107 128 A A H > S+ 0 0 74 -3,-0.3 4,-2.2 1,-0.2 -1,-0.2 0.926 111.1 50.8 -61.9 -43.2 -10.4 -21.6 12.2 108 129 A A H > S+ 0 0 45 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.870 108.6 52.6 -62.0 -36.0 -11.3 -18.4 10.4 109 130 A V H X S+ 0 0 0 -4,-2.1 4,-2.9 2,-0.2 5,-0.2 0.932 107.1 52.1 -64.8 -42.2 -10.5 -20.0 7.0 110 131 A K H X S+ 0 0 83 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.930 111.5 46.6 -60.1 -43.6 -12.8 -22.9 7.9 111 132 A T H X S+ 0 0 99 -4,-2.2 4,-0.9 2,-0.2 -1,-0.2 0.917 111.6 51.5 -64.0 -43.1 -15.6 -20.5 8.7 112 133 A A H >< S+ 0 0 4 -4,-2.6 3,-0.9 1,-0.2 -2,-0.2 0.923 109.6 49.8 -57.5 -46.4 -15.0 -18.5 5.4 113 134 A L H >< S+ 0 0 8 -4,-2.9 3,-2.0 1,-0.3 -1,-0.2 0.867 102.3 60.8 -62.1 -35.6 -15.1 -21.7 3.4 114 135 A S H 3< S+ 0 0 51 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.779 104.0 52.7 -63.0 -24.5 -18.4 -22.6 5.0 115 136 A G T << S+ 0 0 42 -3,-0.9 -1,-0.3 -4,-0.9 -2,-0.2 0.292 75.8 131.2 -90.3 5.5 -19.8 -19.4 3.5 116 137 A N < - 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