==== 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 11-JAN-06 2FNO . COMPND 2 MOLECULE: AGR_PAT_752P; . SOURCE 2 ORGANISM_SCIENTIFIC: AGROBACTERIUM TUMEFACIENS; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 473 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21066.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 328 69.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 1.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 22 4.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 9 1.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 39 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 235 49.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 2.1 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 0 0 4 2 4 2 0 3 0 1 0 0 0 0 2 0 0 2 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 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 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 2 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 -2 A H 0 0 129 0, 0.0 2,-0.3 0, 0.0 33,-0.1 0.000 360.0 360.0 360.0 48.8 -25.6 11.7 0.7 2 -1 A H + 0 0 107 31,-0.3 8,-0.8 5,-0.1 33,-0.5 -0.847 360.0 131.9-142.0 110.0 -23.1 11.7 -2.3 3 0 A H B -A 9 0A 85 -2,-0.3 6,-0.2 6,-0.2 5,-0.1 -0.707 57.2 -75.8-134.5-176.1 -24.0 10.5 -5.7 4 1 A X > - 0 0 65 4,-2.9 3,-2.5 -2,-0.2 -1,-0.1 -0.298 49.0 -97.5 -85.6 170.8 -23.5 11.9 -9.3 5 2 A E T 3 S+ 0 0 211 1,-0.3 -1,-0.1 2,-0.1 0, 0.0 0.642 129.6 49.4 -66.2 -13.8 -25.6 14.7 -10.8 6 3 A D T 3 S- 0 0 121 2,-0.1 -1,-0.3 0, 0.0 -2,-0.0 0.296 124.0-107.4 -98.8 4.9 -27.7 12.0 -12.5 7 4 A G S < S+ 0 0 46 -3,-2.5 -2,-0.1 1,-0.3 3,-0.1 0.329 71.4 141.5 90.2 -6.9 -28.1 10.1 -9.2 8 5 A X - 0 0 84 1,-0.1 -4,-2.9 -5,-0.1 -1,-0.3 -0.325 63.2 -91.6 -63.9 148.3 -25.8 7.2 -9.9 9 6 A N B -A 3 0A 34 -6,-0.2 -6,-0.2 1,-0.1 59,-0.1 -0.336 26.2-135.4 -58.1 136.8 -23.6 6.0 -7.0 10 7 A T S S+ 0 0 3 -8,-0.8 58,-2.8 25,-0.3 59,-0.5 0.901 88.4 50.3 -59.4 -42.0 -20.1 7.7 -6.9 11 8 A F E -bC 36 67B 6 24,-1.1 26,-1.9 56,-0.2 2,-0.4 -0.773 61.7-165.2-107.3 146.6 -18.4 4.3 -6.4 12 9 A D E -bC 37 66B 12 54,-2.4 54,-2.6 -2,-0.3 2,-0.5 -0.989 16.1-166.1-129.6 114.1 -18.7 0.9 -8.2 13 10 A L E - C 0 65B 0 24,-2.7 2,-0.7 -2,-0.4 26,-0.3 -0.925 12.1-163.0-113.2 130.5 -17.3 -2.1 -6.3 14 11 A Y E + C 0 64B 33 50,-3.3 50,-1.7 -2,-0.5 2,-0.3 -0.930 36.8 129.6-107.0 109.3 -16.6 -5.6 -7.7 15 12 A Y - 0 0 7 -2,-0.7 24,-0.4 24,-0.2 -2,-0.1 -0.948 59.3 -91.0-157.1 147.0 -16.2 -8.1 -4.9 16 13 A W - 0 0 66 -2,-0.3 2,-2.3 1,-0.1 4,-0.3 -0.054 44.7-104.2 -51.5 149.0 -17.6 -11.6 -4.2 17 14 A P S S+ 0 0 55 0, 0.0 -1,-0.1 0, 0.0 207,-0.1 -0.361 91.6 95.8 -78.4 58.6 -20.8 -11.8 -2.0 18 15 A V S S- 0 0 19 -2,-2.3 2,-1.9 208,-0.1 4,-0.2 -0.955 85.5-114.5-139.5 149.9 -18.8 -12.9 1.1 19 16 A P S S+ 0 0 3 0, 0.0 207,-0.1 0, 0.0 198,-0.0 -0.340 81.5 106.7 -83.4 59.2 -17.6 -10.7 3.9 20 17 A F S >> S- 0 0 13 -2,-1.9 3,-0.7 -4,-0.3 4,-0.5 0.484 84.5 -16.0-110.3-116.4 -14.0 -11.3 3.1 21 18 A R T >4 S+ 0 0 37 1,-0.3 3,-0.8 2,-0.2 4,-0.5 0.890 135.7 46.9 -69.0 -38.8 -11.3 -9.1 1.5 22 19 A G T 3> S+ 0 0 0 1,-0.2 4,-2.4 -4,-0.2 3,-0.3 0.634 92.9 79.7 -74.8 -13.8 -13.7 -6.6 0.0 23 20 A Q H <> S+ 0 0 6 -3,-0.7 4,-2.2 1,-0.2 -1,-0.2 0.789 88.2 58.2 -59.2 -28.3 -15.6 -6.3 3.3 24 21 A L H S+ 0 0 0 -4,-0.5 4,-2.6 -3,-0.3 -2,-0.2 0.893 110.7 53.3 -74.7 -41.5 -13.5 -1.7 1.6 26 23 A R H X S+ 0 0 1 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.883 107.8 54.4 -57.9 -38.1 -17.3 -1.9 2.2 27 24 A G H X S+ 0 0 0 -4,-2.2 4,-2.8 2,-0.2 -1,-0.2 0.911 107.5 47.4 -62.0 -44.5 -16.5 -0.9 5.8 28 25 A I H X S+ 0 0 0 -4,-1.5 4,-2.1 2,-0.2 -2,-0.2 0.946 115.1 46.4 -62.1 -49.0 -14.6 2.2 4.7 29 26 A L H <>S+ 0 0 0 -4,-2.6 5,-3.0 1,-0.2 -2,-0.2 0.923 115.0 46.4 -58.0 -45.1 -17.4 3.2 2.3 30 27 A A H ><5S+ 0 0 13 -4,-2.6 3,-1.4 1,-0.2 -2,-0.2 0.905 109.7 53.5 -67.6 -45.9 -20.1 2.6 4.9 31 28 A H H 3<5S+ 0 0 47 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.916 109.6 48.5 -53.7 -46.4 -18.3 4.5 7.6 32 29 A C T 3<5S- 0 0 41 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.362 118.2-110.9 -81.7 5.6 -18.0 7.6 5.4 33 30 A G T < 5 + 0 0 47 -3,-1.4 -31,-0.3 1,-0.2 -3,-0.2 0.740 65.3 153.9 77.6 23.4 -21.7 7.4 4.5 34 31 A C < - 0 0 23 -5,-3.0 2,-0.3 -6,-0.2 -1,-0.2 -0.452 36.3-143.7 -83.2 158.3 -21.0 6.4 0.8 35 32 A S + 0 0 31 -33,-0.5 -24,-1.1 -2,-0.1 -25,-0.3 -0.896 24.8 173.8-116.6 146.7 -23.3 4.5 -1.6 36 33 A W E -b 11 0B 47 -2,-0.3 2,-0.2 -26,-0.1 -24,-0.2 -0.995 29.3-114.0-152.2 153.1 -21.9 2.1 -4.1 37 34 A D E -b 12 0B 42 -26,-1.9 -24,-2.7 -2,-0.3 2,-0.3 -0.627 27.3-158.6 -85.4 148.5 -22.9 -0.5 -6.7 38 35 A E - 0 0 65 -2,-0.2 2,-0.3 -26,-0.2 -24,-0.1 -0.765 4.3-144.6-120.4 169.4 -22.2 -4.2 -6.3 39 36 A H - 0 0 51 -24,-0.4 -24,-0.2 -26,-0.3 2,-0.1 -0.924 14.5-115.2-135.1 154.2 -22.0 -7.0 -8.8 40 37 A D > - 0 0 98 -2,-0.3 4,-2.1 -24,-0.1 3,-0.2 -0.362 39.2 -96.0 -84.9 171.7 -22.9 -10.7 -8.9 41 38 A V H > S+ 0 0 54 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.876 123.0 52.7 -56.6 -44.5 -20.5 -13.7 -9.4 42 39 A D H > S+ 0 0 122 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.910 110.6 48.2 -59.1 -43.4 -21.0 -13.9 -13.1 43 40 A A H > S+ 0 0 35 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.874 112.5 48.6 -63.5 -38.9 -20.2 -10.2 -13.6 44 41 A I H X S+ 0 0 2 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.949 112.4 47.1 -69.1 -46.9 -17.1 -10.5 -11.4 45 42 A E H X S+ 0 0 94 -4,-2.8 4,-1.4 1,-0.2 -2,-0.2 0.905 111.1 54.1 -61.1 -40.3 -15.8 -13.6 -13.3 46 43 A G H X S+ 0 0 39 -4,-2.4 4,-0.8 -5,-0.2 -1,-0.2 0.896 106.9 50.0 -55.6 -45.5 -16.6 -11.7 -16.6 47 44 A L H < S+ 0 0 25 -4,-1.9 3,-0.3 1,-0.2 -1,-0.2 0.841 110.3 51.0 -66.8 -33.2 -14.4 -8.7 -15.5 48 45 A X H < S+ 0 0 62 -4,-1.8 3,-0.3 1,-0.2 -1,-0.2 0.828 116.8 39.6 -69.7 -30.5 -11.6 -11.1 -14.6 49 46 A D H < S+ 0 0 134 -4,-1.4 -2,-0.2 -3,-0.2 -1,-0.2 0.349 86.9 90.2-106.5 2.2 -11.7 -12.8 -18.0 50 47 A C S < S- 0 0 51 -4,-0.8 -1,-0.2 -3,-0.3 -2,-0.1 0.621 99.0 -94.9 -81.7 -6.4 -12.3 -10.0 -20.5 51 48 A G >> - 0 0 29 -3,-0.3 3,-1.6 -4,-0.2 4,-0.6 0.094 33.3 -89.9 99.3 144.1 -8.6 -9.2 -21.1 52 49 A A G >4 S+ 0 0 62 1,-0.3 3,-1.2 2,-0.2 -1,-0.1 0.849 123.9 55.4 -56.3 -42.2 -6.3 -6.7 -19.5 53 50 A E G 34 S+ 0 0 155 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.1 0.701 109.1 47.7 -67.3 -22.9 -7.2 -4.0 -22.1 54 51 A K G <4 S+ 0 0 100 -3,-1.6 -1,-0.3 -4,-0.1 -2,-0.2 0.445 90.4 97.4 -98.3 -5.6 -10.9 -4.3 -21.4 55 52 A Q S << S- 0 0 23 -3,-1.2 3,-0.2 -4,-0.6 -7,-0.1 -0.490 84.7-120.8 -76.3 153.2 -10.6 -4.2 -17.5 56 53 A P S S- 0 0 56 0, 0.0 2,-0.3 0, 0.0 17,-0.3 0.894 105.1 -3.3 -61.2 -38.0 -11.3 -0.8 -15.8 57 54 A V S S- 0 0 46 15,-0.1 2,-0.2 17,-0.1 17,-0.1 -0.947 96.9 -98.1-141.4 144.0 -7.7 -1.2 -14.5 58 55 A A + 0 0 61 -2,-0.3 2,-0.3 -3,-0.2 17,-0.2 -0.489 60.6 156.6 -61.1 128.2 -5.7 -4.4 -15.2 59 56 A F - 0 0 26 -2,-0.2 5,-0.1 1,-0.1 -4,-0.0 -0.958 43.5-146.4-149.6 166.5 -6.0 -6.7 -12.1 60 57 A X S S+ 0 0 177 1,-0.4 -1,-0.1 -2,-0.3 -2,-0.0 0.833 81.4 5.6-100.9 -60.5 -5.8 -10.4 -11.1 61 58 A G S S- 0 0 33 2,-0.1 15,-0.5 1,-0.0 -1,-0.4 -0.883 86.7 -68.5-124.6 160.2 -8.4 -10.7 -8.3 62 59 A P S S+ 0 0 14 0, 0.0 2,-0.1 0, 0.0 -47,-0.1 -0.284 76.8 87.8 -74.9 167.7 -11.0 -8.6 -6.7 63 60 A P + 0 0 1 0, 0.0 13,-0.7 0, 0.0 2,-0.4 0.376 54.4 172.3 -69.2 148.7 -11.8 -6.2 -5.1 64 61 A V E -CD 14 75B 0 -50,-1.7 -50,-3.3 11,-0.2 2,-0.4 -0.998 12.1-162.7-123.9 132.3 -11.9 -3.7 -7.9 65 62 A L E -CD 13 74B 0 9,-2.7 9,-2.4 -2,-0.4 2,-0.5 -0.971 6.7-161.9-118.2 129.8 -13.2 -0.1 -7.3 66 63 A I E -CD 12 73B 31 -54,-2.6 -54,-2.4 -2,-0.4 2,-0.8 -0.955 6.3-157.1-108.3 126.9 -14.3 2.4 -9.8 67 64 A D E >>> -CD 11 72B 0 5,-3.3 5,-1.8 -2,-0.5 4,-0.8 -0.914 7.7-171.1-101.7 98.7 -14.5 6.0 -8.7 68 65 A R T 345S+ 0 0 52 -58,-2.8 -1,-0.1 -2,-0.8 3,-0.1 0.800 80.6 58.7 -68.9 -28.5 -17.0 7.5 -11.2 69 66 A E T 345S+ 0 0 89 -59,-0.5 -1,-0.2 1,-0.2 -58,-0.1 0.834 119.0 29.7 -67.4 -32.6 -16.4 11.1 -10.0 70 67 A R T <45S- 0 0 106 -3,-0.6 -1,-0.2 -60,-0.2 -2,-0.2 0.392 103.5-127.1-106.8 0.3 -12.7 10.9 -10.7 71 68 A N T <5 + 0 0 148 -4,-0.8 2,-0.4 1,-0.2 -3,-0.2 0.910 64.4 137.4 47.2 53.8 -13.0 8.4 -13.6 72 69 A F E < -D 67 0B 89 -5,-1.8 -5,-3.3 2,-0.0 2,-0.4 -0.989 39.7-161.3-138.1 135.5 -10.4 6.2 -11.8 73 70 A A E +D 66 0B 14 -2,-0.4 2,-0.3 -17,-0.3 -7,-0.2 -0.906 12.2 178.2-121.0 141.6 -10.2 2.4 -11.2 74 71 A I E -D 65 0B 33 -9,-2.4 -9,-2.7 -2,-0.4 2,-0.2 -0.999 8.4-173.5-147.4 138.8 -8.1 0.7 -8.7 75 72 A S E +D 64 0B 15 -2,-0.3 -11,-0.2 -11,-0.2 4,-0.1 -0.686 48.8 78.2-120.7-178.1 -7.4 -2.9 -7.6 76 73 A Q S > S- 0 0 125 -13,-0.7 4,-2.8 -15,-0.5 3,-0.5 0.801 72.5-125.2 74.6 106.7 -5.4 -4.4 -4.7 77 74 A X H > S+ 0 0 1 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.875 109.3 51.7 -52.9 -43.6 -7.3 -4.0 -1.4 78 75 A P H > S+ 0 0 10 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.903 112.4 46.4 -61.6 -36.4 -4.5 -2.2 0.4 79 76 A A H > S+ 0 0 47 -3,-0.5 4,-2.3 2,-0.2 -2,-0.2 0.902 113.7 48.5 -66.8 -43.2 -4.2 0.3 -2.5 80 77 A I H X S+ 0 0 0 -4,-2.8 4,-2.8 2,-0.2 5,-0.3 0.914 109.7 52.8 -61.0 -43.6 -8.0 0.8 -2.6 81 78 A A H X S+ 0 0 0 -4,-2.6 4,-2.1 -5,-0.3 -2,-0.2 0.924 113.3 41.9 -60.9 -44.3 -8.2 1.3 1.2 82 79 A I H X S+ 0 0 26 -4,-1.7 4,-2.1 2,-0.2 -1,-0.2 0.883 112.6 54.7 -75.0 -37.7 -5.5 4.0 1.3 83 80 A Y H X S+ 0 0 47 -4,-2.3 4,-2.8 2,-0.2 -2,-0.2 0.936 112.0 44.0 -53.9 -52.2 -7.0 5.7 -1.9 84 81 A L H X S+ 0 0 0 -4,-2.8 4,-2.7 1,-0.2 -2,-0.2 0.851 108.4 58.8 -65.0 -34.6 -10.4 5.9 -0.1 85 82 A G H <>S+ 0 0 0 -4,-2.1 5,-2.2 -5,-0.3 6,-0.4 0.896 112.4 39.3 -61.8 -38.9 -8.8 7.1 3.0 86 83 A E H ><5S+ 0 0 120 -4,-2.1 3,-0.8 3,-0.2 -2,-0.2 0.935 116.9 49.2 -71.1 -49.8 -7.3 10.1 1.2 87 84 A R H 3<5S+ 0 0 68 -4,-2.8 -2,-0.2 1,-0.2 -3,-0.2 0.876 120.2 37.0 -57.8 -38.7 -10.4 10.7 -1.0 88 85 A L T 3<5S- 0 0 39 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.306 108.5-120.2-103.3 5.8 -12.7 10.5 2.1 89 86 A D T < 5S+ 0 0 140 -3,-0.8 -3,-0.2 -4,-0.3 -4,-0.1 0.860 72.8 124.8 64.1 43.8 -10.4 12.3 4.6 90 87 A I < + 0 0 24 -5,-2.2 77,-2.1 -6,-0.2 -4,-0.2 -0.196 46.2 93.1-127.0 41.1 -10.0 9.5 7.2 91 88 A L S S- 0 0 26 -6,-0.4 7,-0.1 75,-0.2 6,-0.0 -0.916 83.0 -91.3-121.0 157.8 -6.2 9.2 7.3 92 89 A P - 0 0 24 0, 0.0 6,-0.1 0, 0.0 -2,-0.1 -0.261 32.2-120.3 -62.7 161.6 -3.7 10.9 9.6 93 90 A A S S+ 0 0 108 4,-0.1 2,-0.3 5,-0.0 3,-0.0 0.368 86.1 78.1 -84.9 -1.7 -2.2 14.2 8.5 94 91 A T S > S- 0 0 70 1,-0.1 4,-2.6 0, 0.0 5,-0.2 -0.793 80.8-126.4-110.5 153.0 1.5 12.9 8.5 95 92 A V H > S+ 0 0 79 -2,-0.3 4,-2.5 1,-0.2 5,-0.1 0.866 115.0 55.1 -57.7 -37.5 3.4 10.8 6.1 96 93 A E H > S+ 0 0 124 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.897 109.1 45.5 -60.9 -45.2 4.2 8.6 9.1 97 94 A G H > S+ 0 0 8 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.888 114.0 47.7 -71.7 -40.6 0.5 8.1 9.9 98 95 A R H X S+ 0 0 93 -4,-2.6 4,-2.0 2,-0.2 -1,-0.2 0.896 113.6 49.5 -61.8 -40.6 -0.5 7.4 6.3 99 96 A T H X S+ 0 0 81 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.881 109.5 49.1 -69.7 -45.3 2.4 5.0 6.0 100 97 A L H X S+ 0 0 69 -4,-2.5 4,-2.7 2,-0.2 -1,-0.2 0.857 108.3 56.0 -58.6 -37.8 1.5 3.1 9.2 101 98 A S H X S+ 0 0 0 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.935 107.5 48.4 -61.7 -42.5 -2.1 2.9 7.9 102 99 A A H X S+ 0 0 29 -4,-2.0 4,-2.3 2,-0.2 5,-0.2 0.930 110.9 51.6 -59.4 -48.7 -0.7 1.3 4.7 103 100 A K H X S+ 0 0 73 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.947 109.9 48.5 -51.5 -50.7 1.3 -1.1 6.9 104 101 A I H X S+ 0 0 2 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.904 111.2 49.4 -60.0 -43.7 -1.8 -2.1 8.9 105 102 A V H X S+ 0 0 0 -4,-2.3 4,-2.8 2,-0.2 -1,-0.2 0.872 112.2 48.6 -62.0 -37.3 -3.9 -2.7 5.7 106 103 A N H X S+ 0 0 71 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.905 109.9 51.9 -69.1 -39.8 -1.2 -4.9 4.2 107 104 A D H X S+ 0 0 21 -4,-2.6 4,-2.1 -5,-0.2 -2,-0.2 0.939 111.4 47.3 -58.7 -49.4 -1.0 -6.7 7.5 108 105 A A H X S+ 0 0 0 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.915 109.1 53.3 -53.8 -49.7 -4.8 -7.2 7.4 109 106 A N H X S+ 0 0 20 -4,-2.8 4,-1.5 1,-0.2 -1,-0.2 0.879 111.4 48.4 -54.0 -41.5 -4.5 -8.4 3.7 110 107 A D H X S+ 0 0 71 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.833 106.9 53.0 -66.6 -40.0 -1.9 -10.9 4.9 111 108 A V H X S+ 0 0 0 -4,-2.1 4,-2.7 2,-0.2 5,-0.2 0.916 106.9 54.7 -63.8 -40.3 -4.0 -12.3 7.9 112 109 A L H X S+ 0 0 2 -4,-2.3 4,-1.0 1,-0.2 -2,-0.2 0.926 110.1 46.2 -60.5 -43.5 -6.8 -12.9 5.4 113 110 A D H <>S+ 0 0 38 -4,-1.5 5,-2.9 2,-0.2 3,-0.4 0.905 111.5 49.9 -63.0 -43.1 -4.6 -15.0 3.2 114 111 A E H ><5S+ 0 0 42 -4,-2.2 3,-1.1 1,-0.2 -2,-0.2 0.894 107.0 55.4 -67.2 -35.9 -3.1 -17.0 6.1 115 112 A L H 3<5S+ 0 0 0 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.792 116.7 37.5 -61.5 -29.1 -6.6 -17.8 7.5 116 113 A T T ><5S- 0 0 6 -4,-1.0 3,-1.7 -3,-0.4 4,-0.3 0.153 111.3-115.8-113.1 16.6 -7.5 -19.2 4.1 117 114 A L G X 5S- 0 0 21 -3,-1.1 3,-1.1 1,-0.3 5,-0.3 0.907 74.8 -57.5 49.1 46.0 -4.2 -20.9 3.2 118 115 A N G 3 - 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