==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-AUG-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 22-APR-11 3RN6 . COMPND 2 MOLECULE: CYTOSINE DEAMINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR A.A.FEDOROV,E.V.FEDOROV,D.S.HITCHCOCK,F.M.RAUSHEL,S.C.ALMO . 422 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17787.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 309 73.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 46 10.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 35 8.3 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 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 48 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 116 27.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 2.4 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 1 0 4 0 0 1 2 1 1 1 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 2 2 2 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 PARALLEL BRIDGES PER LADDER . 2 0 3 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 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 0 0 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 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 4 A A 0 0 119 0, 0.0 2,-0.4 0, 0.0 398,-0.1 0.000 360.0 360.0 360.0 170.5 -32.9 -3.6 -11.4 2 5 A L + 0 0 40 396,-0.3 40,-0.2 1,-0.1 3,-0.1 -0.960 360.0 167.0-110.2 134.7 -32.5 -0.6 -13.9 3 6 A Q + 0 0 105 38,-2.7 18,-1.6 -2,-0.4 2,-0.3 0.441 59.9 22.8-126.8 -2.7 -29.5 1.6 -13.5 4 7 A T E -Ab 20 42A 14 37,-1.1 39,-2.5 16,-0.2 2,-0.4 -0.977 49.2-149.8-163.5 147.8 -29.4 3.6 -16.7 5 8 A I E -Ab 19 43A 0 14,-2.2 14,-2.8 -2,-0.3 2,-0.3 -0.990 30.5-164.7-115.3 130.1 -31.4 5.0 -19.7 6 9 A I E + b 0 44A 0 37,-2.3 39,-2.9 -2,-0.4 40,-0.5 -0.853 53.6 21.0-121.9 153.2 -29.4 5.4 -22.9 7 10 A N E S+ 0 0 6 10,-0.5 40,-2.5 -2,-0.3 41,-0.5 0.953 79.0 155.1 65.4 54.2 -29.7 7.1 -26.2 8 11 A A E -Ab 17 48A 0 9,-1.8 9,-0.9 -3,-0.2 2,-0.3 -0.926 35.9-145.6-119.6 135.9 -32.3 9.7 -25.1 9 12 A R E - b 0 49A 58 39,-2.7 41,-2.7 -2,-0.4 7,-0.1 -0.722 14.2-152.5 -90.3 149.2 -33.1 13.1 -26.5 10 13 A L > - 0 0 26 5,-0.4 3,-2.0 -2,-0.3 41,-0.1 -0.947 33.5 -89.1-118.6 142.7 -34.2 15.9 -24.2 11 14 A P T 3 S+ 0 0 74 0, 0.0 3,-0.1 0, 0.0 369,-0.1 -0.267 110.9 0.3 -48.1 122.9 -36.4 18.8 -25.1 12 15 A G T 3 S+ 0 0 76 1,-0.2 2,-0.4 -2,-0.0 368,-0.0 0.709 107.3 119.5 68.4 23.0 -34.3 21.7 -26.4 13 16 A E < - 0 0 107 -3,-2.0 -3,-0.3 2,-0.1 -1,-0.2 -0.944 63.1-115.4-124.6 144.1 -31.0 19.8 -26.0 14 17 A E - 0 0 169 -2,-0.4 -4,-0.0 -3,-0.1 0, 0.0 -0.458 68.3 -24.6 -76.3 141.9 -28.3 18.8 -28.5 15 18 A G S S- 0 0 45 -2,-0.2 -5,-0.4 16,-0.1 2,-0.1 0.098 94.9 -35.0 58.6-164.1 -27.6 15.2 -29.2 16 19 A L - 0 0 15 16,-0.2 16,-1.8 -7,-0.1 2,-0.3 -0.407 51.7-162.8 -96.7 169.1 -28.1 12.1 -27.1 17 20 A W E -AC 8 31A 45 -9,-0.9 -9,-1.8 14,-0.2 -10,-0.5 -0.943 14.6-135.6-148.9 161.1 -27.9 11.6 -23.3 18 21 A Q E - C 0 30A 41 12,-2.5 12,-2.1 -2,-0.3 2,-0.5 -0.988 15.6-153.0-126.6 134.0 -27.7 9.0 -20.6 19 22 A I E -AC 5 29A 0 -14,-2.8 -14,-2.2 -2,-0.4 2,-0.4 -0.938 9.6-146.2-115.9 120.0 -29.7 9.0 -17.4 20 23 A H E -AC 4 28A 47 8,-3.7 7,-2.8 -2,-0.5 8,-1.0 -0.700 11.3-158.2 -91.3 126.8 -28.4 7.3 -14.3 21 24 A L E + C 0 26A 5 -18,-1.6 2,-0.3 -2,-0.4 5,-0.2 -0.864 17.6 164.7-108.4 134.4 -30.8 5.7 -11.9 22 25 A Q S S- 0 0 120 3,-2.0 3,-0.3 -2,-0.4 -19,-0.1 -0.824 71.1 -17.2-151.5 108.5 -30.2 4.9 -8.2 23 26 A D S S- 0 0 156 -2,-0.3 3,-0.1 1,-0.2 375,-0.1 0.803 125.4 -52.2 72.8 31.7 -32.8 4.0 -5.6 24 27 A G S S+ 0 0 20 1,-0.3 347,-2.2 346,-0.1 2,-0.3 0.695 120.2 98.4 76.5 20.4 -35.7 5.2 -7.7 25 28 A K B S-G 370 0B 112 345,-0.3 -3,-2.0 -3,-0.3 2,-0.6 -0.844 80.7-105.1-128.5 168.3 -34.1 8.7 -8.2 26 29 A I E +C 21 0A 2 343,-2.3 342,-2.5 340,-0.3 -5,-0.2 -0.876 34.5 175.6 -94.6 119.6 -32.2 10.3 -11.0 27 30 A S E - 0 0 54 -7,-2.8 2,-0.3 -2,-0.6 -1,-0.2 0.811 62.3 -6.2 -92.0 -36.5 -28.5 10.5 -9.9 28 31 A A E -C 20 0A 30 -8,-1.0 -8,-3.7 338,-0.1 2,-0.5 -0.981 44.9-156.4-164.1 146.8 -27.0 12.0 -13.0 29 32 A I E +C 19 0A 45 -2,-0.3 2,-0.3 -10,-0.2 -10,-0.2 -0.979 25.7 178.0-126.7 114.7 -27.7 13.0 -16.6 30 33 A D E -C 18 0A 75 -12,-2.1 -12,-2.5 -2,-0.5 -2,-0.0 -0.906 28.4-112.2-122.3 147.7 -24.6 13.2 -18.9 31 34 A A E -C 17 0A 66 -2,-0.3 2,-0.3 -14,-0.2 -14,-0.2 -0.164 30.9-131.5 -65.2 165.6 -24.2 13.9 -22.6 32 35 A Q - 0 0 30 -16,-1.8 -16,-0.2 1,-0.1 3,-0.1 -0.879 12.5-141.7-118.1 156.1 -23.2 11.3 -25.0 33 36 A S S S- 0 0 140 1,-0.4 2,-0.3 -2,-0.3 -1,-0.1 0.504 80.8 -62.8 -86.1 -8.9 -20.5 11.3 -27.7 34 37 A G S S- 0 0 29 -18,-0.0 -1,-0.4 -19,-0.0 -27,-0.1 -0.876 91.6 -4.6 150.9-177.5 -23.1 9.3 -29.7 35 38 A V - 0 0 98 -2,-0.3 -2,-0.0 -3,-0.1 -29,-0.0 -0.006 62.3-149.4 -41.5 130.0 -25.1 6.1 -29.9 36 39 A M - 0 0 48 1,-0.0 2,-0.2 -4,-0.0 -1,-0.1 -0.757 18.1-103.5-105.5 154.2 -24.3 3.6 -27.2 37 40 A P - 0 0 105 0, 0.0 2,-0.6 0, 0.0 -1,-0.0 -0.522 42.6-102.7 -75.7 140.0 -24.4 -0.2 -27.2 38 41 A I - 0 0 117 -2,-0.2 2,-0.2 6,-0.0 6,-0.0 -0.486 45.6-174.9 -69.9 109.8 -27.4 -1.8 -25.4 39 42 A T > - 0 0 59 -2,-0.6 3,-0.8 1,-0.1 2,-0.2 -0.571 31.5 -97.4 -97.8 163.9 -26.2 -3.2 -22.1 40 43 A E T 3 S+ 0 0 158 1,-0.2 3,-0.1 -2,-0.2 -1,-0.1 -0.571 110.4 30.4 -78.2 150.1 -28.2 -5.2 -19.5 41 44 A N T 3 S+ 0 0 89 1,-0.3 -38,-2.7 -2,-0.2 -37,-1.1 0.231 104.3 97.8 81.3 -15.4 -29.7 -3.2 -16.7 42 45 A S E < -b 4 0A 14 -3,-0.8 2,-0.5 -40,-0.2 -1,-0.3 -0.774 69.0-138.4-100.9 151.8 -30.0 -0.2 -19.1 43 46 A L E -b 5 0A 20 -39,-2.5 -37,-2.3 -2,-0.3 2,-0.7 -0.942 19.3-130.6-108.1 130.6 -33.2 0.7 -20.9 44 47 A D E -b 6 0A 35 -2,-0.5 -37,-0.2 -39,-0.2 -39,-0.1 -0.729 18.5-172.5 -88.1 115.4 -32.8 1.7 -24.6 45 48 A A E > - 0 0 3 -39,-2.9 3,-0.9 -2,-0.7 -38,-0.2 0.765 27.5-145.0 -72.1 -25.6 -34.5 5.0 -25.5 46 49 A E E 3 - 0 0 111 -40,-0.5 -38,-0.1 1,-0.3 -39,-0.1 0.832 67.0 -56.3 64.4 33.0 -33.6 4.3 -29.1 47 50 A Q E 3 S+ 0 0 80 -40,-2.5 -1,-0.3 -41,-0.3 -39,-0.2 0.699 104.1 141.8 70.7 21.0 -33.2 8.0 -29.7 48 51 A G E < -b 8 0A 3 -3,-0.9 -39,-2.7 -41,-0.5 2,-0.4 -0.243 57.6 -90.3 -80.5 178.2 -36.7 8.7 -28.5 49 52 A L E -bD 9 376A 3 327,-2.5 327,-2.8 329,-0.2 2,-0.5 -0.781 32.8-153.1 -98.3 133.7 -37.7 11.7 -26.5 50 53 A V E + D 0 375A 1 -41,-2.7 325,-0.2 -2,-0.4 315,-0.1 -0.917 26.7 151.2-109.4 130.8 -37.6 11.6 -22.7 51 54 A I E - D 0 374A 5 323,-2.0 323,-2.6 -2,-0.5 3,-0.1 -0.918 50.6 -85.5-145.1 164.0 -39.9 13.9 -20.6 52 55 A P - 0 0 4 0, 0.0 321,-0.2 0, 0.0 300,-0.1 -0.368 68.4 -73.9 -71.4 163.9 -41.6 13.7 -17.3 53 56 A P - 0 0 1 0, 0.0 60,-0.2 0, 0.0 59,-0.1 -0.065 51.8 -96.5 -61.8 156.2 -44.9 11.9 -17.3 54 57 A F E -h 113 0C 3 58,-1.9 60,-1.5 57,-0.1 61,-1.1 -0.362 36.9-146.7 -62.4 146.9 -48.1 13.3 -18.7 55 58 A V E -h 115 0C 0 295,-2.3 61,-0.2 58,-0.2 300,-0.1 -0.931 9.3-156.9-116.8 143.2 -50.5 15.0 -16.2 56 59 A E E +h 116 0C 0 59,-2.4 61,-2.5 -2,-0.4 3,-0.1 -0.913 14.3 178.4-116.4 100.7 -54.2 15.0 -16.4 57 60 A P E + 0 0 0 0, 0.0 2,-0.3 0, 0.0 251,-0.1 0.505 67.8 34.1 -84.1 -2.5 -55.3 18.0 -14.4 58 61 A H E + 0 0 0 249,-0.1 252,-3.0 213,-0.1 251,-0.8 -0.818 68.7 129.5-158.1 107.8 -59.0 17.7 -14.9 59 62 A I E -hi 118 310C 0 58,-1.2 60,-2.6 -2,-0.3 2,-0.6 -0.977 45.4-133.1-153.3 155.8 -61.1 14.5 -15.3 60 63 A H >> + 0 0 11 250,-1.2 3,-0.9 -2,-0.3 4,-0.7 -0.803 24.8 173.8-115.3 90.0 -64.3 13.1 -13.7 61 64 A L T 34 S+ 0 0 0 -2,-0.6 -1,-0.1 1,-0.2 43,-0.1 0.692 74.8 63.3 -72.1 -18.4 -63.5 9.5 -12.8 62 65 A D T 34 S+ 0 0 1 57,-0.7 -1,-0.2 1,-0.2 38,-0.1 0.774 111.4 36.7 -75.2 -22.2 -66.9 9.0 -11.0 63 66 A T T X4 S+ 0 0 2 -3,-0.9 3,-0.9 37,-0.1 -2,-0.2 0.520 89.7 126.2-101.5 -7.5 -68.8 9.6 -14.3 64 67 A T T 3< S+ 0 0 0 -4,-0.7 249,-0.2 1,-0.2 250,-0.1 -0.142 72.3 10.0 -61.6 142.7 -66.4 7.8 -16.6 65 68 A Q T 3 S+ 0 0 38 247,-1.9 -1,-0.2 1,-0.1 249,-0.2 0.749 92.3 110.9 67.9 27.8 -67.5 5.0 -18.9 66 69 A T X + 0 0 0 -3,-0.9 3,-1.3 247,-0.6 248,-0.2 0.187 35.1 148.4-116.0 17.4 -71.3 5.5 -18.4 67 70 A A T 3 + 0 0 10 246,-1.4 5,-0.1 1,-0.2 247,-0.1 -0.347 68.5 18.5 -64.8 121.3 -72.4 6.9 -21.7 68 71 A G T 3 S+ 0 0 22 3,-0.6 -1,-0.2 -2,-0.2 4,-0.2 0.610 88.8 146.2 99.7 17.7 -76.0 5.9 -22.6 69 72 A Q S < S- 0 0 90 -3,-1.3 -1,-0.2 2,-0.4 2,-0.2 -0.983 81.3 -19.0-138.1 119.1 -77.2 5.0 -19.2 70 73 A P S S- 0 0 60 0, 0.0 2,-0.2 0, 0.0 14,-0.0 -0.897 137.8 -13.1 -75.3 -33.0 -80.0 5.5 -18.4 71 74 A N - 0 0 90 13,-0.2 -3,-0.6 -2,-0.2 -2,-0.4 -0.756 67.6-105.0-125.9 171.7 -80.4 8.0 -21.3 72 75 A W - 0 0 144 -2,-0.2 2,-1.6 -4,-0.2 3,-0.2 -0.672 31.0-109.8 -97.7 149.1 -78.4 10.0 -23.8 73 76 A N + 0 0 23 -2,-0.3 8,-0.1 242,-0.2 7,-0.0 -0.652 43.3 176.3 -69.7 89.5 -77.4 13.7 -23.9 74 77 A Q S S+ 0 0 159 -2,-1.6 -1,-0.2 1,-0.2 0, 0.0 0.926 77.6 39.1 -64.2 -47.7 -79.7 14.4 -26.9 75 78 A S S S- 0 0 50 -3,-0.2 -1,-0.2 2,-0.1 -2,-0.1 0.722 98.7-138.2 -77.2 -24.5 -79.1 18.2 -27.0 76 79 A G + 0 0 6 1,-0.2 2,-0.2 239,-0.1 -2,-0.1 0.827 50.8 144.5 65.5 35.8 -75.4 17.8 -26.1 77 80 A T > - 0 0 17 1,-0.1 4,-2.3 205,-0.0 -1,-0.2 -0.672 64.0-120.3-103.1 159.5 -75.3 20.7 -23.7 78 81 A L H > S+ 0 0 11 201,-0.4 4,-1.0 -2,-0.2 -1,-0.1 0.790 117.0 50.8 -63.5 -26.6 -73.4 21.3 -20.4 79 82 A F H > S+ 0 0 75 2,-0.2 4,-1.0 1,-0.1 -1,-0.2 0.807 110.5 45.1 -82.4 -34.4 -76.9 21.6 -18.7 80 83 A E H > S+ 0 0 30 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.787 106.2 61.1 -80.0 -28.7 -78.4 18.4 -20.1 81 84 A G H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.944 105.4 49.1 -52.8 -48.1 -75.2 16.5 -19.3 82 85 A I H X S+ 0 0 7 -4,-1.0 4,-1.6 2,-0.2 -2,-0.2 0.797 110.2 50.2 -65.0 -32.8 -76.0 17.5 -15.7 83 86 A E H X S+ 0 0 113 -4,-1.0 4,-1.1 2,-0.2 -1,-0.2 0.924 112.8 45.9 -68.8 -47.5 -79.7 16.3 -16.0 84 87 A R H X S+ 0 0 47 -4,-2.8 4,-2.0 1,-0.2 -2,-0.2 0.853 111.5 53.4 -60.7 -39.3 -78.5 12.9 -17.4 85 88 A W H X S+ 0 0 2 -4,-2.3 4,-2.7 -5,-0.2 -1,-0.2 0.899 103.4 55.2 -64.3 -44.0 -75.9 12.6 -14.7 86 89 A A H X S+ 0 0 37 -4,-1.6 4,-0.5 2,-0.2 -1,-0.2 0.791 108.3 49.9 -62.5 -30.2 -78.4 13.1 -11.9 87 90 A E H >< S+ 0 0 60 -4,-1.1 3,-0.6 2,-0.2 4,-0.2 0.925 116.8 40.0 -67.7 -49.0 -80.4 10.2 -13.3 88 91 A R H >< S+ 0 0 16 -4,-2.0 3,-1.0 1,-0.2 -2,-0.2 0.722 106.1 65.6 -73.0 -24.6 -77.3 8.0 -13.4 89 92 A K H >< S+ 0 0 22 -4,-2.7 3,-0.9 1,-0.2 -1,-0.2 0.731 92.3 63.9 -70.2 -21.4 -76.1 9.3 -10.1 90 93 A A T << S+ 0 0 82 -3,-0.6 -1,-0.2 -4,-0.5 -2,-0.2 0.690 103.0 48.5 -72.1 -18.6 -79.2 7.7 -8.5 91 94 A L T < S+ 0 0 103 -3,-1.0 2,-0.4 -4,-0.2 -1,-0.2 0.017 81.1 132.9-111.7 22.9 -77.8 4.2 -9.5 92 95 A L < - 0 0 19 -3,-0.9 2,-0.3 4,-0.1 36,-0.1 -0.630 30.6-177.8 -78.6 130.3 -74.3 4.6 -8.2 93 96 A T > - 0 0 74 -2,-0.4 4,-2.6 1,-0.1 5,-0.2 -0.929 39.1-114.8-121.5 154.2 -72.9 1.8 -6.2 94 97 A H H > S+ 0 0 77 -2,-0.3 4,-1.8 1,-0.2 5,-0.2 0.852 118.2 45.5 -42.3 -46.3 -69.5 1.5 -4.5 95 98 A D H > S+ 0 0 113 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.891 110.2 53.1 -74.1 -39.7 -68.5 -1.4 -6.9 96 99 A D H > S+ 0 0 32 2,-0.2 4,-2.3 1,-0.2 5,-0.3 0.957 110.0 47.8 -58.9 -53.4 -69.8 0.4 -10.0 97 100 A V H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 5,-0.3 0.926 114.5 45.2 -53.7 -51.4 -67.7 3.5 -9.3 98 101 A K H X S+ 0 0 36 -4,-1.8 4,-1.9 -5,-0.2 -1,-0.2 0.885 111.3 53.5 -64.6 -37.4 -64.5 1.6 -8.6 99 102 A Q H X S+ 0 0 116 -4,-2.5 4,-1.5 2,-0.2 -1,-0.2 0.951 114.9 39.1 -62.1 -48.8 -64.9 -0.7 -11.6 100 103 A R H X S+ 0 0 8 -4,-2.3 4,-2.0 1,-0.2 5,-0.2 0.879 114.2 52.7 -71.3 -41.9 -65.3 2.2 -14.0 101 104 A A H X S+ 0 0 0 -4,-2.5 4,-2.2 -5,-0.3 -1,-0.2 0.848 108.9 51.7 -62.8 -35.9 -62.6 4.5 -12.5 102 105 A W H X S+ 0 0 50 -4,-1.9 4,-2.1 -5,-0.3 -1,-0.2 0.886 105.6 54.9 -69.3 -38.4 -60.1 1.6 -12.6 103 106 A Q H X S+ 0 0 75 -4,-1.5 4,-1.9 2,-0.2 3,-0.4 0.979 113.1 40.4 -58.8 -56.1 -60.8 1.0 -16.3 104 107 A T H X S+ 0 0 0 -4,-2.0 4,-2.4 1,-0.3 -1,-0.2 0.893 112.0 57.1 -59.7 -41.5 -60.1 4.6 -17.2 105 108 A L H X S+ 0 0 0 -4,-2.2 4,-2.0 -5,-0.2 -1,-0.3 0.871 105.0 52.5 -57.1 -36.3 -57.1 4.7 -14.8 106 109 A K H X S+ 0 0 125 -4,-2.1 4,-2.5 -3,-0.4 -1,-0.2 0.933 107.1 50.7 -67.7 -44.9 -55.7 1.7 -16.7 107 110 A W H X S+ 0 0 77 -4,-1.9 4,-1.1 1,-0.2 -1,-0.2 0.904 109.1 54.1 -54.7 -41.3 -55.9 3.5 -20.0 108 111 A Q H <>S+ 0 0 0 -4,-2.4 5,-2.4 2,-0.2 3,-0.4 0.904 106.8 48.2 -63.7 -43.3 -54.2 6.5 -18.4 109 112 A I H ><5S+ 0 0 21 -4,-2.0 3,-2.0 1,-0.2 -1,-0.2 0.939 109.3 54.6 -60.2 -47.1 -51.2 4.4 -17.2 110 113 A A H 3<5S+ 0 0 48 -4,-2.5 281,-0.4 1,-0.3 -1,-0.2 0.753 107.8 52.6 -53.5 -27.2 -51.0 2.9 -20.7 111 114 A N T 3<5S- 0 0 32 -4,-1.1 -1,-0.3 -3,-0.4 213,-0.3 0.205 122.1-102.1-102.4 14.9 -50.8 6.5 -22.0 112 115 A G T < 5S+ 0 0 0 -3,-2.0 -58,-1.9 1,-0.2 2,-0.7 0.658 71.5 144.8 83.6 16.8 -48.0 7.6 -19.8 113 116 A I E < +h 54 0C 1 -5,-2.4 -1,-0.2 -60,-0.2 -58,-0.2 -0.799 13.1 162.2 -95.1 115.1 -50.0 9.6 -17.2 114 117 A Q E + 0 0 1 -60,-1.5 31,-2.5 -2,-0.7 2,-0.4 0.460 63.9 55.1-110.8 -3.8 -48.6 9.3 -13.7 115 118 A H E +hj 55 145C 6 -61,-1.1 -59,-2.4 29,-0.2 2,-0.4 -0.997 62.8 171.3-132.2 131.5 -50.5 12.3 -12.1 116 119 A V E -hj 56 146C 0 29,-1.9 31,-2.9 -2,-0.4 2,-0.5 -0.998 20.9-161.2-143.0 134.3 -54.2 12.8 -12.2 117 120 A R E - 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