==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-MAR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 07-MAR-11 3R0D . COMPND 2 MOLECULE: CYTOSINE DEAMINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR A.A.FEDOROV,E.V.FEDOROV,S.KAMAT,D.HITCHCOCK,F.M.RAUSHEL,S.C. . 422 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17624.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 303 71.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 45 10.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 36 8.5 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 . 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 . 34 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 47 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 117 27.7 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 1 3 0 0 0 2 2 1 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 1 3 2 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 PARALLEL BRIDGES PER LADDER . 2 0 3 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 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 2 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 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 0 116 0, 0.0 2,-0.3 0, 0.0 398,-0.1 0.000 360.0 360.0 360.0 98.8 -32.4 -3.7 -11.6 2 5 A L + 0 0 45 396,-0.6 40,-0.2 1,-0.1 3,-0.1 -0.551 360.0 169.2 -73.9 131.4 -32.0 -0.8 -14.1 3 6 A Q + 0 0 107 38,-3.6 18,-3.0 1,-0.3 2,-0.3 0.571 63.1 21.8-113.7 -18.8 -28.8 1.2 -13.6 4 7 A T E -Ab 20 42A 19 37,-1.4 39,-2.8 16,-0.3 2,-0.5 -1.000 51.3-148.8-153.0 145.5 -28.8 3.3 -16.8 5 8 A I E -Ab 19 43A 0 14,-2.4 14,-2.8 -2,-0.3 2,-0.3 -0.989 33.5-164.4-109.1 127.0 -30.9 4.6 -19.6 6 9 A I E + b 0 44A 0 37,-2.6 39,-2.9 -2,-0.5 40,-0.4 -0.784 54.3 19.7-115.5 156.7 -28.8 4.9 -22.8 7 10 A N E S+ 0 0 3 -2,-0.3 40,-2.2 1,-0.2 41,-0.4 0.896 79.9 160.5 61.9 45.5 -29.1 6.7 -26.2 8 11 A A E -A 17 0A 0 9,-2.2 9,-1.9 -3,-0.2 2,-0.3 -0.803 33.2-146.2-103.7 138.3 -31.6 9.2 -25.0 9 12 A R B -e 49 0B 73 39,-3.1 41,-2.8 -2,-0.4 7,-0.1 -0.742 14.0-154.8 -90.9 150.6 -32.5 12.5 -26.6 10 13 A L > - 0 0 24 5,-0.4 3,-2.1 -2,-0.3 41,-0.1 -0.986 29.4 -96.4-126.5 138.2 -33.5 15.4 -24.3 11 14 A P T 3 S+ 0 0 74 0, 0.0 3,-0.1 0, 0.0 369,-0.1 -0.236 108.2 5.8 -52.2 132.4 -35.7 18.4 -25.4 12 15 A G T 3 S+ 0 0 74 1,-0.2 2,-0.3 0, 0.0 368,-0.0 0.610 110.0 109.7 70.6 14.2 -33.6 21.4 -26.4 13 16 A E < - 0 0 107 -3,-2.1 -3,-0.2 2,-0.1 2,-0.2 -0.881 65.1-117.3-124.3 155.3 -30.3 19.5 -26.1 14 17 A E - 0 0 159 -2,-0.3 -4,-0.0 -3,-0.1 0, 0.0 -0.597 65.8 -18.1 -91.5 148.2 -27.8 18.2 -28.7 15 18 A G S S- 0 0 53 -2,-0.2 -5,-0.4 16,-0.1 2,-0.2 -0.051 96.5 -34.9 63.7-158.5 -26.8 14.6 -29.3 16 19 A L - 0 0 19 16,-0.3 16,-2.7 -7,-0.1 2,-0.3 -0.666 52.1-156.8-105.5 158.3 -27.4 11.6 -27.1 17 20 A W E -AC 8 31A 47 -9,-1.9 -9,-2.2 14,-0.3 2,-0.5 -0.940 11.3-139.5-136.6 153.0 -27.4 11.3 -23.3 18 21 A Q E - C 0 30A 40 12,-3.3 12,-2.6 -2,-0.3 2,-0.6 -0.956 14.1-156.7-114.6 129.2 -26.9 8.7 -20.6 19 22 A I E -AC 5 29A 0 -14,-2.8 -14,-2.4 -2,-0.5 2,-0.4 -0.921 9.4-151.4-111.3 113.1 -29.1 8.7 -17.5 20 23 A H E -AC 4 28A 43 8,-3.1 7,-2.8 -2,-0.6 8,-1.1 -0.686 10.0-158.4 -89.1 131.1 -27.7 7.0 -14.4 21 24 A L E + C 0 26A 13 -18,-3.0 2,-0.2 -2,-0.4 5,-0.2 -0.781 16.2 167.1-109.3 152.3 -30.1 5.5 -11.9 22 25 A Q E > - C 0 25A 132 3,-2.1 3,-1.4 -2,-0.3 -19,-0.1 -0.813 68.7 -10.9-166.9 119.0 -29.5 4.6 -8.2 23 26 A D T 3 S- 0 0 156 1,-0.3 3,-0.1 -2,-0.2 375,-0.1 0.849 126.7 -54.7 57.4 37.7 -31.9 3.7 -5.4 24 27 A G T 3 S+ 0 0 26 1,-0.3 347,-2.7 374,-0.1 -1,-0.3 0.598 121.0 99.3 74.5 11.3 -34.9 4.7 -7.6 25 28 A K E < S-CD 22 370A 114 -3,-1.4 -3,-2.1 345,-0.3 2,-0.7 -0.777 82.7-101.0-120.8 167.5 -33.5 8.2 -8.2 26 29 A I E +C 21 0A 2 343,-2.8 342,-3.0 340,-0.3 -5,-0.2 -0.826 35.9 178.3 -87.4 118.2 -31.6 9.9 -11.0 27 30 A S E - 0 0 49 -7,-2.8 2,-0.3 -2,-0.7 -6,-0.2 0.860 60.2 -14.2 -90.4 -39.4 -27.9 10.0 -10.0 28 31 A A E -C 20 0A 31 -8,-1.1 -8,-3.1 338,-0.1 2,-0.5 -0.991 46.4-144.2-162.4 155.2 -26.4 11.7 -13.0 29 32 A I E -C 19 0A 45 -2,-0.3 2,-0.4 -10,-0.2 -10,-0.2 -0.965 26.8-178.6-127.1 113.8 -27.0 12.8 -16.6 30 33 A D E -C 18 0A 76 -12,-2.6 -12,-3.3 -2,-0.5 -2,-0.0 -0.920 27.2-117.5-119.9 137.3 -24.0 12.5 -18.9 31 34 A A E -C 17 0A 66 -2,-0.4 2,-0.3 -14,-0.2 -14,-0.3 -0.349 30.7-134.3 -64.0 147.1 -23.6 13.4 -22.6 32 35 A Q - 0 0 27 -16,-2.7 -16,-0.3 1,-0.1 3,-0.1 -0.710 8.3-143.1-101.2 157.5 -22.6 10.5 -24.9 33 36 A S S S- 0 0 141 -2,-0.3 2,-0.3 1,-0.3 -1,-0.1 0.650 78.7 -38.7 -89.3 -19.2 -20.0 10.5 -27.6 34 37 A G S S- 0 0 35 -19,-0.0 2,-0.3 -18,-0.0 -1,-0.3 -0.967 95.8 -27.8-179.6-171.7 -22.1 8.4 -29.8 35 38 A V - 0 0 96 -2,-0.3 -29,-0.0 -3,-0.1 -2,-0.0 -0.453 61.6-146.8 -62.8 119.7 -24.6 5.5 -30.0 36 39 A M - 0 0 50 -2,-0.3 2,-0.1 1,-0.1 3,-0.1 -0.639 14.7-114.1 -88.7 147.4 -23.8 3.2 -27.1 37 40 A P - 0 0 105 0, 0.0 -1,-0.1 0, 0.0 2,-0.0 -0.466 39.6 -92.1 -78.2 152.0 -24.2 -0.6 -27.3 38 41 A I - 0 0 111 -2,-0.1 2,-0.3 6,-0.0 5,-0.0 -0.355 49.6-178.4 -64.1 139.3 -26.9 -2.4 -25.2 39 42 A T > - 0 0 64 -3,-0.1 3,-1.8 -2,-0.0 5,-0.0 -0.957 35.6 -82.2-137.5 156.4 -25.6 -3.7 -21.8 40 43 A E T 3 S+ 0 0 158 -2,-0.3 3,-0.1 1,-0.3 -37,-0.1 -0.239 115.1 19.5 -54.8 144.3 -27.0 -5.6 -18.9 41 44 A N T 3 S+ 0 0 74 1,-0.2 -38,-3.6 -39,-0.1 -37,-1.4 0.539 104.0 110.2 71.2 6.4 -29.0 -3.5 -16.5 42 45 A S E < -b 4 0A 13 -3,-1.8 2,-0.5 -40,-0.2 -1,-0.2 -0.847 59.9-142.6-111.6 151.5 -29.4 -0.7 -19.0 43 46 A L E -b 5 0A 17 -39,-2.8 -37,-2.6 -2,-0.3 2,-0.7 -0.964 18.0-138.3-111.5 124.8 -32.5 0.4 -20.8 44 47 A D E -b 6 0A 40 -2,-0.5 -37,-0.2 -39,-0.2 -39,-0.1 -0.731 14.1-170.0 -88.9 112.2 -32.0 1.4 -24.5 45 48 A A > - 0 0 3 -39,-2.9 3,-1.4 -2,-0.7 -38,-0.2 0.619 30.0-139.7 -73.7 -12.8 -34.0 4.6 -25.4 46 49 A E T 3 - 0 0 100 -40,-0.4 -39,-0.1 1,-0.3 -38,-0.1 0.836 66.5 -56.5 57.4 36.3 -33.1 3.9 -29.0 47 50 A Q T 3 S+ 0 0 81 -40,-2.2 -1,-0.3 -41,-0.3 -39,-0.2 0.751 104.0 143.9 65.1 25.5 -32.5 7.6 -29.7 48 51 A G < - 0 0 2 -3,-1.4 -39,-3.1 -41,-0.4 2,-0.4 -0.354 57.7 -90.6 -83.4 172.4 -36.0 8.3 -28.5 49 52 A L E -eF 9 376B 2 327,-2.2 327,-2.7 329,-0.4 2,-0.5 -0.732 33.8-153.0 -90.7 129.0 -37.0 11.4 -26.4 50 53 A V E + F 0 375B 1 -41,-2.8 325,-0.2 -2,-0.4 315,-0.1 -0.900 26.9 154.5-104.6 126.9 -36.9 11.2 -22.7 51 54 A I E - F 0 374B 6 323,-2.0 323,-2.8 -2,-0.5 3,-0.1 -0.917 49.2 -87.2-139.0 162.7 -39.2 13.5 -20.7 52 55 A P - 0 0 3 0, 0.0 321,-0.2 0, 0.0 300,-0.1 -0.288 69.4 -72.0 -66.7 166.3 -40.8 13.4 -17.3 53 56 A P - 0 0 1 0, 0.0 60,-0.2 0, 0.0 59,-0.1 -0.165 51.7 -99.4 -65.1 152.6 -44.2 11.6 -17.2 54 57 A F E -i 113 0C 6 58,-1.8 60,-1.6 57,-0.1 61,-0.9 -0.328 38.3-145.1 -60.5 151.2 -47.3 12.9 -18.8 55 58 A V E -i 115 0C 0 295,-2.0 61,-0.2 58,-0.2 252,-0.1 -0.955 11.3-154.9-122.1 141.1 -49.7 14.6 -16.3 56 59 A E E +i 116 0C 0 59,-2.8 61,-3.1 -2,-0.4 3,-0.2 -0.904 16.1 176.8-112.8 98.3 -53.5 14.6 -16.4 57 60 A P E + 0 0 0 0, 0.0 2,-0.3 0, 0.0 251,-0.1 0.577 68.8 33.1 -79.8 -8.2 -54.5 17.7 -14.4 58 61 A H E + 0 0 0 249,-0.1 252,-2.9 213,-0.1 251,-0.4 -0.788 69.2 132.3-155.2 102.9 -58.2 17.3 -15.0 59 62 A I E -ij 118 310C 0 58,-1.6 60,-2.8 -2,-0.3 2,-0.6 -0.975 43.8-134.6-143.7 159.0 -60.3 14.1 -15.3 60 63 A H >> + 0 0 8 250,-1.3 4,-1.1 -2,-0.3 3,-0.7 -0.844 25.5 171.6-113.7 91.7 -63.5 12.7 -13.8 61 64 A L T 34 S+ 0 0 0 -2,-0.6 -1,-0.1 58,-0.4 43,-0.1 0.720 75.0 62.6 -74.0 -19.3 -62.8 9.1 -12.8 62 65 A D T 34 S+ 0 0 1 57,-0.7 -1,-0.2 1,-0.2 58,-0.1 0.743 113.3 34.1 -77.0 -19.0 -66.1 8.8 -11.0 63 66 A T T X4 S+ 0 0 2 -3,-0.7 3,-1.2 37,-0.1 -2,-0.2 0.565 88.9 124.5-107.4 -12.8 -68.0 9.3 -14.3 64 67 A T T 3< S+ 0 0 0 -4,-1.1 249,-0.2 1,-0.2 250,-0.1 -0.120 74.9 14.6 -56.6 141.8 -65.6 7.6 -16.7 65 68 A Q T 3 S+ 0 0 36 247,-2.1 -1,-0.2 248,-0.2 249,-0.2 0.689 95.8 105.9 70.9 21.0 -66.9 4.8 -18.9 66 69 A T X + 0 0 1 -3,-1.2 3,-2.2 247,-0.6 248,-0.3 0.302 36.6 143.6-112.5 8.1 -70.6 5.6 -18.3 67 70 A A T 3 S+ 0 0 7 246,-1.9 5,-0.1 1,-0.3 247,-0.1 -0.254 73.7 16.4 -52.5 128.5 -71.6 7.2 -21.6 68 71 A G T 3 S+ 0 0 20 3,-0.6 4,-0.3 1,-0.2 -1,-0.3 0.429 88.7 155.7 91.0 0.6 -75.2 6.3 -22.5 69 72 A Q S < S- 0 0 85 -3,-2.2 -1,-0.2 1,-0.2 19,-0.1 -0.920 83.7 -21.5-114.2 117.1 -76.2 5.0 -19.0 70 73 A P S S+ 0 0 67 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.981 143.8 1.3 -84.9 -9.8 -79.1 5.2 -18.6 71 74 A N - 0 0 82 13,-0.2 -3,-0.6 0, 0.0 2,-0.2 -0.934 69.8-111.7-135.2 158.6 -79.5 7.8 -21.3 72 75 A W - 0 0 139 -2,-0.3 2,-1.1 -4,-0.3 3,-0.1 -0.586 30.9-112.3 -86.5 149.3 -77.4 9.6 -23.8 73 76 A N - 0 0 25 -2,-0.2 8,-0.1 1,-0.2 -1,-0.1 -0.737 39.5-178.7 -74.9 101.1 -76.6 13.4 -23.7 74 77 A Q S S+ 0 0 161 -2,-1.1 -1,-0.2 1,-0.2 -2,-0.0 0.873 74.5 44.9 -75.2 -39.1 -78.6 14.3 -26.9 75 78 A S S S- 0 0 46 -3,-0.1 -1,-0.2 2,-0.1 3,-0.1 0.638 96.9-134.1 -82.0 -15.1 -77.8 18.0 -27.0 76 79 A G + 0 0 4 1,-0.2 2,-0.3 239,-0.1 206,-0.1 0.890 58.4 137.2 59.4 40.5 -74.1 17.7 -26.3 77 80 A T > - 0 0 14 1,-0.1 4,-2.1 205,-0.0 -1,-0.2 -0.835 66.7-123.2-115.6 156.7 -74.3 20.5 -23.7 78 81 A L H > S+ 0 0 13 201,-0.4 4,-1.7 -2,-0.3 5,-0.1 0.892 112.0 54.2 -57.1 -40.8 -72.8 20.8 -20.2 79 82 A F H > S+ 0 0 75 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.905 110.7 40.9 -70.0 -44.5 -76.2 21.4 -18.8 80 83 A E H > S+ 0 0 37 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.884 109.8 62.8 -67.1 -36.3 -77.9 18.2 -20.2 81 84 A G H X S+ 0 0 0 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.880 102.1 49.2 -53.2 -41.2 -74.7 16.4 -19.3 82 85 A I H X S+ 0 0 5 -4,-1.7 4,-2.4 2,-0.2 -1,-0.2 0.876 109.8 52.0 -68.8 -35.7 -75.3 17.2 -15.6 83 86 A E H X S+ 0 0 118 -4,-1.3 4,-1.4 2,-0.2 -2,-0.2 0.923 111.1 47.2 -62.1 -46.4 -78.9 16.0 -16.0 84 87 A R H X S+ 0 0 47 -4,-2.9 4,-1.7 1,-0.2 -2,-0.2 0.912 111.7 50.5 -61.0 -45.0 -77.6 12.7 -17.5 85 88 A W H X S+ 0 0 2 -4,-2.5 4,-3.7 1,-0.2 5,-0.3 0.912 103.7 58.3 -61.2 -43.5 -75.0 12.3 -14.7 86 89 A A H X S+ 0 0 37 -4,-2.4 4,-1.2 1,-0.2 -1,-0.2 0.876 106.6 49.9 -54.9 -38.2 -77.6 12.9 -12.0 87 90 A E H < S+ 0 0 66 -4,-1.4 -1,-0.2 -3,-0.2 -2,-0.2 0.906 115.5 42.0 -64.4 -43.0 -79.5 9.9 -13.4 88 91 A R H >< S+ 0 0 18 -4,-1.7 3,-1.8 1,-0.2 4,-0.4 0.851 106.9 61.3 -74.3 -35.1 -76.3 7.8 -13.4 89 92 A K H >< S+ 0 0 19 -4,-3.7 3,-0.9 1,-0.3 -1,-0.2 0.817 95.9 61.8 -62.4 -30.6 -75.2 9.0 -10.0 90 93 A A T 3< S+ 0 0 85 -4,-1.2 -1,-0.3 -5,-0.3 -2,-0.2 0.655 107.4 45.5 -67.0 -14.6 -78.4 7.6 -8.5 91 94 A L T < S+ 0 0 101 -3,-1.8 -1,-0.2 -4,-0.2 -2,-0.2 0.393 84.7 128.5-108.9 -1.7 -77.1 4.1 -9.6 92 95 A L < - 0 0 20 -3,-0.9 2,-0.3 -4,-0.4 3,-0.1 -0.255 33.8-176.0 -56.6 137.8 -73.5 4.5 -8.4 93 96 A T > - 0 0 73 1,-0.1 4,-2.6 35,-0.0 5,-0.2 -0.939 38.0-112.0-128.5 161.5 -72.1 1.7 -6.3 94 97 A H H > S+ 0 0 77 -2,-0.3 4,-2.0 1,-0.2 5,-0.2 0.928 119.5 42.4 -49.9 -53.3 -68.8 1.3 -4.5 95 98 A D H > S+ 0 0 117 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.868 110.9 56.7 -67.1 -38.5 -67.7 -1.5 -6.8 96 99 A D H > S+ 0 0 28 2,-0.2 4,-2.2 1,-0.2 5,-0.3 0.956 109.4 45.6 -54.9 -54.9 -69.0 0.3 -10.0 97 100 A V H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 5,-0.3 0.923 114.1 47.4 -57.8 -47.1 -66.9 3.3 -9.3 98 101 A K H X S+ 0 0 33 -4,-2.0 4,-2.2 -5,-0.2 -1,-0.2 0.880 111.6 50.7 -66.3 -35.6 -63.7 1.4 -8.5 99 102 A Q H X S+ 0 0 116 -4,-2.3 4,-1.7 2,-0.2 -1,-0.2 0.948 115.7 40.5 -66.9 -48.1 -64.0 -0.8 -11.6 100 103 A R H X S+ 0 0 7 -4,-2.2 4,-1.9 2,-0.2 5,-0.2 0.909 114.3 52.2 -69.2 -44.1 -64.5 2.1 -14.0 101 104 A A H X S+ 0 0 0 -4,-2.6 4,-2.5 -5,-0.3 -1,-0.2 0.934 111.0 48.3 -56.6 -48.0 -61.9 4.3 -12.4 102 105 A W H X S+ 0 0 50 -4,-2.2 4,-2.3 -5,-0.3 -1,-0.2 0.851 105.4 58.4 -63.0 -34.3 -59.3 1.5 -12.6 103 106 A Q H X S+ 0 0 75 -4,-1.7 4,-1.5 2,-0.2 -1,-0.2 0.950 112.1 40.2 -60.8 -47.5 -60.2 0.8 -16.3 104 107 A T H X S+ 0 0 0 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.894 111.2 57.5 -68.8 -38.1 -59.3 4.4 -17.2 105 108 A L H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.892 104.2 53.0 -59.9 -38.7 -56.3 4.4 -14.8 106 109 A K H X S+ 0 0 126 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.917 107.8 50.2 -64.6 -40.8 -54.8 1.4 -16.7 107 110 A W H X S+ 0 0 83 -4,-1.5 4,-1.2 1,-0.2 -1,-0.2 0.916 111.1 51.0 -58.7 -42.8 -55.2 3.2 -20.0 108 111 A Q H <>S+ 0 0 0 -4,-2.4 5,-2.4 2,-0.2 3,-0.3 0.911 107.9 50.2 -62.5 -44.1 -53.4 6.2 -18.4 109 112 A I H ><5S+ 0 0 21 -4,-2.6 3,-1.7 1,-0.2 -1,-0.2 0.936 109.8 51.8 -58.4 -44.0 -50.5 4.0 -17.1 110 113 A A H 3<5S+ 0 0 43 -4,-2.3 281,-0.4 1,-0.3 -1,-0.2 0.772 107.6 54.8 -61.6 -26.8 -50.2 2.6 -20.6 111 114 A N T 3<5S- 0 0 28 -4,-1.2 -1,-0.3 -3,-0.3 213,-0.3 0.125 120.8-105.3 -97.1 18.5 -50.0 6.2 -21.9 112 115 A G T < 5S+ 0 0 1 -3,-1.7 -58,-1.8 1,-0.2 2,-0.6 0.683 70.5 145.7 69.7 20.8 -47.1 7.2 -19.7 113 116 A I E < +i 54 0C 1 -5,-2.4 -1,-0.2 -60,-0.2 -58,-0.2 -0.815 13.3 163.1 -93.0 119.0 -49.3 9.3 -17.2 114 117 A Q E + 0 0 0 -60,-1.6 31,-2.7 -2,-0.6 2,-0.4 0.387 63.0 55.3-115.1 -0.5 -47.9 9.0 -13.7 115 118 A H E +ik 55 145C 8 -61,-0.9 -59,-2.8 29,-0.2 2,-0.4 -0.984 63.4 173.0-137.3 124.3 -49.7 12.0 -12.1 116 119 A V E -ik 56 146C 0 29,-2.1 31,-3.1 -2,-0.4 2,-0.6 -0.995 20.6-160.5-136.7 131.1 -53.5 12.4 -12.2 117 120 A R E - 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