==== 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/HYDROLASE INHIBITOR 31-JUL-10 3O7U . COMPND 2 MOLECULE: CYTOSINE DEAMINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR A.A.FEDOROV,E.V.FEDOROV,R.S.HALL,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) . 17590.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 300 71.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 43 10.2 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 . 45 10.7 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 2 2 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 2 3 1 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 0 118 0, 0.0 2,-0.2 0, 0.0 398,-0.1 0.000 360.0 360.0 360.0 87.7 -32.4 -3.8 -11.8 2 5 A L + 0 0 43 396,-0.6 40,-0.2 1,-0.2 3,-0.1 -0.480 360.0 170.6 -67.8 129.8 -31.9 -1.0 -14.3 3 6 A Q + 0 0 105 38,-3.3 18,-3.1 1,-0.3 2,-0.3 0.602 63.0 21.9-109.9 -20.5 -28.6 1.0 -13.8 4 7 A T E -Ab 20 42A 14 37,-1.5 39,-2.9 16,-0.2 2,-0.5 -1.000 50.7-149.6-152.4 144.2 -28.7 3.0 -17.0 5 8 A I E -Ab 19 43A 0 14,-2.4 14,-3.0 -2,-0.3 2,-0.3 -0.985 34.0-165.5-107.3 126.2 -30.7 4.4 -19.8 6 9 A I E + b 0 44A 0 37,-2.7 39,-3.0 -2,-0.5 40,-0.4 -0.791 54.3 21.2-115.2 156.6 -28.6 4.7 -23.0 7 10 A N E S+ 0 0 3 -2,-0.3 40,-2.4 1,-0.2 41,-0.4 0.921 80.3 160.9 63.1 49.1 -28.9 6.4 -26.4 8 11 A A E -A 17 0A 0 9,-2.2 9,-1.8 -3,-0.2 2,-0.3 -0.827 33.2-147.0-107.8 138.3 -31.4 9.0 -25.2 9 12 A R B -e 49 0B 78 39,-2.8 41,-2.7 -2,-0.4 7,-0.1 -0.770 13.7-156.1 -92.3 150.1 -32.3 12.3 -26.8 10 13 A L > - 0 0 25 5,-0.4 3,-2.1 -2,-0.3 41,-0.1 -0.985 29.8 -97.2-126.5 137.7 -33.3 15.2 -24.5 11 14 A P T 3 S+ 0 0 75 0, 0.0 3,-0.1 0, 0.0 369,-0.1 -0.256 108.3 7.1 -53.3 130.9 -35.4 18.2 -25.6 12 15 A G T 3 S+ 0 0 73 1,-0.2 2,-0.3 0, 0.0 368,-0.0 0.584 109.7 107.4 74.0 10.9 -33.3 21.2 -26.5 13 16 A E < - 0 0 106 -3,-2.1 -3,-0.3 2,-0.1 -1,-0.2 -0.907 65.0-123.1-122.2 151.2 -30.1 19.2 -26.3 14 17 A E - 0 0 157 -2,-0.3 -4,-0.0 -3,-0.1 0, 0.0 -0.572 64.9 -8.8 -90.5 152.0 -27.7 17.9 -29.0 15 18 A G S S- 0 0 52 -2,-0.2 -5,-0.4 16,-0.1 2,-0.2 -0.022 96.2 -38.5 66.8-164.2 -26.6 14.3 -29.5 16 19 A L - 0 0 18 16,-0.3 16,-2.6 -7,-0.1 2,-0.3 -0.629 51.1-156.4-103.8 159.5 -27.3 11.3 -27.3 17 20 A W E -AC 8 31A 45 -9,-1.8 -9,-2.2 14,-0.3 2,-0.5 -0.960 11.3-141.6-139.0 149.7 -27.2 11.0 -23.5 18 21 A Q E - C 0 30A 38 12,-3.1 12,-2.4 -2,-0.3 2,-0.6 -0.937 14.8-156.5-112.2 131.3 -26.8 8.4 -20.9 19 22 A I E -AC 5 29A 0 -14,-3.0 -14,-2.4 -2,-0.5 2,-0.4 -0.933 8.6-150.8-114.2 115.1 -28.9 8.5 -17.7 20 23 A H E -AC 4 28A 50 8,-3.2 7,-3.0 -2,-0.6 8,-1.0 -0.682 9.3-158.0 -90.0 133.6 -27.5 6.8 -14.6 21 24 A L E + C 0 26A 15 -18,-3.1 2,-0.3 -2,-0.4 5,-0.2 -0.841 15.3 169.8-112.1 146.2 -29.9 5.3 -12.1 22 25 A Q E > - C 0 25A 127 3,-2.5 3,-1.3 -2,-0.3 -19,-0.1 -0.875 69.3 -13.9-158.3 119.5 -29.2 4.5 -8.4 23 26 A D T 3 S- 0 0 155 -2,-0.3 3,-0.1 1,-0.3 375,-0.1 0.886 127.7 -51.6 55.8 43.2 -31.7 3.5 -5.7 24 27 A G T 3 S+ 0 0 25 1,-0.2 347,-2.7 346,-0.1 2,-0.3 0.611 121.5 100.3 72.1 13.1 -34.7 4.5 -7.8 25 28 A K E < S-CD 22 370A 114 -3,-1.3 -3,-2.5 345,-0.3 2,-0.6 -0.833 81.7-102.9-125.4 163.1 -33.2 8.0 -8.5 26 29 A I E +C 21 0A 3 343,-2.9 342,-3.3 340,-0.3 -5,-0.2 -0.787 36.6 176.4 -83.0 119.1 -31.4 9.7 -11.3 27 30 A S E - 0 0 48 -7,-3.0 2,-0.3 -2,-0.6 -6,-0.2 0.846 60.3 -8.3 -93.8 -39.3 -27.7 9.8 -10.2 28 31 A A E -C 20 0A 32 -8,-1.0 -8,-3.2 338,-0.1 2,-0.5 -0.994 46.8-149.7-158.5 152.6 -26.2 11.4 -13.3 29 32 A I E +C 19 0A 47 -2,-0.3 2,-0.4 -10,-0.2 -10,-0.2 -0.971 27.0 178.0-126.6 115.3 -26.8 12.5 -16.9 30 33 A D E -C 18 0A 74 -12,-2.4 -12,-3.1 -2,-0.5 -2,-0.0 -0.947 29.8-115.1-125.4 137.9 -23.8 12.4 -19.2 31 34 A A E -C 17 0A 67 -2,-0.4 2,-0.3 -14,-0.2 -14,-0.3 -0.335 30.9-134.0 -62.1 145.0 -23.4 13.1 -22.9 32 35 A Q - 0 0 25 -16,-2.6 -16,-0.3 1,-0.1 3,-0.1 -0.744 5.5-143.2 -98.9 152.8 -22.4 10.2 -25.1 33 36 A S S S- 0 0 144 -2,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.736 79.7 -29.7 -83.9 -25.0 -19.7 10.3 -27.7 34 37 A G S S- 0 0 34 -19,-0.0 2,-0.4 -3,-0.0 -27,-0.2 -0.918 96.7 -37.3-165.7-169.2 -21.8 8.1 -30.0 35 38 A V - 0 0 95 -2,-0.3 -29,-0.0 -3,-0.1 -2,-0.0 -0.557 62.0-142.7 -67.7 123.7 -24.4 5.3 -30.2 36 39 A M - 0 0 54 -2,-0.4 2,-0.2 1,-0.1 3,-0.1 -0.631 11.3-116.2 -91.4 147.8 -23.7 2.9 -27.3 37 40 A P - 0 0 103 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.522 40.4 -94.9 -78.4 148.5 -24.1 -0.9 -27.5 38 41 A I - 0 0 103 -2,-0.2 2,-0.3 6,-0.0 5,-0.0 -0.387 47.5-177.6 -66.8 136.1 -26.7 -2.5 -25.3 39 42 A T > - 0 0 61 -2,-0.1 3,-1.4 -3,-0.1 5,-0.0 -0.886 36.0 -80.4-129.4 162.4 -25.4 -3.9 -22.0 40 43 A E T 3 S+ 0 0 151 -2,-0.3 3,-0.1 1,-0.3 -37,-0.1 -0.275 116.9 22.4 -59.6 148.2 -26.9 -5.8 -19.1 41 44 A N T 3 S+ 0 0 71 1,-0.2 -38,-3.3 -39,-0.1 -37,-1.5 0.665 103.5 116.1 64.6 15.5 -28.9 -3.6 -16.6 42 45 A S E < -b 4 0A 19 -3,-1.4 2,-0.5 -39,-0.2 -1,-0.2 -0.920 56.7-148.5-114.6 144.3 -29.3 -1.0 -19.4 43 46 A L E -b 5 0A 16 -39,-2.9 -37,-2.7 -2,-0.4 2,-0.7 -0.958 18.3-139.4-107.8 123.3 -32.4 0.2 -21.1 44 47 A D E -b 6 0A 39 -2,-0.5 -37,-0.2 -39,-0.2 -39,-0.1 -0.741 14.6-170.4 -86.4 114.1 -31.9 1.2 -24.7 45 48 A A > - 0 0 3 -39,-3.0 3,-2.0 -2,-0.7 -38,-0.2 0.559 30.6-140.1 -77.8 -9.3 -33.9 4.4 -25.6 46 49 A E T 3 - 0 0 98 -40,-0.4 -39,-0.1 1,-0.3 -38,-0.1 0.822 65.5 -56.5 55.6 35.7 -33.0 3.7 -29.2 47 50 A Q T 3 S+ 0 0 88 -40,-2.4 -1,-0.3 -41,-0.3 -39,-0.2 0.723 104.3 143.2 66.9 23.0 -32.3 7.3 -29.8 48 51 A G < - 0 0 3 -3,-2.0 -39,-2.8 -41,-0.4 2,-0.4 -0.362 58.2 -89.3 -84.0 171.0 -35.9 8.1 -28.7 49 52 A L E -eF 9 376B 3 327,-2.1 327,-2.9 329,-0.5 2,-0.5 -0.685 34.6-153.5 -88.7 131.6 -36.9 11.2 -26.7 50 53 A V E + F 0 375B 1 -41,-2.7 325,-0.2 -2,-0.4 315,-0.1 -0.916 26.2 154.7-107.5 124.3 -36.7 11.0 -22.9 51 54 A I E - F 0 374B 6 323,-1.9 323,-2.9 -2,-0.5 3,-0.1 -0.899 49.0 -86.6-137.6 162.6 -39.0 13.3 -20.9 52 55 A P - 0 0 4 0, 0.0 321,-0.2 0, 0.0 300,-0.1 -0.276 69.5 -73.2 -64.7 164.8 -40.6 13.3 -17.5 53 56 A P - 0 0 1 0, 0.0 60,-0.2 0, 0.0 59,-0.1 -0.167 52.0 -98.7 -64.2 154.4 -43.9 11.4 -17.4 54 57 A F E -i 113 0C 5 58,-1.9 60,-1.7 57,-0.1 61,-0.9 -0.344 38.1-145.3 -62.1 151.3 -47.1 12.8 -18.9 55 58 A V E -i 115 0C 0 295,-2.0 61,-0.2 58,-0.2 299,-0.1 -0.946 11.4-155.4-121.8 141.3 -49.5 14.5 -16.4 56 59 A E E +i 116 0C 0 59,-2.8 61,-3.0 -2,-0.4 3,-0.2 -0.901 15.6 177.2-113.5 98.1 -53.3 14.5 -16.5 57 60 A P E + 0 0 0 0, 0.0 2,-0.3 0, 0.0 251,-0.1 0.581 69.0 31.9 -79.9 -6.6 -54.2 17.6 -14.6 58 61 A H E + 0 0 0 249,-0.1 252,-2.9 213,-0.1 251,-0.4 -0.772 69.3 131.0-158.3 102.1 -58.0 17.2 -15.1 59 62 A I E -ij 118 310C 0 58,-1.6 60,-2.8 -2,-0.3 2,-0.6 -0.965 44.5-132.4-145.5 161.0 -60.1 14.1 -15.4 60 63 A H >> + 0 0 7 250,-1.1 4,-1.0 -2,-0.3 3,-0.7 -0.837 25.4 172.4-116.8 91.0 -63.3 12.7 -13.9 61 64 A L T 34 S+ 0 0 0 -2,-0.6 -1,-0.1 58,-0.4 43,-0.1 0.733 75.7 61.6 -74.4 -18.9 -62.6 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 0.740 112.8 35.5 -76.7 -19.7 -65.9 8.7 -11.1 63 66 A T T X4 S+ 0 0 2 -3,-0.7 3,-1.1 37,-0.1 -2,-0.2 0.561 89.0 124.9-105.6 -13.1 -67.8 9.3 -14.3 64 67 A T T 3< S+ 0 0 0 -4,-1.0 249,-0.2 1,-0.2 250,-0.1 -0.102 74.1 13.3 -56.7 142.7 -65.5 7.6 -16.7 65 68 A Q T 3 S+ 0 0 22 247,-2.2 -1,-0.2 1,-0.1 249,-0.2 0.698 95.1 106.9 69.2 22.4 -66.9 4.8 -19.0 66 69 A T X + 0 0 1 -3,-1.1 3,-2.3 247,-0.6 248,-0.3 0.294 36.1 142.8-112.2 9.1 -70.5 5.6 -18.3 67 70 A A T 3 S+ 0 0 7 246,-2.0 5,-0.1 1,-0.3 247,-0.1 -0.257 74.8 15.2 -55.1 133.6 -71.6 7.2 -21.6 68 71 A G T 3 S+ 0 0 20 3,-0.6 -1,-0.3 1,-0.2 4,-0.3 0.426 89.1 156.4 85.4 -0.2 -75.1 6.2 -22.5 69 72 A Q S < S- 0 0 83 -3,-2.3 -1,-0.2 1,-0.2 19,-0.1 -0.902 84.8 -23.6-110.9 114.4 -76.0 4.9 -19.0 70 73 A P S S+ 0 0 71 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.974 144.1 5.0 -84.1 -12.3 -79.0 5.0 -18.6 71 74 A N S S- 0 0 83 13,-0.2 -3,-0.6 -2,-0.0 2,-0.3 -0.900 70.0-114.1-130.1 160.0 -79.3 7.8 -21.3 72 75 A W - 0 0 134 -2,-0.3 2,-1.2 -4,-0.3 3,-0.1 -0.642 30.5-111.6 -89.7 148.6 -77.2 9.6 -23.8 73 76 A N - 0 0 25 -2,-0.3 3,-0.2 1,-0.2 8,-0.1 -0.687 39.9-178.2 -73.6 95.3 -76.4 13.4 -23.8 74 77 A Q S S+ 0 0 165 -2,-1.2 -1,-0.2 1,-0.2 7,-0.0 0.866 74.5 43.9 -69.1 -40.5 -78.4 14.3 -26.9 75 78 A S S S- 0 0 47 -3,-0.1 -1,-0.2 2,-0.1 3,-0.1 0.627 97.5-132.4 -83.2 -15.5 -77.6 18.0 -27.1 76 79 A G + 0 0 4 -3,-0.2 2,-0.3 1,-0.2 206,-0.1 0.848 58.9 138.5 63.3 35.8 -73.9 17.6 -26.4 77 80 A T > - 0 0 13 1,-0.1 4,-2.1 205,-0.1 -1,-0.2 -0.774 66.5-122.4-110.5 157.4 -74.0 20.4 -23.8 78 81 A L H > S+ 0 0 10 201,-0.4 4,-2.0 -2,-0.3 5,-0.1 0.919 112.5 52.3 -53.0 -46.3 -72.4 20.8 -20.4 79 82 A F H > S+ 0 0 69 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.879 110.4 43.5 -69.4 -42.3 -75.9 21.3 -18.8 80 83 A E H > S+ 0 0 36 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.873 109.3 60.7 -68.5 -34.3 -77.5 18.1 -20.3 81 84 A G H X S+ 0 0 0 -4,-2.1 4,-2.7 1,-0.2 -2,-0.2 0.917 103.7 49.6 -54.7 -44.5 -74.3 16.3 -19.3 82 85 A I H X S+ 0 0 3 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.898 110.7 49.7 -64.0 -39.9 -74.9 17.2 -15.7 83 86 A E H X S+ 0 0 112 -4,-1.5 4,-1.4 2,-0.2 -2,-0.2 0.888 112.0 47.9 -63.4 -41.7 -78.6 15.9 -15.9 84 87 A R H X S+ 0 0 46 -4,-2.7 4,-1.7 1,-0.2 -2,-0.2 0.908 111.6 50.6 -66.8 -41.4 -77.4 12.7 -17.5 85 88 A W H X S+ 0 0 1 -4,-2.7 4,-3.4 -5,-0.2 5,-0.2 0.899 103.7 58.3 -63.1 -40.2 -74.8 12.2 -14.8 86 89 A A H X S+ 0 0 34 -4,-2.3 4,-1.3 1,-0.2 -1,-0.2 0.900 106.1 50.1 -57.7 -39.5 -77.3 12.9 -12.1 87 90 A E H < S+ 0 0 68 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.896 115.4 42.4 -62.1 -41.4 -79.3 9.9 -13.4 88 91 A R H >< S+ 0 0 20 -4,-1.7 3,-1.7 1,-0.2 4,-0.4 0.847 106.4 61.3 -76.0 -33.8 -76.1 7.7 -13.4 89 92 A K H >< S+ 0 0 20 -4,-3.4 3,-1.1 1,-0.3 -1,-0.2 0.839 96.5 61.5 -61.7 -32.7 -75.0 9.0 -10.0 90 93 A A T 3< S+ 0 0 85 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.661 106.4 46.8 -66.3 -14.9 -78.2 7.6 -8.5 91 94 A L T < S+ 0 0 104 -3,-1.7 -1,-0.2 -4,-0.2 -2,-0.2 0.397 85.3 128.0-106.7 -0.9 -77.0 4.1 -9.7 92 95 A L < - 0 0 21 -3,-1.1 2,-0.3 -4,-0.4 36,-0.1 -0.227 33.0-177.7 -58.6 141.4 -73.4 4.4 -8.4 93 96 A T > - 0 0 74 1,-0.1 4,-2.5 35,-0.0 5,-0.2 -0.940 39.4-109.9-131.0 163.6 -71.9 1.7 -6.2 94 97 A H H > S+ 0 0 79 -2,-0.3 4,-2.0 1,-0.2 5,-0.2 0.911 119.9 42.2 -50.0 -50.9 -68.6 1.3 -4.5 95 98 A D H > S+ 0 0 116 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.864 110.9 56.4 -71.0 -36.5 -67.5 -1.6 -6.9 96 99 A D H > S+ 0 0 25 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.947 109.8 45.4 -58.8 -50.2 -68.9 0.2 -10.0 97 100 A V H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 5,-0.3 0.933 114.4 47.2 -60.7 -47.2 -66.8 3.3 -9.3 98 101 A K H X S+ 0 0 34 -4,-2.0 4,-2.1 -5,-0.2 -1,-0.2 0.883 112.0 50.6 -66.3 -36.0 -63.6 1.3 -8.5 99 102 A Q H X S+ 0 0 114 -4,-2.4 4,-1.7 2,-0.2 -1,-0.2 0.937 114.8 41.8 -67.0 -46.5 -63.9 -0.9 -11.6 100 103 A R H X S+ 0 0 6 -4,-2.2 4,-1.9 -5,-0.2 5,-0.2 0.910 114.1 51.7 -68.9 -42.8 -64.5 2.0 -14.0 101 104 A A H X S+ 0 0 0 -4,-2.6 4,-2.8 -5,-0.2 -1,-0.2 0.929 111.0 48.2 -59.0 -45.6 -61.8 4.2 -12.5 102 105 A W H X S+ 0 0 51 -4,-2.1 4,-2.2 -5,-0.3 -1,-0.2 0.855 105.2 59.3 -65.7 -33.9 -59.2 1.3 -12.7 103 106 A Q H X S+ 0 0 72 -4,-1.7 4,-1.4 2,-0.2 -1,-0.2 0.959 113.1 38.0 -56.9 -50.6 -60.2 0.7 -16.3 104 107 A T H X S+ 0 0 0 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.892 111.8 58.1 -70.4 -39.3 -59.2 4.2 -17.3 105 108 A L H X S+ 0 0 0 -4,-2.8 4,-2.6 1,-0.2 -1,-0.2 0.891 103.6 53.8 -57.6 -38.2 -56.2 4.3 -14.9 106 109 A K H X S+ 0 0 134 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.914 107.2 50.2 -64.7 -41.4 -54.7 1.3 -16.7 107 110 A W H X S+ 0 0 85 -4,-1.4 4,-1.1 1,-0.2 -1,-0.2 0.912 110.5 51.8 -58.3 -42.6 -55.0 3.1 -20.1 108 111 A Q H <>S+ 0 0 0 -4,-2.3 5,-2.3 2,-0.2 3,-0.5 0.917 107.7 50.0 -62.6 -43.9 -53.3 6.0 -18.4 109 112 A I H ><5S+ 0 0 20 -4,-2.6 3,-1.7 1,-0.2 -1,-0.2 0.936 109.8 51.9 -57.6 -44.9 -50.4 3.9 -17.2 110 113 A A H 3<5S+ 0 0 45 -4,-2.3 281,-0.4 1,-0.3 -1,-0.2 0.743 107.4 55.1 -61.4 -24.3 -50.1 2.4 -20.7 111 114 A N T 3<5S- 0 0 28 -4,-1.1 -1,-0.3 -3,-0.5 213,-0.3 0.152 120.7-104.1 -99.5 16.7 -49.9 6.0 -22.0 112 115 A G T < 5S+ 0 0 1 -3,-1.7 -58,-1.9 1,-0.2 2,-0.6 0.681 71.5 144.6 73.7 19.3 -47.0 7.1 -19.8 113 116 A I E < +i 54 0C 1 -5,-2.3 -1,-0.2 -60,-0.2 -58,-0.2 -0.824 13.6 162.6 -94.2 119.3 -49.1 9.1 -17.4 114 117 A Q E + 0 0 0 -60,-1.7 31,-2.7 -2,-0.6 2,-0.4 0.394 63.2 55.6-115.3 -1.2 -47.7 8.9 -13.8 115 118 A H E +ik 55 145C 7 -61,-0.9 -59,-2.8 29,-0.2 2,-0.4 -0.991 63.2 172.8-136.9 125.6 -49.5 11.9 -12.3 116 119 A V E -ik 56 146C 0 29,-2.0 31,-3.2 -2,-0.4 2,-0.6 -0.998 20.6-160.6-138.8 129.6 -53.3 12.3 -12.3 117 120 A R E - 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