==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 31-JUL-06 2HVW . COMPND 2 MOLECULE: DEOXYCYTIDYLATE DEAMINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS MUTANS; . AUTHOR H.F.HOU,Z.Q.GAO,L.F.LI,Y.H.LIANG,X.D.SU,Y.H.DONG . 439 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19824.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 298 67.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 40 9.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 60 13.7 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 . 6 1.4 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 . 30 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 113 25.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 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 3 0 0 0 0 1 5 0 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 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 PARALLEL BRIDGES PER LADDER . 1 5 1 3 0 3 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 . 6 0 0 3 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 3 A N 0 0 211 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 6.1 6.8 26.3 21.0 2 4 A R - 0 0 231 1,-0.1 2,-0.2 0, 0.0 0, 0.0 -0.286 360.0 -85.5 -52.7 147.3 4.9 23.2 22.2 3 5 A L - 0 0 67 4,-0.1 -1,-0.1 1,-0.1 2,-0.0 -0.434 44.6-129.3 -60.4 126.2 6.2 21.9 25.5 4 6 A S > - 0 0 55 -2,-0.2 4,-3.2 -3,-0.1 5,-0.2 -0.258 29.2-101.7 -63.0 163.9 9.1 19.6 25.0 5 7 A W H > S+ 0 0 134 1,-0.2 4,-2.6 2,-0.2 5,-0.3 0.925 125.2 51.2 -55.1 -46.6 8.9 16.2 26.8 6 8 A Q H > S+ 0 0 58 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.919 114.5 42.1 -56.6 -47.7 11.3 17.4 29.5 7 9 A D H > S+ 0 0 43 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.897 112.4 55.5 -66.5 -41.3 9.2 20.6 30.1 8 10 A Y H X S+ 0 0 119 -4,-3.2 4,-1.8 1,-0.2 -2,-0.2 0.924 114.1 38.4 -56.1 -48.0 5.9 18.6 29.9 9 11 A F H X S+ 0 0 1 -4,-2.6 4,-2.6 2,-0.2 -1,-0.2 0.853 114.9 51.8 -81.0 -32.9 6.9 16.2 32.6 10 12 A M H X S+ 0 0 0 -4,-2.1 4,-2.3 -5,-0.3 -2,-0.2 0.910 110.5 50.3 -66.6 -41.0 8.7 18.7 34.8 11 13 A A H X S+ 0 0 21 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.933 110.6 50.7 -56.0 -44.9 5.5 20.9 34.6 12 14 A N H X S+ 0 0 46 -4,-1.8 4,-3.2 -5,-0.2 -2,-0.2 0.936 106.8 52.8 -61.9 -44.5 3.6 17.8 35.6 13 15 A A H X S+ 0 0 0 -4,-2.6 4,-1.8 1,-0.2 -1,-0.2 0.918 110.5 48.5 -57.5 -44.9 5.8 17.1 38.6 14 16 A E H < S+ 0 0 72 -4,-2.3 4,-0.4 2,-0.2 -1,-0.2 0.921 111.7 48.3 -62.7 -42.4 5.3 20.6 39.9 15 17 A L H >< S+ 0 0 92 -4,-2.5 3,-1.9 1,-0.2 -2,-0.2 0.941 109.3 54.0 -61.0 -43.3 1.5 20.4 39.4 16 18 A I H >< S+ 0 0 36 -4,-3.2 3,-1.1 1,-0.3 -1,-0.2 0.851 100.6 61.4 -59.1 -34.7 1.6 17.0 41.3 17 19 A S G >< S+ 0 0 8 -4,-1.8 3,-2.1 1,-0.2 -1,-0.3 0.611 79.7 88.7 -66.3 -14.1 3.4 18.8 44.2 18 20 A K G < S+ 0 0 151 -3,-1.9 -1,-0.2 -4,-0.4 -2,-0.2 0.666 85.4 51.7 -66.0 -14.9 0.4 21.1 44.7 19 21 A R G < S+ 0 0 175 -3,-1.1 -1,-0.3 -4,-0.2 -2,-0.1 0.371 78.4 134.8 -99.6 6.0 -1.2 18.6 47.1 20 22 A S < - 0 0 10 -3,-2.1 24,-0.2 1,-0.1 6,-0.1 -0.253 39.6-163.3 -54.0 139.4 1.9 18.2 49.3 21 23 A T + 0 0 19 22,-1.9 32,-1.5 1,-0.1 2,-0.4 0.005 67.3 78.5-118.6 25.2 1.0 18.4 53.0 22 24 A C > - 0 0 4 21,-0.3 3,-1.7 3,-0.2 5,-0.2 -0.896 62.5-159.8-134.6 106.6 4.5 19.1 54.4 23 25 A N T 3 S+ 0 0 99 -2,-0.4 3,-0.2 1,-0.3 -1,-0.1 0.462 78.4 84.5 -72.9 -0.9 5.6 22.7 54.1 24 26 A R T 3 S- 0 0 94 1,-0.3 -1,-0.3 40,-0.0 2,-0.2 0.829 117.8 -11.9 -64.3 -31.0 9.3 22.0 54.5 25 27 A A < - 0 0 13 -3,-1.7 2,-1.1 18,-0.1 -1,-0.3 -0.786 63.8-136.4-169.8 124.0 9.2 21.2 50.7 26 28 A Y - 0 0 131 -2,-0.2 2,-0.4 -3,-0.2 -9,-0.1 -0.768 37.8-172.4 -85.3 100.8 6.3 20.7 48.3 27 29 A V + 0 0 15 -2,-1.1 16,-1.3 -5,-0.2 2,-0.3 -0.814 14.6 178.0-107.6 136.2 7.5 17.7 46.4 28 30 A G E -A 42 0A 0 -2,-0.4 65,-2.3 14,-0.2 2,-0.4 -0.986 5.1-169.8-133.1 143.6 6.0 16.1 43.4 29 31 A A E -AB 41 92A 0 12,-2.6 12,-2.1 -2,-0.3 2,-0.4 -0.994 7.1-166.9-137.3 140.4 7.2 13.1 41.3 30 32 A V E -AB 40 91A 0 61,-2.7 61,-2.3 -2,-0.4 2,-0.5 -0.995 12.9-149.3-129.0 122.5 6.1 11.7 38.0 31 33 A L E -AB 39 90A 0 8,-3.0 7,-2.6 -2,-0.4 8,-1.1 -0.832 19.7-167.6 -96.4 128.4 7.3 8.2 36.9 32 34 A V E -AB 37 89A 1 57,-3.2 57,-2.7 -2,-0.5 2,-0.4 -0.936 17.5-175.5-125.2 135.9 7.6 7.8 33.1 33 35 A K E > S-A 36 0A 54 3,-2.5 3,-1.8 -2,-0.4 55,-0.1 -0.991 82.6 -17.7-129.1 120.7 8.1 4.8 30.8 34 36 A N T 3 S- 0 0 146 -2,-0.4 -1,-0.1 53,-0.3 3,-0.1 0.898 128.5 -53.4 49.4 46.2 8.6 5.5 27.0 35 37 A N T 3 S+ 0 0 52 1,-0.2 2,-0.4 54,-0.0 -1,-0.3 0.669 114.8 118.4 61.4 21.4 7.2 9.0 27.5 36 38 A R E < -A 33 0A 184 -3,-1.8 -3,-2.5 0, 0.0 2,-0.5 -0.942 67.3-123.3-111.0 139.5 4.0 7.7 29.2 37 39 A I E +A 32 0A 73 -2,-0.4 -5,-0.2 -5,-0.2 3,-0.1 -0.690 36.2 165.3 -80.2 124.9 3.0 8.6 32.8 38 40 A I E + 0 0 40 -7,-2.6 2,-0.3 -2,-0.5 -6,-0.2 0.587 62.7 1.3-114.1 -16.9 2.6 5.4 34.8 39 41 A A E -A 31 0A 2 -8,-1.1 -8,-3.0 2,-0.0 -1,-0.4 -0.973 56.1-167.4-165.2 156.4 2.6 6.8 38.4 40 42 A T E -A 30 0A 46 -2,-0.3 2,-0.3 -10,-0.2 -10,-0.2 -0.936 7.4-178.3-142.0 167.9 2.8 10.0 40.4 41 43 A G E -A 29 0A 5 -12,-2.1 -12,-2.6 -2,-0.3 2,-0.3 -0.972 12.3-163.8-165.6 149.4 3.4 11.0 44.0 42 44 A Y E -A 28 0A 72 -2,-0.3 2,-0.4 -14,-0.2 -14,-0.2 -0.891 40.1 -93.3-125.7 165.4 3.6 13.9 46.4 43 45 A N + 0 0 9 -16,-1.3 -22,-1.9 -2,-0.3 -21,-0.3 -0.667 65.6 123.0 -83.1 130.5 5.0 14.1 50.0 44 46 A G E -E 68 0B 4 24,-1.6 24,-3.1 -2,-0.4 3,-0.1 -0.960 61.0 -66.3-169.1 171.8 2.4 13.5 52.7 45 47 A G E S-E 67 0B 8 -2,-0.3 22,-0.2 22,-0.3 3,-0.1 -0.105 71.3 -71.2 -63.4 165.7 1.7 11.3 55.7 46 48 A V S > S- 0 0 1 20,-0.5 3,-2.0 4,-0.2 -1,-0.2 -0.332 73.9 -82.5 -51.0 139.2 0.9 7.6 55.3 47 49 A A T 3 S+ 0 0 43 1,-0.3 -1,-0.1 -3,-0.1 3,-0.1 -0.219 117.3 14.8 -51.2 136.1 -2.6 7.3 53.8 48 50 A D T 3 S+ 0 0 143 1,-0.3 -1,-0.3 -3,-0.1 2,-0.2 0.607 111.2 98.7 73.1 12.0 -5.4 7.7 56.4 49 51 A T S < S- 0 0 15 -3,-2.0 -1,-0.3 1,-0.1 -4,-0.1 -0.700 84.1 -66.5-118.6 178.8 -2.9 9.1 59.0 50 52 A D - 0 0 67 -2,-0.2 2,-0.3 -3,-0.1 -4,-0.2 -0.292 42.9-143.9 -71.2 145.8 -2.1 12.6 60.1 51 53 A N >> - 0 0 45 -6,-0.1 4,-2.2 -7,-0.1 3,-1.5 -0.812 22.8-117.9-105.3 153.3 -0.4 15.2 57.8 52 54 A C H 3> S+ 0 0 8 -2,-0.3 4,-2.5 -31,-0.3 -30,-0.2 0.848 112.1 65.8 -56.4 -37.0 2.1 17.9 58.9 53 55 A D H 34 S+ 0 0 88 -32,-1.5 -1,-0.3 1,-0.2 -31,-0.1 0.831 114.4 30.6 -50.7 -35.5 -0.3 20.6 57.8 54 56 A D H <4 S+ 0 0 130 -3,-1.5 -2,-0.2 -33,-0.2 -1,-0.2 0.800 136.7 18.3 -98.2 -36.0 -2.6 19.5 60.6 55 57 A V H < S- 0 0 71 -4,-2.2 -3,-0.2 1,-0.2 -2,-0.2 0.406 105.2-109.2-121.2 1.1 -0.4 18.1 63.4 56 58 A G < - 0 0 31 -4,-2.5 -1,-0.2 -5,-0.4 -2,-0.1 -0.069 46.9 -53.2 88.5 165.8 3.0 19.6 62.6 57 59 A H - 0 0 58 -5,-0.1 2,-0.7 -4,-0.1 7,-0.1 -0.299 39.5-133.4 -69.9 156.5 6.2 17.9 61.4 58 60 A E - 0 0 67 2,-0.1 7,-3.2 -2,-0.0 8,-0.3 -0.898 33.4-158.8-109.2 96.4 7.8 14.9 63.1 59 61 A M E +F 64 0C 84 -2,-0.7 2,-0.3 5,-0.2 5,-0.2 -0.593 21.9 165.4 -86.5 134.2 11.4 16.0 63.2 60 62 A E E > S-F 63 0C 66 3,-2.8 3,-1.3 -2,-0.3 -2,-0.1 -0.922 73.3 -18.1-146.7 121.4 14.3 13.6 63.6 61 63 A D T 3 S- 0 0 100 -2,-0.3 3,-0.1 1,-0.2 -2,-0.0 0.850 128.2 -50.5 50.1 39.7 18.0 14.6 63.0 62 64 A G T 3 S+ 0 0 41 1,-0.2 2,-0.3 0, 0.0 -1,-0.2 0.579 120.2 99.1 81.5 11.4 16.9 17.6 61.0 63 65 A H E < S-F 60 0C 88 -3,-1.3 -3,-2.8 -5,-0.0 2,-0.7 -0.965 75.8-119.8-126.4 144.3 14.5 15.8 58.7 64 66 A C E -F 59 0C 11 -2,-0.3 3,-0.3 -5,-0.2 -5,-0.2 -0.765 27.4-176.5 -81.0 114.9 10.7 15.5 58.8 65 67 A I + 0 0 17 -7,-3.2 -1,-0.1 -2,-0.7 -6,-0.1 0.373 61.7 88.0 -93.5 3.9 10.0 11.8 59.1 66 68 A R S S+ 0 0 15 -8,-0.3 -20,-0.5 -21,-0.1 -1,-0.2 0.878 76.5 77.7 -67.4 -36.2 6.2 12.0 59.0 67 69 A T E S-E 45 0B 5 -3,-0.3 2,-0.6 -22,-0.2 -22,-0.3 -0.448 70.6-136.6 -90.4 145.3 6.0 11.8 55.2 68 70 A V E -E 44 0B 6 -24,-3.1 -24,-1.6 -2,-0.2 -26,-0.1 -0.852 49.2-116.3 -77.8 125.9 6.1 9.2 52.6 69 71 A H > - 0 0 53 -2,-0.6 4,-2.6 -26,-0.2 5,-0.2 -0.230 14.5-112.2 -69.1 160.1 8.3 11.0 50.0 70 72 A A H > S+ 0 0 1 1,-0.2 4,-1.9 2,-0.2 -41,-0.2 0.934 118.2 46.8 -57.2 -51.6 7.0 12.0 46.5 71 73 A E H > S+ 0 0 7 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.891 112.7 50.5 -57.8 -43.0 9.3 9.5 44.7 72 74 A M H > S+ 0 0 22 1,-0.2 4,-3.1 2,-0.2 -1,-0.2 0.882 105.8 55.7 -63.8 -39.9 8.4 6.8 47.2 73 75 A N H X S+ 0 0 27 -4,-2.6 4,-1.9 2,-0.2 -1,-0.2 0.871 108.5 48.9 -62.2 -36.1 4.7 7.4 46.6 74 76 A A H X S+ 0 0 0 -4,-1.9 4,-1.5 2,-0.2 -2,-0.2 0.949 114.6 43.8 -64.7 -49.6 5.2 6.9 42.9 75 77 A L H X S+ 0 0 6 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.896 113.2 51.4 -62.3 -40.8 7.2 3.6 43.5 76 78 A I H X S+ 0 0 9 -4,-3.1 4,-3.3 2,-0.2 5,-0.3 0.852 102.3 59.6 -71.0 -32.6 4.7 2.4 46.1 77 79 A Q H X S+ 0 0 56 -4,-1.9 4,-2.4 -5,-0.2 5,-0.3 0.938 109.1 46.2 -53.0 -46.1 1.8 3.1 43.6 78 80 A C H X>S+ 0 0 0 -4,-1.5 4,-2.4 2,-0.2 5,-2.2 0.921 114.6 45.7 -63.0 -46.0 3.6 0.6 41.4 79 81 A A H <5S+ 0 0 3 -4,-2.3 153,-2.7 3,-0.2 154,-0.4 0.907 115.9 46.0 -65.5 -41.2 4.2 -2.0 44.2 80 82 A K H <5S+ 0 0 87 -4,-3.3 153,-0.9 151,-0.2 -2,-0.2 0.915 122.8 33.9 -69.0 -43.6 0.6 -1.7 45.5 81 83 A E H <5S- 0 0 110 -4,-2.4 150,-0.3 -5,-0.3 -2,-0.2 0.746 109.6-115.3 -80.5 -29.5 -1.1 -1.9 42.0 82 84 A G T <5 + 0 0 20 -4,-2.4 2,-0.4 148,-0.4 149,-0.2 0.898 59.9 152.0 83.3 52.6 1.4 -4.3 40.4 83 85 A I < - 0 0 63 -5,-2.2 2,-0.5 147,-0.2 146,-0.4 -0.959 48.4-116.0-113.0 131.5 2.7 -1.9 37.7 84 86 A S - 0 0 37 -2,-0.4 143,-0.2 144,-0.3 144,-0.2 -0.574 27.5-177.4 -76.3 122.0 6.3 -2.5 36.6 85 87 A A > + 0 0 0 141,-2.9 3,-0.8 -2,-0.5 142,-0.2 0.368 44.2 122.2 -92.5 1.7 8.7 0.4 37.4 86 88 A N T 3 S+ 0 0 42 141,-1.1 22,-0.2 140,-0.3 23,-0.1 -0.377 75.7 13.8 -66.7 142.6 11.6 -1.2 35.6 87 89 A N T 3 S+ 0 0 98 21,-1.4 -53,-0.3 1,-0.2 -1,-0.2 0.858 98.8 129.6 61.7 37.6 13.3 0.8 32.8 88 90 A T E < - c 0 109A 4 -3,-0.8 22,-3.4 20,-0.8 23,-0.5 -0.583 48.6-141.3-106.1 173.2 11.5 4.0 33.7 89 91 A E E -B 32 0A 38 -57,-2.7 -57,-3.2 20,-0.2 2,-0.4 -0.927 16.0-141.5-126.6 161.0 12.8 7.6 34.3 90 92 A I E -Bc 31 112A 0 21,-2.4 23,-2.6 -2,-0.3 2,-0.4 -0.947 7.6-158.5-125.5 144.8 11.5 10.0 37.0 91 93 A Y E +Bc 30 113A 9 -61,-2.3 -61,-2.7 -2,-0.4 2,-0.3 -0.992 23.8 174.5-117.0 128.8 10.8 13.7 37.0 92 94 A V E -Bc 29 114A 0 21,-2.7 23,-1.1 -2,-0.4 -63,-0.2 -0.986 38.5-136.0-141.0 143.9 10.8 15.2 40.5 93 95 A T E S+ 0 0 4 -65,-2.3 23,-3.3 -2,-0.3 2,-0.4 0.817 94.6 36.3 -68.1 -30.3 10.6 18.8 41.8 94 96 A H E S- c 0 116A 25 -66,-0.3 23,-0.2 21,-0.2 -1,-0.1 -0.969 96.6 -97.0-129.5 139.9 13.4 18.2 44.3 95 97 A F - 0 0 4 21,-2.5 2,-0.1 -2,-0.4 -2,-0.1 -0.270 55.6-100.0 -52.0 131.6 16.6 16.1 44.1 96 98 A P - 0 0 1 0, 0.0 25,-0.4 0, 0.0 -1,-0.1 -0.343 30.8-125.8 -65.6 135.5 16.0 12.7 45.8 97 99 A C > - 0 0 36 -3,-0.1 4,-3.0 23,-0.1 5,-0.2 -0.117 37.7 -93.7 -62.7 171.8 17.2 12.0 49.3 98 100 A I H > S+ 0 0 14 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.901 125.6 50.9 -63.7 -37.3 19.4 9.0 49.9 99 101 A N H > S+ 0 0 53 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.931 113.8 43.3 -65.4 -45.4 16.4 6.7 50.8 100 102 A C H > S+ 0 0 0 2,-0.2 4,-3.1 1,-0.2 5,-0.2 0.905 112.0 55.4 -65.1 -41.4 14.5 7.6 47.6 101 103 A T H X S+ 0 0 0 -4,-3.0 4,-2.7 1,-0.2 5,-0.3 0.942 108.8 46.7 -56.7 -49.9 17.7 7.4 45.6 102 104 A K H X S+ 0 0 7 -4,-2.6 4,-2.8 1,-0.2 -1,-0.2 0.932 114.5 47.0 -57.8 -47.0 18.3 3.8 46.8 103 105 A A H X S+ 0 0 2 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.930 113.4 48.1 -64.5 -44.8 14.7 2.8 46.1 104 106 A L H X>S+ 0 0 0 -4,-3.1 5,-2.4 2,-0.2 4,-0.6 0.938 114.3 45.4 -58.7 -50.6 14.7 4.4 42.6 105 107 A L H ><5S+ 0 0 3 -4,-2.7 3,-1.3 -5,-0.2 -2,-0.2 0.935 114.0 49.5 -61.0 -45.1 17.9 2.8 41.6 106 108 A Q H 3<5S+ 0 0 22 -4,-2.8 -1,-0.2 -5,-0.3 -2,-0.2 0.799 106.6 56.4 -64.7 -29.7 16.9 -0.6 43.0 107 109 A A H 3<5S- 0 0 0 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.573 122.4-102.5 -78.8 -10.1 13.5 -0.4 41.2 108 110 A G T <<5 + 0 0 6 -3,-1.3 -21,-1.4 -4,-0.6 -20,-0.8 0.669 62.5 160.0 92.8 20.4 15.2 0.0 37.8 109 111 A V E < -c 88 0A 2 -5,-2.4 -1,-0.3 -22,-0.2 -20,-0.2 -0.665 19.2-169.7 -73.7 128.6 14.7 3.8 37.3 110 112 A K E + 0 0 113 -22,-3.4 24,-0.9 -2,-0.4 2,-0.3 0.537 60.4 25.8-104.7 -13.5 17.4 4.7 34.7 111 113 A K E - d 0 134A 66 -23,-0.5 -21,-2.4 22,-0.2 2,-0.4 -0.981 58.8-156.5-155.0 143.2 17.3 8.5 34.8 112 114 A I E -cd 90 135A 0 22,-2.8 24,-2.4 -2,-0.3 2,-0.5 -0.991 7.4-172.9-126.8 121.1 16.4 11.2 37.3 113 115 A T E +cd 91 136A 0 -23,-2.6 -21,-2.7 -2,-0.4 2,-0.3 -0.977 15.7 173.8-115.4 126.4 15.4 14.7 36.2 114 116 A Y E -cd 92 137A 28 22,-2.6 24,-2.8 -2,-0.5 -21,-0.2 -0.912 28.9-158.1-133.9 157.0 15.0 17.3 39.1 115 117 A N E S+ 0 0 34 -23,-1.1 2,-0.4 -2,-0.3 -21,-0.2 0.890 77.2 48.8 -94.5 -66.1 14.3 21.0 39.5 116 118 A T E S-c 94 0A 55 -23,-3.3 -21,-2.5 -24,-0.1 2,-2.2 -0.642 72.7-136.0 -88.2 129.6 15.5 22.1 43.0 117 119 A A - 0 0 68 -2,-0.4 2,-0.6 -23,-0.2 3,-0.4 -0.493 40.8-178.5 -78.9 69.8 19.0 21.1 44.2 118 120 A Y - 0 0 71 -2,-2.2 3,-0.2 1,-0.2 -24,-0.0 -0.666 57.2 -39.1 -85.8 115.2 17.5 20.2 47.6 119 121 A R S S- 0 0 119 -2,-0.6 2,-0.4 1,-0.2 -1,-0.2 0.857 75.7-151.5 43.0 53.1 19.9 19.0 50.3 120 122 A I - 0 0 62 -3,-0.4 -1,-0.2 1,-0.1 -23,-0.1 -0.418 3.3-142.4 -65.4 116.2 21.9 16.9 47.8 121 123 A H >> - 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0 0 10 -7,-2.9 2,-0.3 -2,-0.5 -6,-0.2 0.574 62.5 -2.5-113.4 -17.5 5.4 -13.4 46.5 186 41 B A E -G 178 0D 0 -8,-1.1 -8,-2.9 2,-0.0 -1,-0.4 -0.965 57.0-165.1-166.5 158.3 8.7 -11.6 47.1 187 42 B T E -G 177 0D 7 -2,-0.3 2,-0.3 -10,-0.2 -10,-0.2 -0.936 7.2-176.3-142.2 168.9 11.7 -11.7 49.4 188 43 B G E -G 176 0D 3 -12,-2.2 -12,-2.5 -2,-0.3 2,-0.3 -0.966 11.7-162.8-165.7 149.6 14.6 -9.4 50.3 189 44 B Y E -G 175 0D 43 -2,-0.3 2,-0.4 -14,-0.2 -14,-0.2 -0.888 39.8 -93.3-125.8 162.1 17.8 -9.1 52.4 190 45 B N + 0 0 10 -16,-1.5 -22,-1.9 -2,-0.3 -21,-0.4 -0.645 66.8 119.8 -79.8 128.7 19.8 -6.0 53.4 191 46 B G B -K 215 0E 3 24,-1.6 24,-3.2 -2,-0.4 3,-0.1 -0.968 62.6 -65.6-169.1 172.9 22.6 -5.1 51.0 192 47 B G S S- 0 0 7 -2,-0.3 22,-0.2 22,-0.3 3,-0.1 -0.129 71.9 -71.2 -63.2 167.1 23.9 -2.3 48.7 193 48 B V S > S- 0 0 1 20,-0.5 3,-2.0 4,-0.2 -1,-0.2 -0.305 72.8 -82.6 -52.7 141.6 22.0 -1.3 45.7 194 49 B A T 3 S+ 0 0 43 1,-0.3 -1,-0.1 -3,-0.1 3,-0.1 -0.258 118.5 15.6 -51.3 135.9 22.3 -4.0 43.0 195 50 B D T 3 S+ 0 0 138 1,-0.3 -1,-0.3 -3,-0.1 2,-0.3 0.654 110.1 102.3 69.8 16.2 25.6 -3.7 41.2 196 51 B T S < S- 0 0 13 -3,-2.0 -1,-0.3 1,-0.1 -4,-0.1 -0.768 82.6 -70.5-120.1 172.3 27.1 -1.3 43.8 197 52 B D - 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