==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-MAR-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 20-APR-09 3H4O . COMPND 2 MOLECULE: NITROREDUCTASE FAMILY PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: CLOSTRIDIUM DIFFICILE 630; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 172 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10887.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 111 64.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 1.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 27 15.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.6 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 . 0 0.0 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 . 11 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 17 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 50 29.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.2 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 1 0 0 2 0 0 1 0 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 2 0 0 0 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 1 A X 0 0 131 0, 0.0 2,-0.2 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 92.4 3.1 46.6 -3.0 2 2 A N > - 0 0 86 1,-0.0 4,-2.0 0, 0.0 5,-0.2 -0.583 360.0 -89.6-115.5-176.3 4.0 49.1 -0.3 3 3 A F H > S+ 0 0 135 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.889 121.0 50.3 -63.3 -43.7 4.0 52.9 -0.0 4 4 A V H > S+ 0 0 77 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.889 109.7 51.8 -65.3 -35.1 7.5 53.6 -1.3 5 5 A E H > S+ 0 0 95 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.920 112.0 47.8 -66.5 -39.0 6.8 51.4 -4.4 6 6 A L H X S+ 0 0 20 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.929 112.4 48.3 -62.6 -49.6 3.6 53.4 -5.0 7 7 A A H < S+ 0 0 33 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.856 113.2 47.9 -62.9 -35.5 5.4 56.7 -4.6 8 8 A K H < S+ 0 0 99 -4,-2.4 -1,-0.2 -5,-0.2 147,-0.2 0.847 109.6 51.1 -72.6 -37.9 8.2 55.7 -6.9 9 9 A K H < S+ 0 0 80 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.898 89.1 94.9 -71.8 -33.5 6.0 54.4 -9.7 10 10 A R < + 0 0 40 -4,-1.9 2,-0.3 -5,-0.2 103,-0.1 -0.282 53.8 158.2 -57.0 132.4 3.9 57.5 -9.8 11 11 A Y - 0 0 26 103,-0.1 2,-0.8 140,-0.0 103,-0.6 -0.918 48.6 -83.9-145.3 173.5 5.2 59.9 -12.4 12 12 A S B -a 114 0A 32 -2,-0.3 2,-0.4 101,-0.1 103,-0.2 -0.759 42.3-158.9 -87.6 111.8 3.9 62.9 -14.5 13 13 A C + 0 0 0 101,-2.8 3,-0.1 -2,-0.8 129,-0.1 -0.767 24.2 165.9 -88.6 129.4 2.1 61.6 -17.6 14 14 A R + 0 0 112 -2,-0.4 2,-0.4 1,-0.1 -1,-0.1 0.032 62.9 72.8-127.0 23.9 1.7 64.0 -20.5 15 15 A N - 0 0 68 52,-0.0 132,-2.3 133,-0.0 133,-0.5 -0.900 65.3-177.7-143.7 101.1 0.5 61.4 -23.1 16 16 A Y B -E 146 0B 18 50,-0.6 130,-0.2 -2,-0.4 2,-0.1 -0.848 22.5-130.1-111.1 143.0 -2.9 60.1 -22.6 17 17 A Q - 0 0 74 128,-2.7 128,-0.3 -2,-0.4 130,-0.1 -0.357 28.9-117.3 -70.3 157.7 -5.1 57.5 -24.4 18 18 A D S S+ 0 0 140 -2,-0.1 -1,-0.1 126,-0.1 2,-0.0 0.720 80.1 120.6 -62.2 -22.4 -8.6 58.4 -25.5 19 19 A R - 0 0 114 1,-0.1 126,-0.3 126,-0.1 -2,-0.1 -0.201 64.5-125.6 -54.7 121.2 -9.7 55.6 -23.1 20 20 A K - 0 0 142 1,-0.1 2,-0.5 124,-0.1 -1,-0.1 -0.201 20.5-106.2 -69.5 152.0 -12.0 57.0 -20.4 21 21 A V - 0 0 8 122,-0.1 -1,-0.1 48,-0.1 2,-0.1 -0.723 41.7-114.0 -77.4 127.0 -11.5 56.6 -16.7 22 22 A E >> - 0 0 60 -2,-0.5 4,-2.3 1,-0.1 3,-0.8 -0.353 15.1-126.9 -62.7 141.9 -13.9 54.0 -15.3 23 23 A K H 3> S+ 0 0 121 1,-0.3 4,-2.6 2,-0.2 5,-0.2 0.860 109.4 59.6 -55.9 -39.2 -16.5 55.4 -12.8 24 24 A E H 3> S+ 0 0 130 1,-0.2 4,-1.2 2,-0.2 -1,-0.3 0.867 108.4 43.6 -60.4 -37.4 -15.5 52.8 -10.3 25 25 A K H <> S+ 0 0 48 -3,-0.8 4,-2.2 2,-0.2 -2,-0.2 0.917 111.3 53.7 -75.9 -42.9 -11.9 54.1 -10.2 26 26 A L H X S+ 0 0 11 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.919 106.5 52.8 -54.7 -45.4 -13.0 57.7 -10.1 27 27 A E H X S+ 0 0 90 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.894 108.2 50.0 -65.5 -34.0 -15.2 57.1 -7.1 28 28 A K H X S+ 0 0 109 -4,-1.2 4,-1.1 2,-0.2 -1,-0.2 0.901 110.0 51.2 -69.2 -37.7 -12.3 55.5 -5.2 29 29 A V H X S+ 0 0 0 -4,-2.2 4,-0.6 1,-0.2 3,-0.5 0.941 111.5 47.8 -62.4 -48.8 -10.1 58.5 -6.0 30 30 A L H >X S+ 0 0 50 -4,-2.7 3,-1.2 1,-0.2 4,-0.8 0.866 101.2 65.7 -60.0 -38.3 -12.8 60.8 -4.7 31 31 A D H >X S+ 0 0 94 -4,-2.1 4,-1.7 1,-0.3 3,-0.9 0.890 98.8 52.3 -54.7 -39.9 -13.3 58.8 -1.5 32 32 A V H 3X S+ 0 0 21 -4,-1.1 4,-1.8 -3,-0.5 -1,-0.3 0.723 95.7 67.6 -75.8 -16.2 -9.8 59.7 -0.3 33 33 A A H << S+ 0 0 6 -3,-1.2 -1,-0.2 -4,-0.6 -2,-0.2 0.798 108.5 40.5 -65.1 -29.0 -10.4 63.5 -0.8 34 34 A R H << S+ 0 0 198 -3,-0.9 -2,-0.2 -4,-0.8 -1,-0.2 0.844 112.7 54.3 -81.5 -41.5 -12.9 63.1 2.1 35 35 A I H < S+ 0 0 115 -4,-1.7 -2,-0.2 64,-0.1 -3,-0.1 0.817 89.1 98.2 -63.7 -33.9 -10.6 60.8 4.2 36 36 A A S < S- 0 0 5 -4,-1.8 2,-0.2 1,-0.1 63,-0.1 -0.151 78.6-112.4 -57.0 148.7 -7.7 63.2 4.1 37 37 A P - 0 0 79 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.503 29.6-169.5 -82.2 151.4 -7.0 65.5 7.1 38 38 A T > - 0 0 13 -2,-0.2 3,-2.5 60,-0.1 4,-0.0 -0.962 38.7 -81.9-135.3 152.2 -7.4 69.3 6.9 39 39 A G G > S- 0 0 20 -2,-0.3 3,-2.2 1,-0.3 43,-0.3 -0.292 115.9 -1.3 -55.8 131.7 -6.4 72.0 9.4 40 40 A G G 3 S- 0 0 62 1,-0.3 -1,-0.3 2,-0.1 0, 0.0 0.618 115.1 -86.8 66.1 11.4 -8.9 72.3 12.2 41 41 A N G < S+ 0 0 111 -3,-2.5 -1,-0.3 1,-0.1 -2,-0.2 0.774 89.3 145.0 51.5 32.6 -10.9 69.6 10.4 42 42 A R < - 0 0 115 -3,-2.2 -2,-0.1 1,-0.0 -1,-0.1 0.719 43.6-152.7 -75.2 -22.9 -12.3 72.6 8.5 43 43 A Q + 0 0 90 -4,-0.2 38,-0.1 1,-0.1 -3,-0.1 0.916 27.5 166.6 54.6 59.6 -12.7 70.6 5.2 44 44 A P + 0 0 1 0, 0.0 33,-2.2 0, 0.0 2,-0.1 0.430 32.3 119.0 -86.0 -0.2 -12.3 73.7 2.9 45 45 A Q E -B 76 0A 32 31,-0.2 2,-0.4 -12,-0.1 31,-0.2 -0.425 39.2-176.0 -71.5 141.1 -11.7 71.6 -0.2 46 46 A R E -B 75 0A 139 29,-2.4 29,-3.0 -2,-0.1 2,-0.4 -0.964 9.5-164.4-141.1 114.9 -14.3 72.0 -3.1 47 47 A L E -B 74 0A 33 -2,-0.4 2,-0.5 27,-0.2 27,-0.2 -0.848 14.1-162.3-108.3 140.1 -13.8 69.7 -6.1 48 48 A I E -B 73 0A 47 25,-2.3 25,-2.5 -2,-0.4 2,-0.4 -0.983 15.7-147.2-119.3 117.7 -15.2 69.8 -9.6 49 49 A V E -B 72 0A 53 -2,-0.5 2,-0.5 23,-0.2 23,-0.2 -0.729 17.7-168.4 -81.0 125.6 -15.0 66.5 -11.5 50 50 A I E +B 71 0A 6 21,-3.1 21,-2.4 -2,-0.4 -2,-0.0 -0.955 36.1 127.4-126.3 108.8 -14.5 67.3 -15.2 51 51 A Q + 0 0 80 -2,-0.5 2,-0.2 19,-0.2 -1,-0.1 0.386 51.4 90.8-139.1 3.9 -14.9 64.6 -17.9 52 52 A E S > S- 0 0 156 1,-0.1 4,-2.7 0, 0.0 5,-0.3 -0.577 84.3-102.9-106.7 167.6 -17.4 66.0 -20.4 53 53 A K H > S+ 0 0 167 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.872 113.9 47.0 -61.9 -48.3 -16.8 68.1 -23.5 54 54 A E H > S+ 0 0 136 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.972 116.1 45.2 -55.5 -55.1 -17.7 71.5 -22.3 55 55 A G H > S+ 0 0 14 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.884 112.7 49.4 -60.0 -46.9 -15.7 71.2 -19.1 56 56 A I H X S+ 0 0 30 -4,-2.7 4,-2.3 2,-0.2 -1,-0.2 0.926 112.0 50.1 -58.9 -43.3 -12.6 69.7 -20.8 57 57 A N H X S+ 0 0 80 -4,-2.7 4,-0.8 -5,-0.3 -2,-0.2 0.913 108.9 52.0 -61.1 -42.9 -12.8 72.5 -23.3 58 58 A K H >X S+ 0 0 57 -4,-2.9 3,-0.8 -5,-0.2 4,-0.7 0.924 109.9 48.7 -58.1 -46.5 -13.0 75.2 -20.6 59 59 A L H >X S+ 0 0 0 -4,-2.4 3,-1.5 1,-0.2 4,-1.5 0.915 105.0 58.7 -60.9 -38.1 -9.9 73.7 -18.9 60 60 A S H 3< S+ 0 0 57 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.665 98.8 59.9 -68.8 -19.2 -8.0 73.7 -22.1 61 61 A K H << S+ 0 0 129 -4,-0.8 -1,-0.3 -3,-0.8 -2,-0.2 0.752 114.7 35.2 -69.3 -29.5 -8.6 77.5 -22.4 62 62 A A H << S+ 0 0 10 -3,-1.5 59,-2.0 -4,-0.7 2,-0.3 0.607 127.1 6.3-102.1 -18.4 -6.7 77.9 -19.1 63 63 A A S < S- 0 0 15 -4,-1.5 2,-0.8 57,-0.2 -1,-0.2 -0.987 74.2 -96.2-160.3 158.0 -4.0 75.2 -19.2 64 64 A N + 0 0 104 55,-0.5 55,-0.1 -2,-0.3 -4,-0.1 -0.815 40.0 173.7 -83.1 111.4 -2.3 72.5 -21.3 65 65 A I > - 0 0 3 -2,-0.8 3,-2.3 -9,-0.1 -1,-0.1 0.266 39.0-128.7-107.9 12.6 -4.2 69.4 -20.2 66 66 A Y T 3 - 0 0 69 1,-0.3 -50,-0.6 -6,-0.1 -2,-0.1 0.781 60.6 -69.9 54.3 32.9 -2.5 67.0 -22.7 67 67 A D T 3 S+ 0 0 135 1,-0.2 -1,-0.3 -52,-0.1 -53,-0.0 0.789 79.3 175.2 50.5 32.2 -5.9 65.6 -23.9 68 68 A A < - 0 0 3 -3,-2.3 -1,-0.2 1,-0.1 76,-0.1 -0.402 31.5-138.7 -62.5 143.4 -6.4 63.9 -20.6 69 69 A P S S+ 0 0 8 0, 0.0 2,-0.4 0, 0.0 75,-0.1 0.612 82.8 34.2 -80.4 -14.4 -9.9 62.2 -20.3 70 70 A L E + C 0 143A 1 73,-1.2 73,-2.8 -50,-0.1 2,-0.3 -0.984 61.4 176.3-145.7 136.9 -10.5 63.2 -16.7 71 71 A A E -BC 50 142A 0 -21,-2.4 -21,-3.1 -2,-0.4 2,-0.5 -0.969 15.0-155.5-133.8 147.8 -9.6 66.3 -14.6 72 72 A I E -BC 49 141A 0 69,-2.0 69,-2.6 -2,-0.3 2,-0.6 -0.977 10.9-151.6-123.2 117.2 -10.4 67.3 -11.0 73 73 A L E -BC 48 140A 0 -25,-2.5 -25,-2.3 -2,-0.5 2,-0.7 -0.788 13.3-157.6 -84.7 118.1 -10.3 71.0 -10.3 74 74 A V E +BC 47 139A 0 65,-3.2 64,-2.6 -2,-0.6 65,-1.8 -0.908 15.7 176.6-106.3 111.9 -9.4 71.4 -6.6 75 75 A C E -BC 46 137A 2 -29,-3.0 -29,-2.4 -2,-0.7 2,-0.4 -0.731 19.7-139.1-104.7 159.5 -10.5 74.7 -5.0 76 76 A G E -BC 45 136A 0 60,-2.3 60,-2.2 -2,-0.3 2,-0.8 -0.969 11.8-134.8-122.3 141.1 -10.2 75.9 -1.4 77 77 A D E >> - C 0 135A 19 -33,-2.2 4,-1.9 -2,-0.4 3,-1.8 -0.820 9.6-165.6 -96.7 109.7 -12.9 77.8 0.4 78 78 A K T 34 S+ 0 0 93 56,-2.4 -1,-0.1 -2,-0.8 57,-0.1 0.616 87.3 66.1 -73.9 -10.1 -11.4 80.8 2.3 79 79 A D T 34 S+ 0 0 116 55,-0.4 -1,-0.3 1,-0.1 56,-0.1 0.573 114.0 30.0 -83.2 -10.2 -14.6 81.1 4.3 80 80 A K T <4 S+ 0 0 112 -3,-1.8 -2,-0.2 54,-0.2 -1,-0.1 0.645 94.7 106.2-113.6 -30.0 -14.0 77.7 5.9 81 81 A V S < S- 0 0 4 -4,-1.9 2,-0.2 -37,-0.1 -41,-0.1 -0.168 75.8-104.3 -61.3 147.9 -10.2 77.4 6.0 82 82 A W - 0 0 82 -43,-0.3 9,-1.8 9,-0.0 2,-0.5 -0.468 31.3-152.2 -71.1 140.4 -8.3 77.8 9.3 83 83 A T B -F 90 0C 60 7,-0.2 7,-0.2 -2,-0.2 6,-0.1 -0.971 17.1-122.4-119.5 124.2 -6.4 81.1 9.7 84 84 A R > - 0 0 82 5,-2.4 4,-2.4 -2,-0.5 3,-0.4 -0.515 12.6-144.8 -74.5 127.1 -3.3 81.2 11.8 85 85 A P T 4 S+ 0 0 112 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.783 91.5 59.9 -60.2 -32.3 -3.6 83.8 14.7 86 86 A F T 4 S- 0 0 194 1,-0.1 -2,-0.0 3,-0.1 -3,-0.0 0.920 130.8 -3.6 -63.0 -45.7 0.0 84.9 14.6 87 87 A D T 4 S- 0 0 97 -3,-0.4 -1,-0.1 2,-0.1 -3,-0.0 0.349 92.7-109.3-136.7 0.4 0.2 86.2 11.0 88 88 A G < + 0 0 42 -4,-2.4 2,-0.4 1,-0.2 -2,-0.0 0.563 58.6 162.1 70.3 14.0 -3.2 85.5 9.4 89 89 A K - 0 0 104 -5,-0.2 -5,-2.4 -6,-0.1 2,-0.3 -0.511 28.2-145.4 -71.8 127.7 -1.8 82.8 7.1 90 90 A Q B -F 83 0C 71 -2,-0.4 3,-0.4 -7,-0.2 -7,-0.2 -0.653 11.4-136.9 -95.8 148.0 -4.5 80.6 5.7 91 91 A L > + 0 0 25 -9,-1.8 4,-2.8 -2,-0.3 5,-0.4 0.195 66.0 121.1 -89.2 19.0 -4.1 76.9 5.1 92 92 A T H > S+ 0 0 9 1,-0.3 4,-1.5 2,-0.2 -1,-0.2 0.874 78.8 38.0 -55.2 -48.3 -5.8 77.0 1.7 93 93 A D H > S+ 0 0 91 -3,-0.4 4,-1.3 2,-0.2 -1,-0.3 0.820 118.6 51.1 -70.7 -32.2 -2.9 75.7 -0.4 94 94 A I H > S+ 0 0 77 -4,-0.2 4,-2.1 -3,-0.2 3,-0.4 0.989 112.0 42.7 -72.7 -55.1 -1.9 73.2 2.3 95 95 A D H X S+ 0 0 3 -4,-2.8 4,-2.0 1,-0.2 -2,-0.2 0.898 116.2 48.5 -57.4 -47.7 -5.2 71.5 2.9 96 96 A T H X S+ 0 0 0 -4,-1.5 4,-2.3 -5,-0.4 -1,-0.2 0.823 110.6 52.2 -66.3 -29.0 -6.1 71.3 -0.8 97 97 A S H X S+ 0 0 36 -4,-1.3 4,-2.6 -3,-0.4 -1,-0.2 0.837 106.1 52.3 -76.6 -35.2 -2.7 69.8 -1.6 98 98 A I H X S+ 0 0 54 -4,-2.1 4,-2.6 2,-0.2 5,-0.2 0.951 113.1 46.8 -61.8 -46.7 -3.0 67.1 1.0 99 99 A V H X S+ 0 0 0 -4,-2.0 4,-2.1 -5,-0.2 -2,-0.2 0.937 114.6 45.8 -59.5 -46.5 -6.4 66.2 -0.6 100 100 A T H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 -1,-0.2 0.887 111.9 50.9 -65.7 -41.9 -4.9 66.3 -4.1 101 101 A D H X S+ 0 0 63 -4,-2.6 4,-2.6 2,-0.2 5,-0.2 0.931 108.9 51.8 -62.2 -46.1 -1.8 64.2 -3.1 102 102 A H H X S+ 0 0 63 -4,-2.6 4,-2.6 -5,-0.2 5,-0.2 0.929 112.8 46.1 -52.0 -50.7 -4.1 61.6 -1.5 103 103 A X H X S+ 0 0 0 -4,-2.1 4,-2.8 -5,-0.2 -2,-0.2 0.916 111.2 51.7 -63.5 -40.8 -6.1 61.5 -4.8 104 104 A X H X S+ 0 0 14 -4,-2.6 4,-2.0 2,-0.2 -2,-0.2 0.922 112.6 45.0 -62.4 -44.3 -3.0 61.3 -7.0 105 105 A L H X S+ 0 0 23 -4,-2.6 4,-1.9 2,-0.2 -2,-0.2 0.934 113.8 49.5 -67.7 -42.9 -1.5 58.4 -4.9 106 106 A Q H X S+ 0 0 39 -4,-2.6 4,-1.6 -5,-0.2 -2,-0.2 0.920 109.9 51.9 -61.7 -43.4 -4.9 56.5 -4.9 107 107 A A H <>S+ 0 0 0 -4,-2.8 5,-2.3 1,-0.2 3,-0.4 0.940 107.8 53.1 -55.6 -46.0 -5.2 57.1 -8.8 108 108 A T H ><5S+ 0 0 17 -4,-2.0 3,-1.7 1,-0.2 -1,-0.2 0.887 104.5 53.9 -58.4 -43.5 -1.7 55.6 -9.1 109 109 A E H 3<5S+ 0 0 128 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.845 105.7 54.6 -61.7 -32.8 -2.7 52.4 -7.2 110 110 A L T 3<5S- 0 0 28 -4,-1.6 -1,-0.3 -3,-0.4 -2,-0.2 0.262 124.1-102.2 -85.3 8.0 -5.6 51.9 -9.5 111 111 A G T < 5S+ 0 0 51 -3,-1.7 2,-0.4 1,-0.3 -3,-0.2 0.539 75.4 141.0 83.5 9.5 -3.4 52.0 -12.6 112 112 A L < - 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