==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-APR-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/DNA 03-SEP-10 3OQG . COMPND 2 MOLECULE: HPY188I; . SOURCE 2 ORGANISM_SCIENTIFIC: HELICOBACTER PYLORI; . AUTHOR M.SOKOLOWSKA,H.CZAPINSKA,M.BOCHTLER . 351 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17916.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 216 61.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 72 20.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 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 . 4 1.1 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 . 20 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 42 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 75 21.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.4 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 0 2 0 2 0 0 0 0 2 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 2 0 0 2 4 2 2 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 . 2 0 0 0 2 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 -5 A H 0 0 248 0, 0.0 2,-0.1 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 106.7 -12.8 34.0 108.3 2 -4 A H - 0 0 127 1,-0.1 3,-0.1 3,-0.0 0, 0.0 -0.358 360.0-134.9 -71.7 145.8 -12.6 33.1 104.6 3 -3 A H S S- 0 0 64 1,-0.2 2,-0.3 -2,-0.1 -1,-0.1 0.942 86.8 -15.3 -63.3 -47.5 -10.4 30.2 103.5 4 -2 A H - 0 0 60 2,-0.1 -1,-0.2 1,-0.1 10,-0.0 -0.897 56.2-137.7-147.8 175.0 -9.1 32.3 100.6 5 -1 A E S S+ 0 0 142 -2,-0.3 2,-0.1 -3,-0.1 -1,-0.1 0.651 71.8 84.5-115.1 -20.1 -10.1 35.5 98.8 6 0 A F S S- 0 0 101 1,-0.1 2,-0.9 0, 0.0 -2,-0.1 -0.383 81.3-113.3 -83.3 161.6 -9.6 34.9 95.1 7 1 A M - 0 0 178 -2,-0.1 -1,-0.1 2,-0.0 -2,-0.0 -0.849 35.8-139.4 -99.1 101.0 -12.2 33.2 92.8 8 2 A A - 0 0 36 -2,-0.9 3,-0.1 1,-0.1 4,-0.0 -0.264 12.3-157.5 -59.8 140.7 -10.6 29.9 91.8 9 3 A K S S+ 0 0 159 1,-0.3 2,-0.3 2,-0.0 -1,-0.1 0.527 80.7 4.3 -91.0 -11.2 -11.1 28.8 88.2 10 4 A R S > S- 0 0 60 1,-0.1 3,-1.6 0, 0.0 4,-0.4 -0.968 80.3-100.7-167.1 159.0 -10.4 25.2 89.3 11 5 A K G > S+ 0 0 78 -2,-0.3 3,-2.0 1,-0.3 -1,-0.1 0.866 115.5 62.4 -57.0 -39.9 -9.8 23.0 92.4 12 6 A S G 3 S+ 0 0 18 1,-0.3 -1,-0.3 -3,-0.1 -4,-0.0 0.678 91.7 67.4 -65.2 -17.8 -6.0 22.9 91.9 13 7 A D G < S+ 0 0 31 -3,-1.6 2,-1.0 1,-0.1 -1,-0.3 0.697 84.4 83.3 -68.0 -23.5 -5.9 26.7 92.2 14 8 A I < - 0 0 45 -3,-2.0 2,-0.3 -4,-0.4 -1,-0.1 -0.744 68.0-163.4 -95.3 100.8 -6.8 26.4 95.9 15 9 A I - 0 0 37 -2,-1.0 2,-0.1 1,-0.1 99,-0.1 -0.628 25.4-113.2 -83.2 134.9 -3.7 25.6 98.0 16 10 A L - 0 0 9 97,-0.3 104,-0.2 -2,-0.3 105,-0.2 -0.480 24.5-159.3 -67.3 143.7 -4.3 24.2 101.5 17 11 A K - 0 0 83 1,-0.3 2,-0.3 -2,-0.1 -1,-0.1 0.681 57.9 -14.8-105.1 -19.9 -3.2 26.7 104.1 18 12 A S S > S- 0 0 41 1,-0.1 3,-1.9 104,-0.0 -1,-0.3 -0.978 74.8 -82.9-169.3 170.8 -2.7 24.6 107.3 19 13 A V G > S+ 0 0 45 102,-0.3 3,-2.5 -2,-0.3 4,-0.2 0.792 117.1 73.6 -54.9 -31.1 -3.3 21.3 109.0 20 14 A D G > S+ 0 0 96 1,-0.3 3,-1.6 2,-0.2 -1,-0.3 0.787 84.4 67.8 -54.1 -27.8 -6.8 22.7 110.0 21 15 A D G < S+ 0 0 28 -3,-1.9 3,-0.3 1,-0.3 -1,-0.3 0.683 96.9 54.2 -67.8 -15.1 -7.7 22.2 106.3 22 16 A L G X S+ 0 0 3 -3,-2.5 3,-2.0 -4,-0.2 -1,-0.3 0.342 73.2 108.1 -95.4 4.7 -7.5 18.4 107.0 23 17 A K T < S+ 0 0 117 -3,-1.6 -1,-0.2 1,-0.3 -2,-0.1 0.757 81.5 44.5 -63.5 -24.4 -9.9 18.3 109.9 24 18 A D T 3 S+ 0 0 106 -3,-0.3 -1,-0.3 -4,-0.2 -2,-0.1 0.325 92.7 110.6 -99.0 5.4 -12.7 16.6 108.0 25 19 A E S < S- 0 0 14 -3,-2.0 2,-0.4 1,-0.1 53,-0.1 -0.212 77.4 -92.8 -73.2 168.6 -10.4 14.0 106.4 26 20 A I - 0 0 25 51,-0.4 51,-3.1 1,-0.1 2,-0.2 -0.688 37.2-117.8 -85.9 134.8 -10.3 10.3 107.2 27 21 A D B > -A 76 0A 54 -2,-0.4 3,-1.6 49,-0.2 49,-0.3 -0.514 15.5-131.1 -67.7 136.0 -7.9 9.0 109.8 28 22 A Y G > S+ 0 0 21 47,-3.1 3,-2.3 1,-0.3 6,-0.2 0.851 107.2 67.1 -55.6 -33.4 -5.3 6.6 108.4 29 23 A K G 3 S+ 0 0 145 46,-0.4 -1,-0.3 1,-0.3 47,-0.1 0.778 99.4 51.3 -60.2 -24.3 -6.2 4.3 111.4 30 24 A D G < S+ 0 0 88 -3,-1.6 2,-0.4 4,-0.0 -1,-0.3 0.234 79.8 124.8 -94.8 9.9 -9.6 3.9 109.7 31 25 A F X - 0 0 3 -3,-2.3 3,-1.1 1,-0.1 4,-0.2 -0.626 54.9-148.9 -74.3 127.6 -8.1 3.0 106.3 32 26 A E T 3 S+ 0 0 54 -2,-0.4 3,-0.4 1,-0.3 -1,-0.1 0.780 93.7 46.1 -75.0 -30.9 -9.6 -0.4 105.3 33 27 A Y T >> S+ 0 0 30 1,-0.2 3,-2.3 2,-0.1 4,-0.6 0.313 75.6 116.3 -92.4 9.0 -6.5 -1.6 103.3 34 28 A K G X4 + 0 0 98 -3,-1.1 3,-0.9 1,-0.3 -1,-0.2 0.759 67.3 62.7 -55.4 -31.1 -4.0 -0.6 106.0 35 29 A E G 34 S+ 0 0 157 -3,-0.4 -1,-0.3 1,-0.2 -2,-0.1 0.779 103.7 50.2 -63.1 -27.0 -2.9 -4.2 106.7 36 30 A Y G <4 S+ 0 0 104 -3,-2.3 2,-0.3 94,-0.0 95,-0.2 0.571 103.3 76.1 -83.1 -14.0 -1.7 -4.3 103.0 37 31 A F << - 0 0 7 -3,-0.9 2,-0.4 -4,-0.6 93,-0.2 -0.775 58.7-170.1-104.7 146.3 0.3 -1.1 103.4 38 32 A N E -B 129 0A 102 91,-2.3 91,-2.6 -2,-0.3 20,-0.1 -0.985 37.7 -93.7-132.7 142.3 3.6 -0.5 105.2 39 33 A L E +B 128 0A 61 -2,-0.4 89,-0.3 89,-0.3 3,-0.1 -0.349 44.3 173.8 -54.0 127.7 5.4 2.7 106.1 40 34 A L E - 0 0 0 87,-3.3 18,-2.4 1,-0.4 17,-1.8 0.811 51.7 -41.0-107.7 -46.1 7.8 3.5 103.3 41 35 A C E -BC 127 56A 0 86,-1.4 86,-2.9 16,-0.2 -1,-0.4 -0.946 50.0-110.8-168.6 177.3 9.3 6.9 103.9 42 36 A E E -BC 126 55A 46 13,-2.0 13,-3.1 -2,-0.3 2,-0.5 -0.955 19.5-137.9-124.3 150.2 8.5 10.5 105.1 43 37 A L E -BC 125 54A 0 82,-2.5 82,-2.7 -2,-0.4 11,-0.2 -0.936 15.3-158.4-106.7 128.6 8.5 13.7 103.1 44 38 A V E - C 0 53A 42 9,-2.6 9,-2.9 -2,-0.5 80,-0.1 -0.929 16.0-130.2-111.2 114.2 10.0 16.7 104.8 45 39 A P E - C 0 52A 16 0, 0.0 2,-0.4 0, 0.0 7,-0.2 -0.414 18.5-170.7 -64.5 135.2 9.0 20.1 103.5 46 40 A N E >> + C 0 51A 36 5,-2.7 5,-1.8 1,-0.1 4,-0.6 -0.845 5.4 179.6-124.0 89.0 11.8 22.5 102.7 47 41 A N T >45S+ 0 0 82 -2,-0.4 3,-1.0 1,-0.2 -1,-0.1 0.882 77.3 57.8 -60.5 -41.7 10.2 25.9 102.1 48 42 A S T 345S+ 0 0 113 1,-0.3 -1,-0.2 2,-0.1 -2,-0.0 0.891 117.0 35.3 -58.7 -37.2 13.4 27.8 101.4 49 43 A L T 345S- 0 0 101 -3,-0.4 -1,-0.3 2,-0.2 -2,-0.2 0.395 106.2-128.6 -97.9 3.0 14.2 25.4 98.6 50 44 A E T <<5S+ 0 0 48 -3,-1.0 2,-0.3 -4,-0.6 -3,-0.2 0.913 71.6 98.3 51.7 52.2 10.5 24.9 97.5 51 45 A K E S+ 0 0 26 -18,-2.4 3,-2.0 1,-0.2 4,-0.4 -0.619 73.7 179.3 -86.8 76.4 11.7 0.9 104.3 59 53 A E G > S+ 0 0 158 -2,-1.7 3,-1.1 1,-0.3 4,-0.3 0.817 72.2 58.4 -56.6 -39.1 15.2 0.9 102.7 60 54 A K G 3 S+ 0 0 157 1,-0.2 -1,-0.3 -3,-0.2 3,-0.2 0.690 111.3 44.1 -65.2 -19.8 14.8 -2.4 100.8 61 55 A N G X S+ 0 0 25 -3,-2.0 3,-0.9 1,-0.1 26,-0.3 0.351 81.9 97.2-105.3 4.2 11.8 -0.9 99.0 62 56 A X T < S+ 0 0 20 -3,-1.1 26,-0.6 -4,-0.4 -1,-0.1 0.752 93.7 37.6 -67.2 -25.2 13.1 2.6 98.1 63 57 A K T 3 S+ 0 0 193 -4,-0.3 -1,-0.2 -3,-0.2 2,-0.2 0.342 90.8 119.6-104.5 3.6 14.1 1.4 94.6 64 58 A N < - 0 0 68 -3,-0.9 23,-0.4 21,-0.1 2,-0.4 -0.503 55.1-142.7 -70.1 136.6 11.0 -0.8 94.1 65 59 A E + 0 0 83 -2,-0.2 20,-0.2 21,-0.1 19,-0.1 -0.823 63.5 39.3-107.1 140.1 8.8 0.2 91.2 66 60 A G + 0 0 2 19,-1.1 2,-0.3 17,-0.4 18,-0.2 0.851 69.2 152.0 90.3 89.2 5.0 0.0 91.0 67 61 A L E -D 83 0A 0 16,-2.4 16,-2.1 18,-0.2 2,-0.4 -0.976 43.8-134.3-143.9 154.9 3.2 1.1 94.1 68 62 A V E -DE 82 130A 0 62,-2.8 62,-2.5 -2,-0.3 2,-0.3 -0.934 36.2-166.8-100.4 135.8 0.1 2.6 95.6 69 63 A Y E -DE 81 129A 2 12,-2.6 12,-2.4 -2,-0.4 2,-0.4 -0.918 17.7-155.2-125.8 155.6 0.9 5.2 98.2 70 64 A V E -DE 80 128A 0 58,-2.4 58,-2.4 -2,-0.3 2,-0.6 -1.000 11.2-148.7-128.5 124.8 -1.0 7.1 100.9 71 65 A F E -DE 79 127A 0 8,-2.3 7,-2.9 -2,-0.4 8,-1.2 -0.868 19.5-171.3 -92.1 122.9 0.2 10.5 102.2 72 66 A V E -DE 77 126A 3 54,-3.1 54,-2.7 -2,-0.6 2,-0.5 -0.963 9.1-171.9-122.7 131.9 -0.7 11.0 105.8 73 67 A I E > S-D 76 0A 1 3,-2.5 3,-2.2 -2,-0.4 52,-0.1 -0.981 76.6 -20.3-128.2 119.0 -0.4 14.2 107.7 74 68 A Q T 3 S- 0 0 117 -2,-0.5 -1,-0.2 50,-0.5 3,-0.1 0.917 129.7 -50.6 44.0 51.2 -0.9 14.2 111.5 75 69 A G T 3 S+ 0 0 36 1,-0.2 -47,-3.1 -48,-0.1 -46,-0.4 0.285 114.6 117.4 77.9 -9.2 -2.9 11.0 111.1 76 70 A K E < -AD 27 73A 45 -3,-2.2 -3,-2.5 -49,-0.3 2,-0.7 -0.739 68.8-120.7 -96.9 137.6 -5.2 12.3 108.3 77 71 A I E + D 0 72A 0 -51,-3.1 270,-0.4 -2,-0.3 -51,-0.4 -0.673 33.2 173.0 -75.9 113.4 -5.2 10.8 104.8 78 72 A F E - 0 0 0 -7,-2.9 270,-2.4 -2,-0.7 2,-0.3 0.846 62.2 -13.8 -88.4 -42.9 -4.3 13.7 102.4 79 73 A K E - D 0 71A 16 -8,-1.2 -8,-2.3 269,-0.2 2,-0.4 -0.994 45.1-146.0-157.8 159.8 -4.1 11.6 99.3 80 74 A I E + D 0 70A 3 -2,-0.3 2,-0.2 -10,-0.2 -10,-0.2 -0.992 37.5 151.8-123.2 130.2 -3.9 8.2 97.7 81 75 A G E - D 0 69A 2 -12,-2.4 -12,-2.6 -2,-0.4 2,-0.3 -0.843 28.3-135.8-143.6-176.7 -1.8 7.9 94.5 82 76 A H E - D 0 68A 48 -14,-0.2 2,-0.3 -2,-0.2 -14,-0.2 -0.974 9.4-169.2-143.7 163.4 0.2 5.5 92.4 83 77 A S E - D 0 67A 10 -16,-2.1 -16,-2.4 -2,-0.3 -17,-0.4 -0.975 24.1-155.2-151.1 138.9 3.5 5.3 90.5 84 78 A I S S+ 0 0 33 -2,-0.3 63,-0.2 -18,-0.2 64,-0.1 0.471 89.6 63.9 -82.5 -6.5 5.1 2.8 88.1 85 79 A T S S- 0 0 36 -20,-0.2 -19,-1.1 1,-0.2 -18,-0.2 -0.510 104.3 -78.7-102.4 176.4 8.4 4.3 89.2 86 80 A P >> - 0 0 10 0, 0.0 4,-1.7 0, 0.0 3,-0.7 -0.373 47.1-104.8 -68.0 160.0 10.0 4.2 92.7 87 81 A I H 3> S+ 0 0 1 -23,-0.4 4,-2.7 -26,-0.3 5,-0.2 0.822 118.9 64.0 -52.7 -34.4 8.7 6.7 95.3 88 82 A T H 3> S+ 0 0 50 -26,-0.6 4,-2.2 1,-0.2 -1,-0.2 0.912 104.1 44.6 -61.5 -44.2 11.9 8.8 94.8 89 83 A K H <> S+ 0 0 103 -3,-0.7 4,-2.7 2,-0.2 -1,-0.2 0.875 111.5 53.2 -66.9 -39.2 11.0 9.6 91.2 90 84 A R H X S+ 0 0 36 -4,-1.7 4,-2.4 2,-0.2 -2,-0.2 0.906 110.5 47.3 -63.1 -41.0 7.4 10.3 92.1 91 85 A V H X S+ 0 0 2 -4,-2.7 4,-2.5 2,-0.2 -2,-0.2 0.910 108.0 55.6 -63.8 -44.2 8.6 12.7 94.8 92 86 A Q H < S+ 0 0 126 -4,-2.2 4,-0.3 2,-0.2 -2,-0.2 0.939 108.5 49.8 -46.1 -49.9 11.0 14.2 92.1 93 87 A S H >< S+ 0 0 44 -4,-2.7 3,-2.3 1,-0.2 -2,-0.2 0.946 107.7 51.5 -59.8 -50.2 7.8 14.7 90.0 94 88 A Y H >< S+ 0 0 0 -4,-2.4 3,-2.4 1,-0.3 21,-0.2 0.898 100.5 64.6 -52.6 -38.8 5.9 16.4 93.0 95 89 A N T 3< S+ 0 0 27 -4,-2.5 -1,-0.3 1,-0.3 3,-0.2 0.562 87.0 71.4 -65.7 -6.1 9.0 18.7 93.3 96 90 A C T < S+ 0 0 55 -3,-2.3 2,-0.7 -4,-0.3 -1,-0.3 0.510 71.0 95.0 -78.0 -8.8 8.0 20.0 89.8 97 91 A G < + 0 0 0 -3,-2.4 19,-0.2 14,-0.3 -1,-0.2 -0.009 56.5 145.1 -74.2 31.2 5.0 21.7 91.4 98 92 A K > - 0 0 56 -2,-0.7 4,-2.4 -3,-0.2 3,-0.2 -0.376 61.6-119.6 -73.7 149.2 6.9 25.0 91.8 99 93 A V H > S+ 0 0 51 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.900 113.6 54.0 -49.4 -47.2 5.2 28.4 91.4 100 94 A E H > S+ 0 0 121 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.892 109.6 45.4 -56.8 -44.9 7.5 29.3 88.5 101 95 A Y H >>S+ 0 0 72 -3,-0.2 5,-2.3 2,-0.2 4,-1.2 0.867 110.5 54.0 -73.4 -33.2 6.6 26.2 86.5 102 96 A R H <5S+ 0 0 26 -4,-2.4 3,-0.3 2,-0.2 -2,-0.2 0.917 110.4 47.7 -62.3 -42.7 2.9 26.6 87.2 103 97 A K H <5S+ 0 0 172 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.885 112.3 48.3 -62.9 -41.0 3.2 30.1 85.8 104 98 A N H <5S- 0 0 52 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.695 109.9-128.1 -66.6 -22.8 5.2 28.7 82.8 105 99 A G T <5S+ 0 0 3 -4,-1.2 -3,-0.2 -3,-0.3 -2,-0.1 0.710 77.5 116.3 76.4 22.6 2.4 26.0 82.4 106 100 A T < + 0 0 56 -5,-2.3 2,-0.3 -6,-0.1 -4,-0.2 0.568 56.0 67.2-103.9 -10.5 5.0 23.3 82.4 107 101 A C S S- 0 0 12 -6,-0.7 2,-0.1 -9,-0.1 -10,-0.1 -0.722 91.4 -98.3-100.9 160.0 4.1 21.4 85.6 108 102 A S > - 0 0 54 -2,-0.3 4,-2.1 1,-0.1 5,-0.1 -0.451 26.0-125.2 -70.1 147.7 1.0 19.3 86.2 109 103 A T H > S+ 0 0 39 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.870 112.1 56.8 -60.0 -33.5 -1.8 21.1 88.2 110 104 A T H > S+ 0 0 62 2,-0.2 4,-2.9 1,-0.2 5,-0.3 0.919 105.6 47.2 -60.4 -51.4 -1.6 18.1 90.6 111 105 A N H > S+ 0 0 8 2,-0.2 4,-2.8 1,-0.2 5,-0.3 0.909 113.8 49.6 -64.0 -37.9 2.1 18.5 91.3 112 106 A Y H X S+ 0 0 43 -4,-2.1 4,-2.3 2,-0.2 5,-0.3 0.955 112.9 45.4 -60.3 -53.2 1.5 22.2 91.9 113 107 A F H X S+ 0 0 8 -4,-2.7 4,-2.0 2,-0.2 -97,-0.3 0.925 118.3 43.4 -58.6 -47.0 -1.5 21.7 94.2 114 108 A V H X S+ 0 0 0 -4,-2.9 4,-2.8 2,-0.2 5,-0.3 0.960 115.9 44.5 -68.2 -49.6 0.3 18.9 96.2 115 109 A L H X S+ 0 0 0 -4,-2.8 4,-2.6 -5,-0.3 5,-0.2 0.950 117.6 45.0 -61.3 -46.9 3.8 20.5 96.5 116 110 A Q H X S+ 0 0 29 -4,-2.3 4,-2.1 -5,-0.3 -1,-0.2 0.892 114.5 49.0 -67.4 -38.0 2.4 24.0 97.5 117 111 A S H X S+ 0 0 0 -4,-2.0 4,-2.7 -5,-0.3 5,-0.3 0.932 113.2 46.4 -65.7 -46.3 -0.2 22.5 99.9 118 112 A L H X>S+ 0 0 1 -4,-2.8 4,-1.9 1,-0.2 5,-0.6 0.878 113.1 49.5 -64.2 -39.0 2.5 20.3 101.6 119 113 A L H <5S+ 0 0 4 -4,-2.6 -1,-0.2 -5,-0.3 -2,-0.2 0.900 114.2 45.6 -63.6 -41.9 4.9 23.3 101.8 120 114 A K H <5S+ 0 0 121 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.906 112.9 47.4 -70.7 -43.5 2.2 25.6 103.3 121 115 A I H <5S- 0 0 10 -4,-2.7 -102,-0.3 -103,-0.2 -1,-0.2 0.889 94.5-162.2 -64.1 -37.7 0.9 23.0 105.8 122 116 A N T <5 + 0 0 91 -4,-1.9 2,-0.3 -5,-0.3 -3,-0.1 0.848 36.9 130.3 59.1 43.5 4.6 22.5 106.6 123 117 A K < - 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