==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 10-MAY-06 2GZ2 . COMPND 2 MOLECULE: ASPARTATE BETA-SEMIALDEHYDE DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS PNEUMONIAE; . AUTHOR C.R.FAEHNLE,J.LE COQ,X.LIU,R.E.VIOLA . 714 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26072.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 483 67.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 81 11.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 70 9.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 1 0.1 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 . 43 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 85 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 160 22.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 17 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 4 0 0 0 0 2 0 2 0 4 2 1 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 1 5 4 0 2 0 2 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 . 6 0 0 2 2 0 2 2 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 0 4 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 2 A G 0 0 64 0, 0.0 2,-0.3 0, 0.0 27,-0.2 0.000 360.0 360.0 360.0 178.9 -2.5 21.5 77.7 2 3 A Y E -a 28 0A 35 25,-2.5 27,-2.2 63,-0.0 28,-1.5 -0.772 360.0-128.2-112.7 155.0 -3.9 20.3 74.4 3 4 A T E -a 30 0A 24 -2,-0.3 62,-2.0 26,-0.2 63,-1.7 -0.935 36.8-166.1 -93.6 115.2 -4.0 17.1 72.4 4 5 A V E -ab 31 66A 0 26,-2.4 28,-2.0 -2,-0.7 2,-0.4 -0.843 7.6-161.3-108.5 143.5 -2.6 18.1 68.9 5 6 A A E -ab 32 67A 0 61,-2.1 63,-2.4 -2,-0.3 2,-0.6 -0.981 8.2-157.6-126.1 131.8 -2.8 16.0 65.7 6 7 A V E > -ab 33 68A 0 26,-2.3 28,-3.9 -2,-0.4 2,-0.6 -0.963 10.4-163.1-105.1 115.1 -0.8 16.3 62.5 7 8 A V E 3 S+ab 34 69A 1 61,-2.6 63,-2.7 -2,-0.6 28,-0.2 -0.917 82.7 23.7 -99.0 117.7 -2.6 14.8 59.6 8 9 A G T > S+ 0 0 9 26,-2.5 3,-1.0 -2,-0.6 6,-0.5 0.756 76.2 158.5 91.7 35.3 -0.1 14.3 56.8 9 10 A A T < + 0 0 1 25,-1.9 9,-0.2 -3,-0.6 26,-0.1 0.757 65.6 58.2 -61.6 -30.3 2.9 14.1 59.2 10 11 A T T 3 S+ 0 0 55 24,-0.3 -1,-0.2 4,-0.1 25,-0.1 0.667 91.1 90.1 -79.3 -18.4 5.1 12.2 56.7 11 12 A G S <> S- 0 0 28 -3,-1.0 4,-1.8 59,-0.2 5,-0.2 0.005 93.0 -96.4 -73.4 178.9 5.0 14.8 53.9 12 13 A A H > S+ 0 0 10 2,-0.2 4,-1.1 1,-0.2 5,-0.1 0.932 125.6 36.7 -59.9 -50.0 7.2 17.8 53.1 13 14 A V H > S+ 0 0 22 2,-0.2 4,-1.8 1,-0.2 3,-0.3 0.911 114.4 55.7 -71.6 -44.7 4.8 20.2 54.9 14 15 A G H > S+ 0 0 0 -6,-0.5 4,-1.5 56,-0.3 -1,-0.2 0.810 104.9 53.9 -57.9 -34.0 3.9 17.8 57.7 15 16 A A H X S+ 0 0 36 -4,-1.8 4,-2.0 2,-0.2 -1,-0.2 0.847 109.4 47.1 -70.2 -37.5 7.6 17.4 58.6 16 17 A Q H X S+ 0 0 53 -4,-1.1 4,-2.1 -3,-0.3 -2,-0.2 0.776 107.5 58.6 -71.7 -26.8 8.0 21.2 58.9 17 18 A M H X S+ 0 0 0 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.863 106.9 46.9 -67.8 -36.9 4.8 21.1 61.0 18 19 A I H X S+ 0 0 13 -4,-1.5 4,-2.8 2,-0.2 5,-0.2 0.958 111.7 50.2 -67.0 -51.2 6.5 18.8 63.4 19 20 A K H X S+ 0 0 92 -4,-2.0 4,-1.4 1,-0.2 -2,-0.2 0.869 114.1 45.4 -54.3 -39.9 9.6 20.9 63.5 20 21 A M H < S+ 0 0 7 -4,-2.1 -1,-0.2 2,-0.2 -2,-0.2 0.850 112.3 50.3 -75.3 -36.2 7.5 24.0 64.2 21 22 A L H >< S+ 0 0 4 -4,-2.1 3,-1.0 2,-0.2 -2,-0.2 0.872 107.5 55.0 -66.9 -38.2 5.4 22.3 66.9 22 23 A E H 3< S+ 0 0 40 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.901 113.9 41.0 -58.2 -41.0 8.6 21.1 68.5 23 24 A E T 3< S+ 0 0 111 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.354 98.0 113.2 -90.8 5.4 9.8 24.7 68.7 24 25 A S < - 0 0 21 -3,-1.0 -3,-0.1 -4,-0.2 311,-0.0 -0.286 65.4-142.5 -78.4 157.5 6.3 26.1 69.7 25 26 A T + 0 0 118 2,-0.1 -1,-0.1 -2,-0.1 -4,-0.1 0.561 66.7 121.1 -87.3 -15.8 5.2 27.7 72.9 26 27 A L S S- 0 0 11 1,-0.1 2,-0.9 308,-0.1 -2,-0.1 -0.274 70.8-123.8 -48.8 124.8 1.8 25.8 72.5 27 28 A P - 0 0 51 0, 0.0 -25,-2.5 0, 0.0 2,-0.6 -0.678 34.0-173.5 -81.5 106.4 1.3 23.6 75.6 28 29 A I E +a 2 0A 39 -2,-0.9 -25,-0.2 -27,-0.2 3,-0.1 -0.911 21.7 175.6-110.3 117.7 0.9 20.1 74.3 29 30 A D E S+ 0 0 126 -27,-2.2 2,-0.4 -2,-0.6 -26,-0.2 0.823 78.2 19.0 -79.9 -39.5 -0.0 17.2 76.6 30 31 A K E -a 3 0A 125 -28,-1.5 -26,-2.4 2,-0.0 2,-0.4 -1.000 65.4-160.8-138.7 134.4 -0.4 14.6 73.8 31 32 A I E -a 4 0A 15 -2,-0.4 2,-0.4 -28,-0.2 -26,-0.2 -0.943 9.9-174.8-115.1 135.6 0.9 14.6 70.2 32 33 A R E -a 5 0A 37 -28,-2.0 -26,-2.3 -2,-0.4 2,-0.5 -0.983 13.0-151.2-127.3 143.7 -0.5 12.3 67.5 33 34 A Y E -ac 6 53A 0 19,-0.7 21,-2.3 -2,-0.4 2,-0.3 -0.969 16.9-171.0-114.2 130.0 0.7 11.8 63.9 34 35 A L E +ac 7 54A 0 -28,-3.9 -26,-2.5 -2,-0.5 -25,-1.9 -0.856 17.8 136.4-120.8 152.9 -1.9 10.9 61.3 35 36 A A E - c 0 55A 7 19,-2.1 21,-2.0 -2,-0.3 36,-0.0 -0.901 53.5 -48.3-168.6-170.1 -1.5 9.7 57.6 36 37 A S >> - 0 0 69 -2,-0.2 3,-0.8 19,-0.2 4,-0.8 -0.268 64.1 -93.4 -74.5 171.4 -2.7 7.2 55.0 37 38 A A T 34 S+ 0 0 60 1,-0.2 3,-0.2 2,-0.2 18,-0.1 0.731 121.4 58.6 -62.0 -27.3 -3.0 3.4 55.8 38 39 A R T 34 S+ 0 0 225 1,-0.2 -1,-0.2 3,-0.1 4,-0.2 0.847 105.0 49.8 -71.9 -34.6 0.5 2.6 54.4 39 40 A S T X4 S+ 0 0 13 -3,-0.8 3,-1.2 2,-0.1 2,-0.4 0.657 85.0 111.0 -74.7 -17.5 2.3 5.0 56.9 40 41 A A T 3< S+ 0 0 43 -4,-0.8 14,-0.2 1,-0.2 3,-0.1 -0.462 77.4 27.0 -68.8 118.1 0.4 3.5 59.9 41 42 A G T 3 S+ 0 0 56 12,-1.2 -1,-0.2 1,-0.5 -2,-0.1 -0.165 90.8 113.5 123.9 -38.3 2.8 1.6 62.1 42 43 A K < - 0 0 113 -3,-1.2 11,-2.0 -4,-0.2 -1,-0.5 -0.172 63.8-122.8 -56.2 156.5 6.0 3.5 61.3 43 44 A S E +G 52 0B 68 9,-0.2 2,-0.3 -3,-0.1 9,-0.2 -0.728 28.4 177.8-104.9 157.2 7.7 5.5 64.0 44 45 A L E -G 51 0B 55 7,-1.4 7,-1.6 -2,-0.3 2,-0.1 -0.939 28.2-106.8-162.7 135.9 8.6 9.2 63.9 45 46 A K E -G 50 0B 113 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.323 19.8-174.5 -74.9 141.0 10.1 11.6 66.5 46 47 A F E > S-G 49 0B 13 3,-1.8 3,-1.6 -2,-0.1 2,-0.4 -0.933 80.5 -51.8-120.8 111.6 8.5 14.4 68.5 47 48 A K T 3 S- 0 0 125 -2,-0.4 -2,-0.0 1,-0.3 -25,-0.0 -0.534 121.6 -27.8 52.8-112.0 11.5 15.9 70.3 48 49 A D T 3 S+ 0 0 149 -2,-0.4 -1,-0.3 -3,-0.1 -3,-0.0 0.629 118.8 97.6-102.0 -19.6 13.1 12.8 71.8 49 50 A Q E < S-G 46 0B 113 -3,-1.6 -3,-1.8 1,-0.1 2,-0.5 -0.278 72.3-124.3 -67.6 154.1 9.9 10.7 72.1 50 51 A D E -G 45 0B 101 -5,-0.2 2,-0.4 -7,-0.1 -5,-0.2 -0.880 26.7-163.5 -97.8 132.0 8.8 8.0 69.6 51 52 A I E -G 44 0B 22 -7,-1.6 -7,-1.4 -2,-0.5 2,-0.4 -0.947 14.6-131.2-119.3 138.8 5.3 8.5 68.1 52 53 A T E -G 43 0B 90 -2,-0.4 -19,-0.7 -9,-0.2 2,-0.3 -0.749 21.9-129.4 -89.3 131.8 3.2 5.9 66.3 53 54 A I E -c 33 0A 2 -11,-2.0 -12,-1.2 -2,-0.4 2,-0.3 -0.610 27.7-157.9 -80.4 140.1 1.7 7.0 63.0 54 55 A E E -c 34 0A 69 -21,-2.3 -19,-2.1 -2,-0.3 2,-0.2 -0.849 20.6-102.3-122.4 153.2 -2.0 6.3 62.7 55 56 A E E -c 35 0A 101 -2,-0.3 2,-0.6 -21,-0.2 -19,-0.2 -0.508 36.3-122.3 -70.1 140.8 -4.5 5.9 59.9 56 57 A T + 0 0 8 -21,-2.0 2,-0.2 -2,-0.2 -19,-0.1 -0.793 48.5 152.6 -85.6 117.8 -6.7 9.0 59.2 57 58 A T > - 0 0 34 -2,-0.6 3,-1.0 22,-0.1 4,-0.0 -0.824 60.4 -95.8-133.1 178.8 -10.4 7.9 59.5 58 59 A E T 3 S+ 0 0 100 -2,-0.2 3,-0.2 1,-0.2 -2,-0.0 0.666 125.0 44.1 -66.4 -21.5 -13.8 9.5 60.4 59 60 A T T > S+ 0 0 114 1,-0.1 3,-0.7 2,-0.1 -1,-0.2 0.315 87.6 91.6-105.3 4.1 -13.4 8.2 64.0 60 61 A A T < S+ 0 0 11 -3,-1.0 -1,-0.1 1,-0.2 -2,-0.1 0.293 73.3 67.5 -89.0 11.6 -9.8 9.1 64.6 61 62 A F T > + 0 0 2 -3,-0.2 3,-1.7 21,-0.1 -1,-0.2 0.304 58.6 130.3-118.8 7.6 -10.4 12.6 66.1 62 63 A E T < S+ 0 0 150 -3,-0.7 3,-0.1 1,-0.3 25,-0.1 -0.439 82.0 13.0 -62.7 131.0 -12.1 11.9 69.5 63 64 A G T 3 S+ 0 0 55 23,-0.4 2,-0.5 1,-0.3 -1,-0.3 0.541 93.4 135.2 81.6 8.5 -10.3 13.9 72.2 64 65 A V < - 0 0 4 -3,-1.7 -1,-0.3 1,-0.2 -60,-0.2 -0.782 32.1-177.4 -94.8 128.9 -8.4 16.1 69.8 65 66 A D S S+ 0 0 54 -62,-2.0 24,-2.2 -2,-0.5 2,-0.4 0.860 72.9 18.0 -87.9 -47.7 -8.3 19.8 70.6 66 67 A I E -bd 4 89A 0 -63,-1.7 -61,-2.1 22,-0.2 2,-0.5 -0.997 62.3-170.3-131.4 132.0 -6.3 21.0 67.5 67 68 A A E -bd 5 90A 0 22,-1.9 24,-2.4 -2,-0.4 2,-0.6 -0.978 7.5-159.9-122.0 117.8 -5.7 19.3 64.2 68 69 A L E -bd 6 91A 1 -63,-2.4 -61,-2.6 -2,-0.5 2,-0.5 -0.866 17.2-159.6 -85.7 119.5 -3.2 20.7 61.6 69 70 A F E +bd 7 92A 0 22,-2.2 24,-2.4 -2,-0.6 25,-0.2 -0.892 32.3 149.2-102.4 124.0 -4.0 19.2 58.1 70 71 A S + 0 0 22 -63,-2.7 -56,-0.3 -2,-0.5 -59,-0.2 -0.449 37.8 112.6-140.8 75.0 -1.5 19.1 55.3 71 72 A A S > S- 0 0 32 1,-0.3 4,-0.6 -58,-0.1 3,-0.1 -0.034 86.9 -81.6-129.7 28.0 -2.6 16.0 53.4 72 73 A G H >> - 0 0 42 1,-0.2 4,-1.2 2,-0.1 3,-0.9 0.247 52.1 -78.7 79.2 151.7 -3.9 17.4 50.1 73 74 A S H 3> S+ 0 0 53 1,-0.3 4,-1.7 2,-0.2 -1,-0.2 0.704 126.8 60.9 -62.1 -21.6 -7.3 18.9 49.5 74 75 A S H 3> S+ 0 0 73 2,-0.2 4,-1.6 1,-0.2 -1,-0.3 0.899 103.4 47.4 -69.6 -44.7 -8.9 15.5 49.2 75 76 A T H S+ 0 0 5 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.844 108.1 52.4 -61.7 -33.8 -15.8 18.0 58.9 82 83 A Y H > S+ 0 0 51 -3,-0.4 4,-1.4 -4,-0.3 -2,-0.2 0.882 107.1 52.3 -67.0 -38.8 -15.7 14.9 61.0 83 84 A A H <>S+ 0 0 0 -4,-1.7 5,-2.2 1,-0.2 4,-0.5 0.913 109.1 49.8 -61.4 -42.7 -12.9 16.5 63.2 84 85 A V H ><5S+ 0 0 5 -4,-2.1 3,-1.2 1,-0.2 265,-0.4 0.893 107.9 53.5 -60.9 -41.5 -15.2 19.5 63.7 85 86 A K H 3<5S+ 0 0 150 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.783 106.4 54.4 -63.7 -28.9 -18.1 17.2 64.7 86 87 A A T 3<5S- 0 0 35 -4,-1.4 -23,-0.4 -3,-0.2 -1,-0.3 0.540 127.8 -98.1 -83.0 -9.6 -15.8 15.7 67.3 87 88 A G T < 5S+ 0 0 14 -3,-1.2 -3,-0.2 -4,-0.5 2,-0.2 0.655 75.3 141.2 100.0 22.6 -15.0 19.1 68.8 88 89 A V < - 0 0 0 -5,-2.2 2,-0.6 -8,-0.1 -1,-0.3 -0.587 50.3-135.4 -90.4 150.5 -11.6 19.9 67.1 89 90 A V E -d 66 0A 0 -24,-2.2 -22,-1.9 -2,-0.2 2,-0.4 -0.968 30.0-154.2 -98.1 116.3 -10.4 23.3 65.8 90 91 A V E -de 67 121A 0 30,-3.1 32,-2.7 -2,-0.6 2,-0.6 -0.777 15.4-164.7 -94.3 130.5 -8.9 22.5 62.4 91 92 A V E -de 68 122A 0 -24,-2.4 -22,-2.2 -2,-0.4 2,-0.5 -0.972 19.7-158.4-108.3 110.4 -6.2 24.6 60.8 92 93 A D E -de 69 123A 0 30,-2.5 32,-3.5 -2,-0.6 -22,-0.1 -0.806 20.9-171.7 -98.2 125.0 -6.2 23.5 57.1 93 94 A N + 0 0 20 -24,-2.4 -23,-0.1 -2,-0.5 2,-0.1 0.457 63.8 87.5 -90.3 -2.9 -3.1 24.1 54.9 94 95 A T S S- 0 0 11 -25,-0.2 3,-0.3 -22,-0.1 30,-0.2 -0.406 83.1-117.1 -94.6 174.5 -5.0 23.0 51.7 95 96 A S S > S+ 0 0 48 1,-0.2 3,-0.8 -2,-0.1 4,-0.4 0.522 86.6 93.2 -89.4 -8.0 -7.1 25.0 49.3 96 97 A Y T 3 S+ 0 0 136 1,-0.3 3,-0.4 2,-0.1 -1,-0.2 0.880 95.0 28.8 -59.7 -50.5 -10.4 23.2 49.7 97 98 A F T > S+ 0 0 10 -3,-0.3 3,-1.4 1,-0.2 -1,-0.3 0.378 92.1 102.2 -92.3 1.8 -12.1 25.4 52.4 98 99 A R T < S+ 0 0 9 -3,-0.8 -1,-0.2 1,-0.3 -2,-0.1 0.746 83.9 41.5 -62.7 -30.3 -10.3 28.7 51.5 99 100 A Q T 3 S+ 0 0 97 -3,-0.4 -1,-0.3 -4,-0.4 -2,-0.1 0.122 84.3 116.3-109.4 21.3 -13.2 30.3 49.6 100 101 A N X - 0 0 43 -3,-1.4 3,-1.5 1,-0.1 -3,-0.0 -0.762 62.6-143.7 -83.5 129.0 -15.9 29.3 52.0 101 102 A P T 3 S+ 0 0 122 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.712 101.7 59.3 -67.9 -17.9 -17.5 32.4 53.6 102 103 A D T 3 S+ 0 0 60 251,-0.1 17,-0.7 1,-0.1 19,-0.3 0.447 97.2 73.9 -84.2 -0.7 -17.8 30.3 56.9 103 104 A V S < S- 0 0 2 -3,-1.5 19,-0.2 -6,-0.2 2,-0.1 -0.944 77.5-137.1-120.4 113.0 -14.0 29.8 57.0 104 105 A P - 0 0 16 0, 0.0 19,-2.4 0, 0.0 2,-0.6 -0.456 11.7-149.6 -62.7 135.2 -11.5 32.6 57.9 105 106 A L B -f 123 0A 2 17,-0.2 2,-0.4 -2,-0.1 19,-0.2 -0.949 31.7-164.7-113.0 111.3 -8.5 32.6 55.6 106 107 A V + 0 0 0 17,-2.2 230,-0.1 -2,-0.6 6,-0.1 -0.865 45.4 172.6-130.6 130.6 -5.7 33.9 57.8 107 108 A V >> - 0 0 0 -2,-0.4 3,-2.6 123,-0.1 4,-2.1 -0.987 38.0-139.1-114.5 110.3 -2.2 35.4 58.1 108 109 A P H 3> S+ 0 0 14 0, 0.0 4,-0.7 0, 0.0 5,-0.1 0.710 97.9 51.3 -44.2 -33.8 -1.9 36.3 61.8 109 110 A E H 34 S+ 0 0 34 2,-0.1 -3,-0.0 1,-0.1 168,-0.0 0.622 120.8 33.1 -79.9 -15.3 -0.1 39.6 61.2 110 111 A V H <4 S+ 0 0 18 -3,-2.6 3,-0.2 2,-0.0 -1,-0.1 0.835 134.1 9.7-108.9 -52.6 -2.7 40.8 58.8 111 112 A N H >< + 0 0 3 -4,-2.1 3,-1.7 1,-0.1 4,-0.4 -0.168 67.5 140.9-132.9 42.3 -6.2 39.5 59.7 112 113 A A G >< + 0 0 16 -4,-0.7 3,-1.7 1,-0.3 4,-0.3 0.841 69.8 68.9 -49.6 -38.8 -6.0 37.9 63.1 113 114 A H G > S+ 0 0 96 1,-0.3 3,-1.3 2,-0.2 4,-0.3 0.722 84.4 68.6 -55.0 -29.0 -9.4 39.4 63.9 114 115 A A G X S+ 0 0 20 -3,-1.7 3,-0.9 1,-0.3 -1,-0.3 0.754 86.3 70.6 -64.4 -26.8 -11.2 37.0 61.4 115 116 A L G X S+ 0 0 0 -3,-1.7 3,-1.6 -4,-0.4 -1,-0.3 0.761 80.9 74.8 -55.7 -32.6 -10.3 34.1 63.7 116 117 A D G < S+ 0 0 83 -3,-1.3 -1,-0.2 -4,-0.3 -2,-0.2 0.803 98.5 42.9 -58.2 -33.7 -12.9 35.3 66.3 117 118 A A G < S+ 0 0 78 -3,-0.9 -1,-0.3 -4,-0.3 -2,-0.1 -0.027 83.2 144.4-104.9 30.3 -15.9 34.2 64.3 118 119 A H < - 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