==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 05-SEP-08 3EEQ . COMPND 2 MOLECULE: PUTATIVE COBALAMIN BIOSYNTHESIS PROTEIN G . SOURCE 2 ORGANISM_SCIENTIFIC: SULFOLOBUS SOLFATARICUS; . AUTHOR J.B.BONANNO,M.GILMORE,K.T.BAIN,S.CHANG,R.ROMERO,S.WASSERMAN, . 615 11 5 0 5 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28529.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 448 72.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 89 14.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 56 9.1 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 . 2 0.3 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 . 53 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 69 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 157 25.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 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 1 1 2 2 2 2 2 4 0 0 1 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 1 5 8 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 . 0 0 2 2 2 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 ANTIPARALLEL BRIDGES PER LADDER . 2 0 2 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 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 8 A S >> 0 0 91 0, 0.0 3,-1.0 0, 0.0 4,-0.9 0.000 360.0 360.0 360.0 142.7 63.8 -7.3 -2.0 2 9 A L G >4 + 0 0 56 1,-0.3 3,-0.9 2,-0.2 4,-0.2 0.855 360.0 61.0 -54.7 -38.8 63.2 -6.2 1.6 3 10 A I G >4 S+ 0 0 4 1,-0.3 3,-1.0 2,-0.2 -1,-0.3 0.873 104.0 48.5 -60.8 -36.5 59.8 -7.7 1.5 4 11 A E G <4 S+ 0 0 39 -3,-1.0 -1,-0.3 1,-0.2 -2,-0.2 0.629 103.4 63.8 -72.3 -17.6 61.3 -11.3 0.9 5 12 A N G << S+ 0 0 62 -4,-0.9 2,-1.8 -3,-0.9 -1,-0.2 0.426 71.5 100.8 -88.6 6.3 63.7 -10.6 3.7 6 13 A L X + 0 0 12 -3,-1.0 3,-1.4 -4,-0.2 49,-0.1 -0.604 50.5 171.0 -87.1 79.1 60.8 -10.4 6.2 7 14 A W T 3 + 0 0 12 -2,-1.8 291,-2.2 1,-0.3 -1,-0.2 0.804 69.8 49.2 -73.3 -32.2 61.5 -13.9 7.3 8 15 A R T 3 S- 0 0 70 289,-0.2 -1,-0.3 1,-0.2 289,-0.1 0.365 112.8-131.2 -88.7 6.4 59.1 -14.1 10.3 9 16 A G < - 0 0 0 -3,-1.4 46,-2.1 45,-0.2 47,-1.4 0.031 14.7 -64.5 87.8 175.4 56.4 -12.8 8.0 10 17 A I E -ab 37 56A 0 26,-2.1 28,-1.9 45,-0.2 2,-0.5 -0.936 33.8-151.3-112.0 126.3 53.7 -10.2 7.7 11 18 A C E -ab 38 57A 0 45,-2.8 47,-2.9 -2,-0.5 2,-0.5 -0.909 8.5-159.6 -98.6 123.0 50.6 -10.1 9.9 12 19 A I E -ab 39 58A 0 26,-2.7 28,-3.1 -2,-0.5 2,-0.5 -0.920 8.2-171.6-100.7 128.3 47.5 -8.6 8.3 13 20 A I E -ab 40 59A 0 45,-2.6 47,-2.6 -2,-0.5 2,-0.3 -0.992 4.2-177.8-121.8 118.9 44.8 -7.4 10.8 14 21 A S E -ab 41 60A 1 26,-1.8 28,-2.7 -2,-0.5 29,-0.3 -0.871 15.2-168.4-112.3 156.2 41.4 -6.4 9.6 15 22 A A + 0 0 61 45,-1.0 2,-0.2 -2,-0.3 46,-0.1 0.561 65.5 40.8-124.4 -6.7 38.5 -5.0 11.6 16 23 A S S > S- 0 0 56 44,-0.4 4,-1.6 1,-0.1 26,-0.1 -0.669 85.5-101.2-119.8-171.0 35.4 -5.0 9.4 17 24 A E H > S+ 0 0 72 -2,-0.2 4,-1.7 2,-0.2 5,-0.1 0.901 122.4 45.0 -74.1 -48.2 33.8 -7.3 6.7 18 25 A D H > S+ 0 0 110 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.939 114.2 50.7 -59.2 -50.4 35.1 -5.4 3.7 19 26 A A H > S+ 0 0 0 1,-0.2 4,-2.7 2,-0.2 -2,-0.2 0.929 106.4 55.4 -49.7 -47.2 38.5 -5.1 5.4 20 27 A F H X S+ 0 0 54 -4,-1.6 4,-1.6 1,-0.2 -1,-0.2 0.899 108.9 47.7 -56.5 -41.7 38.5 -8.9 6.0 21 28 A S H X S+ 0 0 75 -4,-1.7 4,-1.8 1,-0.2 -1,-0.2 0.871 111.4 48.8 -73.4 -41.0 37.9 -9.5 2.3 22 29 A A H X S+ 0 0 7 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.877 109.8 54.8 -53.7 -39.6 40.7 -7.0 1.3 23 30 A G H X S+ 0 0 0 -4,-2.7 4,-2.2 -5,-0.2 -2,-0.2 0.833 105.4 51.1 -70.3 -33.2 43.0 -8.8 3.8 24 31 A E H X S+ 0 0 64 -4,-1.6 4,-2.5 2,-0.2 -1,-0.2 0.915 110.8 49.0 -68.9 -44.3 42.3 -12.2 2.2 25 32 A T H X S+ 0 0 60 -4,-1.8 4,-1.8 2,-0.2 -2,-0.2 0.941 112.7 47.1 -57.0 -50.0 43.2 -10.8 -1.2 26 33 A I H X S+ 0 0 0 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.906 111.9 52.0 -59.4 -44.3 46.4 -9.3 0.2 27 34 A K H X S+ 0 0 41 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.903 107.6 50.0 -56.9 -50.4 47.2 -12.5 1.9 28 35 A E H X S+ 0 0 114 -4,-2.5 4,-1.3 1,-0.2 -1,-0.2 0.833 110.4 51.4 -60.0 -35.8 46.8 -14.7 -1.3 29 36 A K H X S+ 0 0 80 -4,-1.8 4,-0.6 -5,-0.2 -1,-0.2 0.872 108.6 50.1 -70.4 -36.2 49.1 -12.3 -3.2 30 37 A L H ><>S+ 0 0 0 -4,-1.9 3,-2.2 1,-0.2 5,-1.8 0.960 104.4 58.1 -65.6 -46.6 51.8 -12.5 -0.6 31 38 A K H ><5S+ 0 0 91 -4,-2.3 3,-2.0 1,-0.3 -1,-0.2 0.874 98.2 63.9 -45.6 -44.6 51.7 -16.3 -0.6 32 39 A S H 3<5S+ 0 0 82 -4,-1.3 -1,-0.3 1,-0.3 -2,-0.2 0.783 105.4 41.7 -46.1 -36.4 52.5 -16.1 -4.3 33 40 A F T <<5S- 0 0 90 -3,-2.2 -1,-0.3 -4,-0.6 -2,-0.2 0.215 119.6-110.3-105.3 12.3 55.9 -14.5 -3.6 34 41 A E T < 5 + 0 0 108 -3,-2.0 -3,-0.2 -4,-0.3 -2,-0.1 0.894 64.5 154.5 61.8 39.7 56.5 -17.0 -0.7 35 42 A I < - 0 0 2 -5,-1.8 -1,-0.2 -6,-0.1 -2,-0.1 -0.887 50.7-118.4 -95.5 118.0 56.2 -14.2 1.9 36 43 A P + 0 0 7 0, 0.0 -26,-2.1 0, 0.0 2,-0.3 -0.398 46.0 176.8 -59.1 137.2 55.1 -15.9 5.1 37 44 A V E -a 10 0A 5 -28,-0.2 2,-0.4 17,-0.0 -26,-0.2 -0.991 23.2-173.5-153.7 128.8 51.7 -14.3 5.9 38 45 A V E -a 11 0A 11 -28,-1.9 -26,-2.7 -2,-0.3 2,-0.5 -0.997 12.7-152.7-125.8 134.9 48.9 -14.7 8.6 39 46 A H E -a 12 0A 26 -2,-0.4 2,-0.4 -28,-0.2 -26,-0.2 -0.923 15.5-176.5-106.8 121.3 45.6 -12.9 8.5 40 47 A Y E -a 13 0A 48 -28,-3.1 -26,-1.8 -2,-0.5 2,-0.2 -0.943 27.4-129.1-113.4 136.0 43.8 -12.2 11.8 41 48 A R E > -a 14 0A 116 -2,-0.4 3,-0.6 -28,-0.2 4,-0.3 -0.588 32.8-119.7 -63.5 141.6 40.4 -10.7 12.4 42 49 A Y G > S+ 0 0 86 -28,-2.7 3,-1.5 1,-0.2 -27,-0.1 0.866 114.4 65.6 -56.3 -33.8 41.1 -8.0 15.0 43 50 A K G 3 S+ 0 0 96 -29,-0.3 -1,-0.2 1,-0.3 -28,-0.1 0.906 108.6 38.5 -51.1 -43.4 38.6 -9.9 17.3 44 51 A D G < S+ 0 0 115 -3,-0.6 2,-0.7 2,-0.0 -1,-0.3 0.388 96.1 112.8 -85.6 2.6 41.2 -12.8 17.4 45 52 A A < - 0 0 16 -3,-1.5 2,-1.1 -4,-0.3 3,-0.2 -0.665 45.2-170.5 -96.0 117.9 44.3 -10.6 17.6 46 53 A E >> - 0 0 114 -2,-0.7 4,-2.7 1,-0.2 3,-0.6 -0.798 13.5-176.5 -93.0 95.9 46.6 -10.3 20.5 47 54 A I H 3> S+ 0 0 12 -2,-1.1 4,-3.0 1,-0.3 -1,-0.2 0.854 76.1 64.2 -63.2 -34.0 48.5 -7.3 19.1 48 55 A E H 34 S+ 0 0 105 1,-0.2 4,-0.4 2,-0.2 -1,-0.3 0.921 112.2 33.7 -58.2 -42.8 50.9 -7.4 22.0 49 56 A T H X4 S+ 0 0 31 -3,-0.6 3,-1.3 2,-0.2 4,-0.4 0.917 115.2 55.7 -84.4 -38.8 52.1 -10.8 21.1 50 57 A I H >X S+ 0 0 8 -4,-2.7 3,-1.9 1,-0.2 4,-1.2 0.911 99.3 64.7 -50.7 -41.6 51.8 -10.3 17.3 51 58 A W T 3< S+ 0 0 22 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.719 107.2 40.5 -56.3 -28.7 54.1 -7.2 17.7 52 59 A K T <4 S+ 0 0 136 -3,-1.3 -1,-0.3 -4,-0.4 -2,-0.2 0.458 115.5 50.5 -98.8 -3.5 57.0 -9.4 18.8 53 60 A a T <4 S+ 0 0 5 -3,-1.9 2,-0.3 -4,-0.4 -2,-0.2 0.472 100.5 54.9-119.0 -11.5 56.5 -12.3 16.4 54 61 A Y < - 0 0 6 -4,-1.2 -45,-0.2 1,-0.1 -44,-0.2 -0.886 67.6-136.2-123.2 157.1 56.2 -10.8 12.9 55 62 A D S S+ 0 0 39 -46,-2.1 27,-1.5 -2,-0.3 2,-0.3 0.628 88.8 13.2 -84.6 -16.4 58.5 -8.5 10.9 56 63 A A E -bc 10 82A 3 -47,-1.4 -45,-2.8 25,-0.2 2,-0.4 -0.995 60.8-151.8-154.8 157.0 55.6 -6.4 9.7 57 64 A I E -bc 11 83A 1 25,-1.8 27,-2.2 -2,-0.3 2,-0.6 -0.986 4.9-159.7-133.2 135.4 51.9 -5.7 10.3 58 65 A V E -bc 12 84A 2 -47,-2.9 -45,-2.6 -2,-0.4 2,-0.6 -0.979 8.8-157.5-110.5 116.1 49.5 -4.5 7.7 59 66 A F E -bc 13 85A 0 25,-2.8 27,-2.7 -2,-0.6 2,-0.8 -0.870 1.4-159.4 -91.5 126.7 46.3 -2.9 9.3 60 67 A V E +bc 14 86A 0 -47,-2.6 -45,-1.0 -2,-0.6 -44,-0.4 -0.870 57.5 78.7-103.9 95.4 43.5 -3.0 6.8 61 68 A M S S- 0 0 23 25,-0.8 -2,-0.1 -2,-0.8 25,-0.1 -0.932 92.7 -45.2-178.9 173.9 41.2 -0.3 8.2 62 69 A A >> - 0 0 50 -2,-0.3 4,-1.4 372,-0.2 3,-0.7 -0.357 56.8-118.0 -60.0 141.9 40.8 3.5 8.3 63 70 A L H 3> S+ 0 0 3 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.829 110.4 64.6 -52.0 -34.3 44.1 5.1 9.1 64 71 A E H 3> S+ 0 0 41 1,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.895 103.7 44.0 -62.2 -46.2 42.7 6.6 12.3 65 72 A G H <> S+ 0 0 12 -3,-0.7 4,-2.1 1,-0.2 -1,-0.3 0.822 110.0 56.4 -66.3 -32.9 42.1 3.2 13.9 66 73 A A H X S+ 0 0 0 -4,-1.4 4,-2.7 2,-0.2 -2,-0.2 0.888 106.8 49.2 -69.4 -36.3 45.5 2.0 12.8 67 74 A T H X S+ 0 0 15 -4,-2.2 4,-3.1 2,-0.2 5,-0.2 0.930 106.0 57.2 -70.9 -41.7 47.3 4.8 14.5 68 75 A R H X S+ 0 0 156 -4,-1.8 4,-1.3 1,-0.2 -2,-0.2 0.966 112.2 41.7 -42.2 -64.5 45.3 4.2 17.7 69 76 A I H >X S+ 0 0 6 -4,-2.1 4,-1.1 1,-0.2 3,-0.6 0.927 112.5 54.6 -56.8 -44.0 46.6 0.7 17.8 70 77 A V H >X S+ 0 0 8 -4,-2.7 4,-2.6 1,-0.2 3,-1.0 0.943 104.0 54.2 -58.7 -41.9 50.1 1.8 16.7 71 78 A b H 3< S+ 0 0 51 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.788 100.6 60.2 -67.4 -24.9 50.4 4.2 19.6 72 79 A K H << S+ 0 0 128 -4,-1.3 -1,-0.3 -3,-0.6 -2,-0.2 0.864 120.9 23.6 -58.7 -39.7 49.6 1.6 22.2 73 80 A Y H << S+ 0 0 64 -4,-1.1 2,-0.7 -3,-1.0 3,-0.3 0.644 82.9 112.6-112.0 -19.7 52.6 -0.5 21.2 74 81 A A < + 0 0 44 -4,-2.6 3,-0.1 -5,-0.2 -4,-0.0 -0.409 35.1 129.3 -66.0 109.4 55.3 1.7 19.4 75 82 A K + 0 0 93 -2,-0.7 2,-0.5 1,-0.2 -1,-0.2 0.612 54.4 52.5-133.6 -29.7 58.2 1.5 22.0 76 83 A S >> - 0 0 35 -3,-0.3 4,-2.9 1,-0.1 3,-0.6 -0.869 46.1-172.3-128.8 103.5 61.4 0.5 20.3 77 84 A K T 34 S+ 0 0 79 -2,-0.5 -1,-0.1 1,-0.2 23,-0.1 0.842 96.2 47.6 -54.3 -33.7 62.7 2.3 17.2 78 85 A T T 34 S+ 0 0 44 1,-0.1 -1,-0.2 46,-0.1 47,-0.2 0.695 126.0 24.2 -82.3 -23.8 65.4 -0.5 17.0 79 86 A E T <4 S+ 0 0 63 -3,-0.6 -2,-0.2 2,-0.1 -1,-0.1 0.528 87.8 111.2-122.3 -8.4 63.1 -3.5 17.5 80 87 A D < - 0 0 9 -4,-2.9 2,-0.1 1,-0.1 -28,-0.1 -0.342 69.4-108.4 -69.3 151.3 59.5 -2.6 16.4 81 88 A P - 0 0 6 0, 0.0 -25,-0.2 0, 0.0 2,-0.2 -0.468 38.4-102.6 -65.5 146.6 57.9 -4.2 13.3 82 89 A A E -c 56 0A 2 -27,-1.5 -25,-1.8 19,-0.1 2,-0.4 -0.506 43.5-150.8 -57.8 143.6 57.4 -1.9 10.3 83 90 A I E +cD 57 97A 0 14,-2.6 13,-3.2 -27,-0.2 14,-1.6 -0.971 18.4 177.4-130.5 137.0 53.7 -1.0 10.1 84 91 A V E -cD 58 95A 3 -27,-2.2 -25,-2.8 -2,-0.4 2,-0.4 -0.954 17.1-145.4-132.8 158.4 51.6 -0.1 7.2 85 92 A C E -cD 59 94A 0 9,-2.3 9,-2.8 -2,-0.3 2,-0.4 -0.982 13.1-174.4-124.4 136.4 48.0 0.7 6.7 86 93 A I E -cD 60 93A 0 -27,-2.7 -25,-0.8 -2,-0.4 7,-0.2 -0.994 23.4-127.5-130.7 126.4 45.9 -0.3 3.7 87 94 A D > - 0 0 8 5,-0.7 3,-1.8 -2,-0.4 -25,-0.1 -0.286 33.9-101.1 -66.4 171.1 42.3 0.9 3.2 88 95 A D T 3 S+ 0 0 57 1,-0.3 -1,-0.1 2,-0.1 -66,-0.1 0.521 123.2 51.3 -79.0 -2.4 39.7 -1.7 2.5 89 96 A K T 3 S- 0 0 151 3,-0.0 -1,-0.3 -67,-0.0 -2,-0.1 0.215 110.1-122.1-101.3 6.5 39.7 -1.0 -1.3 90 97 A I < + 0 0 32 -3,-1.8 27,-0.2 1,-0.1 -2,-0.1 0.877 68.1 140.2 56.2 34.8 43.4 -1.4 -1.4 91 98 A N + 0 0 77 1,-0.2 26,-1.2 25,-0.1 2,-0.3 0.881 64.5 24.4 -69.5 -38.6 43.6 2.2 -2.8 92 99 A Y E - e 0 117A 46 24,-0.2 -5,-0.7 2,-0.0 2,-0.5 -0.912 52.8-154.0-136.7 154.2 46.6 3.0 -0.7 93 100 A V E -De 86 118A 0 24,-2.6 26,-2.6 -2,-0.3 -7,-0.2 -0.949 25.8-178.4-124.7 108.1 49.6 1.7 1.1 94 101 A I E -D 85 0A 0 -9,-2.8 -9,-2.3 -2,-0.5 2,-0.1 -0.889 20.9-140.9-112.9 108.9 50.6 4.0 3.9 95 102 A P E +D 84 0A 10 0, 0.0 -11,-0.3 0, 0.0 3,-0.1 -0.455 23.6 173.6 -64.5 135.7 53.6 3.3 6.1 96 103 A L E + 0 0 4 -13,-3.2 2,-0.4 1,-0.4 -12,-0.2 0.621 62.7 21.7-114.6 -29.0 52.9 4.3 9.7 97 104 A L E S+D 83 0A 19 -14,-1.6 -14,-2.6 1,-0.1 -1,-0.4 -0.994 106.9 35.3-145.7 141.0 55.9 3.0 11.6 98 105 A G > > + 0 0 0 -2,-0.4 5,-2.7 -16,-0.2 3,-1.1 0.667 51.1 145.5 96.1 18.4 59.4 2.2 10.7 99 106 A G T 3 5S+ 0 0 31 1,-0.2 3,-0.3 4,-0.2 5,-0.1 0.669 76.9 58.8 -55.0 -15.5 60.2 4.8 8.0 100 107 A H T 3 5S+ 0 0 120 1,-0.2 -1,-0.2 -23,-0.1 -23,-0.0 0.808 114.1 31.9 -83.7 -29.1 63.7 4.7 9.6 101 108 A W T < 5S- 0 0 32 -3,-1.1 -1,-0.2 -24,-0.0 -2,-0.2 -0.061 133.8 -59.2-119.8 29.8 64.3 1.0 9.0 102 109 A G T >>5S+ 0 0 15 -3,-0.3 4,-2.2 -4,-0.2 3,-0.7 0.319 87.2 122.7 122.9 -14.7 62.5 0.0 5.9 103 110 A A H 3> S+ 0 0 47 -6,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.918 109.5 45.4 -64.0 -40.8 58.9 3.0 3.0 105 112 A D H <> S+ 0 0 68 -3,-0.7 4,-3.2 2,-0.2 5,-0.3 0.901 112.7 50.3 -66.8 -42.5 60.4 0.1 0.9 106 113 A I H X S+ 0 0 5 -4,-2.2 4,-3.7 2,-0.2 5,-0.3 0.968 110.6 50.0 -58.2 -48.5 57.9 -2.4 2.2 107 114 A A H X S+ 0 0 0 -4,-3.2 4,-2.4 -5,-0.2 -2,-0.2 0.917 114.3 45.4 -55.7 -47.4 55.1 0.1 1.3 108 115 A R H X S+ 0 0 105 -4,-2.2 4,-1.2 2,-0.2 -1,-0.2 0.933 116.7 43.0 -63.5 -47.2 56.5 0.4 -2.2 109 116 A E H >X S+ 0 0 46 -4,-3.2 4,-2.7 1,-0.2 3,-0.9 0.960 112.6 54.0 -65.9 -46.1 57.1 -3.3 -2.8 110 117 A L H 3X S+ 0 0 0 -4,-3.7 4,-2.6 -5,-0.3 -1,-0.2 0.925 106.3 52.4 -53.0 -47.0 53.7 -4.1 -1.2 111 118 A S H 3<>S+ 0 0 7 -4,-2.4 5,-2.4 -5,-0.3 4,-0.4 0.767 107.7 51.8 -67.6 -23.0 52.0 -1.7 -3.6 112 119 A V H X<5S+ 0 0 120 -4,-1.2 3,-1.6 -3,-0.9 -2,-0.2 0.962 109.9 48.1 -67.1 -58.9 53.7 -3.4 -6.6 113 120 A I H 3<5S+ 0 0 23 -4,-2.7 -2,-0.2 1,-0.3 -3,-0.2 0.909 123.3 35.8 -44.6 -41.1 52.5 -6.8 -5.4 114 121 A L T 3<5S- 0 0 6 -4,-2.6 -1,-0.3 -5,-0.2 -2,-0.2 0.401 102.4-124.8 -99.9 2.7 49.0 -5.3 -5.0 115 122 A N T < 5 + 0 0 148 -3,-1.6 -3,-0.2 -4,-0.4 2,-0.1 0.949 69.9 128.4 50.3 52.7 48.9 -2.9 -7.9 116 123 A S < - 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