==== 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 STRUCTURAL GENOMICS 12-JUL-04 1U02 . COMPND 2 MOLECULE: TREHALOSE-6-PHOSPHATE PHOSPHATASE RELATED PROTEIN . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOPLASMA ACIDOPHILUM; . AUTHOR N.R.KRISHNAMURTHY,D.KUMARAN,S.SWAMINATHAN,S.K.BURLEY,NEW YOR . 229 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11401.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 173 75.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 26 11.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 26 11.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.4 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 1.7 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 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 69 30.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.9 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 1 1 1 0 1 0 1 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 2 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 0 PARALLEL BRIDGES PER LADDER . 0 0 1 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 1 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 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 S 0 0 92 0, 0.0 38,-2.2 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0-171.8 7.9 6.5 22.4 2 3 A L E -ab 39 173A 4 170,-1.3 172,-1.7 36,-0.2 2,-0.4 -0.717 360.0-177.7 -99.7 143.6 10.3 9.0 20.7 3 4 A I E -ab 40 174A 1 36,-1.9 38,-2.8 -2,-0.3 2,-0.5 -0.986 5.7-167.5-139.7 126.0 10.7 12.7 21.2 4 5 A F E -ab 41 175A 1 170,-3.1 172,-2.3 -2,-0.4 2,-0.5 -0.967 11.7-173.2-115.2 119.2 13.0 14.9 19.2 5 6 A L E -ab 42 176A 0 36,-3.1 38,-2.7 -2,-0.5 172,-0.2 -0.956 18.7-141.2-122.0 127.5 13.6 18.4 20.7 6 7 A D E -a 43 0A 7 170,-2.0 38,-0.2 -2,-0.5 5,-0.1 -0.396 17.1-151.0 -71.7 159.5 15.5 21.3 19.1 7 8 A Y >>> + 0 0 0 36,-0.5 4,-2.8 3,-0.2 3,-1.8 0.872 67.7 61.7 -99.3 -73.3 17.5 23.2 21.7 8 9 A D B 345S+h 12 0B 30 1,-0.3 170,-0.3 2,-0.2 6,-0.1 -0.381 122.9 2.2 -63.4 126.6 18.0 26.9 20.8 9 10 A G T 345S+ 0 0 10 3,-2.0 -1,-0.3 -2,-0.2 5,-0.1 0.396 131.9 62.3 79.3 -3.7 14.7 28.8 20.6 10 11 A T T <45S+ 0 0 0 -3,-1.8 -2,-0.2 2,-0.3 -3,-0.2 0.734 120.8 9.1-116.1 -53.4 12.8 25.7 21.6 11 12 A L T <5S+ 0 0 0 -4,-2.8 -3,-0.2 1,-0.2 -4,-0.1 0.660 139.3 26.7-101.6 -25.2 13.9 24.7 25.1 12 13 A V B - 0 0 53 1,-0.1 3,-2.3 2,-0.0 -1,-0.2 -0.737 67.7-179.9-112.4 81.3 25.5 35.6 23.6 18 19 A P G > S+ 0 0 19 0, 0.0 3,-1.2 0, 0.0 -1,-0.1 0.686 74.9 70.0 -54.9 -20.9 24.8 31.9 22.5 19 20 A E G 3 S+ 0 0 73 1,-0.2 -2,-0.0 2,-0.1 3,-0.0 0.690 93.3 59.0 -72.2 -15.3 27.8 30.6 24.5 20 21 A E G < + 0 0 114 -3,-2.3 2,-2.7 1,-0.1 -1,-0.2 0.443 68.9 116.0 -91.7 -0.8 25.8 31.3 27.7 21 22 A S < + 0 0 9 -3,-1.2 2,-0.2 -4,-0.2 -1,-0.1 -0.141 36.3 152.4 -69.9 49.0 22.8 29.1 26.8 22 23 A Y - 0 0 120 -2,-2.7 2,-0.2 1,-0.1 33,-0.1 -0.513 52.6-103.0 -76.1 146.5 23.3 26.6 29.7 23 24 A A - 0 0 13 31,-2.3 -1,-0.1 -2,-0.2 2,-0.1 -0.500 34.7-134.5 -72.1 134.7 20.1 24.9 30.9 24 25 A D >> - 0 0 82 -2,-0.2 4,-2.3 1,-0.1 3,-0.5 -0.356 32.8 -93.0 -82.3 169.6 18.7 26.3 34.1 25 26 A A H 3> S+ 0 0 79 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.836 124.5 58.3 -50.8 -38.5 17.5 24.0 37.0 26 27 A G H 3> S+ 0 0 39 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.926 109.4 41.8 -60.2 -46.0 13.9 24.1 35.6 27 28 A L H <> S+ 0 0 0 -3,-0.5 4,-2.7 2,-0.2 5,-0.4 0.886 111.6 56.3 -69.1 -38.6 14.9 22.7 32.3 28 29 A L H X S+ 0 0 53 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.914 110.1 45.5 -59.5 -42.5 17.2 20.1 33.9 29 30 A S H X S+ 0 0 66 -4,-2.4 4,-2.5 -5,-0.2 5,-0.2 0.936 113.0 50.1 -66.3 -47.0 14.3 18.8 36.0 30 31 A L H X S+ 0 0 29 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.918 116.8 38.8 -57.9 -49.8 11.9 18.7 33.0 31 32 A I H X S+ 0 0 0 -4,-2.7 4,-2.8 2,-0.2 -1,-0.2 0.871 111.9 58.6 -71.7 -36.4 14.2 16.8 30.7 32 33 A S H < S+ 0 0 39 -4,-2.1 4,-0.5 -5,-0.4 -2,-0.2 0.933 113.1 39.9 -56.6 -46.6 15.5 14.6 33.5 33 34 A D H >X S+ 0 0 67 -4,-2.5 3,-1.3 1,-0.2 4,-0.7 0.944 114.1 53.2 -67.7 -49.3 11.9 13.5 34.1 34 35 A L H >X S+ 0 0 1 -4,-2.6 4,-2.2 1,-0.3 3,-1.3 0.876 102.4 56.8 -54.9 -44.0 11.0 13.2 30.4 35 36 A K H 3< S+ 0 0 45 -4,-2.8 -1,-0.3 1,-0.3 5,-0.2 0.676 98.8 63.2 -65.7 -16.0 14.0 11.0 29.5 36 37 A E H <4 S+ 0 0 136 -3,-1.3 -1,-0.3 -4,-0.5 -2,-0.2 0.780 115.7 28.8 -77.3 -26.6 12.8 8.5 32.1 37 38 A R H << S+ 0 0 75 -3,-1.3 2,-0.3 -4,-0.7 -2,-0.2 0.662 123.7 39.8-107.5 -21.4 9.6 7.9 30.2 38 39 A F S < S- 0 0 37 -4,-2.2 2,-1.3 -35,-0.0 -36,-0.2 -0.967 82.9-109.8-133.1 148.3 10.5 8.6 26.6 39 40 A D E -a 2 0A 69 -38,-2.2 -36,-1.9 -2,-0.3 2,-0.4 -0.640 53.1-158.6 -73.1 100.6 13.5 7.9 24.3 40 41 A T E -a 3 0A 4 -2,-1.3 20,-1.7 -5,-0.2 2,-0.4 -0.737 18.6-175.4 -96.8 133.6 14.6 11.5 24.2 41 42 A Y E -ac 4 60A 20 -38,-2.8 -36,-3.1 -2,-0.4 2,-0.5 -0.983 17.4-148.9-125.5 132.2 16.8 13.1 21.6 42 43 A I E -ac 5 61A 0 18,-2.1 20,-2.8 -2,-0.4 2,-0.5 -0.880 18.7-163.5 -94.8 128.3 18.1 16.7 21.5 43 44 A V E +ac 6 62A 3 -38,-2.7 -36,-0.5 -2,-0.5 2,-0.3 -0.967 26.7 141.6-117.6 118.7 18.4 17.7 17.8 44 45 A T - 0 0 1 18,-2.6 21,-2.7 -2,-0.5 22,-0.4 -0.908 62.2-123.8-150.1 171.6 20.5 20.7 17.2 45 46 A G S S+ 0 0 12 19,-0.3 18,-0.1 -2,-0.3 -1,-0.1 0.501 86.4 100.3 -94.7 -8.7 23.1 22.5 15.1 46 47 A R S S- 0 0 13 1,-0.1 18,-2.2 17,-0.1 19,-0.2 -0.209 81.4-103.4 -69.5 166.8 25.3 22.7 18.2 47 48 A S > - 0 0 5 16,-0.2 4,-2.2 17,-0.1 5,-0.2 -0.429 26.0-111.6 -88.1 166.2 28.1 20.3 18.8 48 49 A P H > S+ 0 0 2 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.855 119.5 57.8 -66.6 -33.3 28.0 17.4 21.2 49 50 A E H > S+ 0 0 79 2,-0.2 4,-1.2 1,-0.2 5,-0.2 0.889 108.5 46.6 -64.1 -37.9 30.5 19.2 23.4 50 51 A E H > S+ 0 0 10 2,-0.2 4,-2.9 1,-0.2 3,-0.4 0.964 115.3 41.8 -68.8 -53.8 28.2 22.1 23.7 51 52 A I H X S+ 0 0 0 -4,-2.2 4,-3.4 1,-0.2 -2,-0.2 0.891 110.2 60.2 -62.1 -37.4 25.0 20.2 24.5 52 53 A S H < S+ 0 0 29 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.848 114.7 33.7 -59.6 -37.1 26.9 18.0 26.9 53 54 A R H < S+ 0 0 118 -4,-1.2 -1,-0.2 -3,-0.4 -2,-0.2 0.833 119.6 50.8 -88.2 -32.6 27.9 20.9 29.0 54 55 A F H < S+ 0 0 2 -4,-2.9 -31,-2.3 1,-0.3 -2,-0.2 0.911 130.1 18.3 -66.2 -43.3 24.7 22.9 28.5 55 56 A L S < S- 0 0 1 -4,-3.4 2,-2.9 -5,-0.2 -1,-0.3 -0.675 73.3-172.3-131.1 76.3 22.5 20.0 29.4 56 57 A P + 0 0 91 0, 0.0 2,-0.3 0, 0.0 -4,-0.1 -0.228 43.1 123.0 -71.1 58.1 24.6 17.4 31.3 57 58 A L S S- 0 0 42 -2,-2.9 2,-1.7 2,-0.0 -2,-0.1 -0.747 75.8 -97.9-116.0 163.9 21.9 14.7 31.3 58 59 A D S S+ 0 0 131 -2,-0.3 2,-0.3 -26,-0.0 0, 0.0 -0.614 76.5 121.2 -83.0 83.7 21.8 11.1 30.1 59 60 A I - 0 0 16 -2,-1.7 14,-0.2 -20,-0.1 2,-0.2 -0.946 60.7-109.2-140.9 161.3 20.0 11.7 26.8 60 61 A N E -c 41 0A 22 -20,-1.7 -18,-2.1 -2,-0.3 2,-0.3 -0.499 33.8-162.8 -88.1 160.9 20.8 11.0 23.1 61 62 A X E -cD 42 70A 4 9,-1.8 9,-2.4 -20,-0.3 2,-0.6 -0.999 24.7-154.0-151.8 145.5 21.6 13.8 20.6 62 63 A I E -cD 43 69A 0 -20,-2.8 -18,-2.6 -2,-0.3 3,-0.3 -0.977 35.6-174.3-113.9 110.0 21.8 14.5 16.9 63 64 A C E > > + D 0 68A 0 5,-2.9 3,-2.3 -2,-0.6 5,-1.5 -0.600 54.0 29.4-107.7 169.2 24.3 17.4 16.6 64 65 A Y G > 5S- 0 0 11 -18,-2.2 3,-1.3 1,-0.3 -19,-0.3 0.857 130.3 -65.2 52.7 37.9 25.5 19.6 13.7 65 66 A H G 3 5S- 0 0 18 -21,-2.7 94,-0.7 -3,-0.3 -1,-0.3 0.729 111.4 -36.0 58.8 21.7 22.1 19.1 12.1 66 67 A G G < 5S+ 0 0 5 -3,-2.3 -1,-0.3 -22,-0.4 -2,-0.2 0.291 109.5 111.9 117.5 -10.1 23.0 15.4 11.7 67 68 A A T < 5S+ 0 0 2 -3,-1.3 11,-2.8 -4,-0.4 14,-0.4 0.801 90.5 14.5 -65.9 -28.8 26.7 15.3 11.0 68 69 A C E < -DE 63 77A 1 -5,-1.5 -5,-2.9 9,-0.3 -2,-0.4 -0.997 66.9-166.8-148.1 143.4 27.4 13.7 14.3 69 70 A S E -DE 62 76A 11 7,-3.0 7,-3.6 -2,-0.3 2,-0.5 -0.867 15.9-143.8-126.8 159.7 25.4 12.0 17.0 70 71 A K E +DE 61 75A 55 -9,-2.4 -9,-1.8 -2,-0.3 2,-0.5 -0.949 28.1 173.8-126.5 106.4 26.1 11.0 20.6 71 72 A I E > - E 0 74A 41 3,-2.1 3,-2.4 -2,-0.5 -11,-0.1 -0.971 69.8 -12.0-119.6 124.4 24.3 7.8 21.3 72 73 A N T 3 S- 0 0 144 -2,-0.5 -1,-0.2 1,-0.3 3,-0.1 0.839 131.1 -55.4 55.9 31.7 24.8 5.9 24.6 73 74 A G T 3 S+ 0 0 54 1,-0.2 2,-0.4 -14,-0.2 -1,-0.3 0.268 110.8 126.8 87.1 -12.3 27.7 8.3 25.2 74 75 A Q E < -E 71 0A 135 -3,-2.4 -3,-2.1 1,-0.0 2,-0.8 -0.665 60.5-133.3 -87.3 129.8 29.4 7.4 22.0 75 76 A I E -E 70 0A 64 -2,-0.4 2,-0.6 -5,-0.2 -5,-0.2 -0.708 30.1-171.6 -78.8 111.1 30.4 10.1 19.5 76 77 A V E -E 69 0A 47 -7,-3.6 -7,-3.0 -2,-0.8 2,-0.3 -0.926 13.0-149.7-113.1 111.5 29.1 8.7 16.2 77 78 A Y E -E 68 0A 79 -2,-0.6 3,-0.3 -9,-0.2 2,-0.3 -0.624 17.2-149.7 -78.0 133.8 30.1 10.6 13.0 78 79 A N > + 0 0 40 -11,-2.8 3,-1.7 -2,-0.3 4,-0.0 -0.776 69.5 7.8-106.3 149.6 27.4 10.2 10.4 79 80 A N T 3 S- 0 0 135 -2,-0.3 -1,-0.2 1,-0.3 -12,-0.0 0.807 125.3 -68.4 54.9 33.1 27.9 10.2 6.6 80 81 A G T > S+ 0 0 29 -3,-0.3 3,-1.8 1,-0.1 -1,-0.3 0.797 85.7 153.6 57.8 31.5 31.7 10.1 7.1 81 82 A S G X + 0 0 0 -3,-1.7 3,-2.4 -14,-0.4 4,-0.1 0.714 56.7 78.3 -63.8 -21.2 31.7 13.6 8.5 82 83 A D G > S+ 0 0 79 1,-0.3 3,-1.5 2,-0.2 4,-0.3 0.701 76.1 76.3 -63.9 -12.6 34.9 12.9 10.4 83 84 A R G < S+ 0 0 179 -3,-1.8 -1,-0.3 1,-0.3 3,-0.3 0.722 91.6 56.4 -66.5 -19.7 36.7 13.4 7.1 84 85 A F G <> S+ 0 0 36 -3,-2.4 4,-2.1 1,-0.2 -1,-0.3 0.395 74.9 98.5 -93.1 0.7 36.1 17.1 7.7 85 86 A L H <> S+ 0 0 52 -3,-1.5 4,-1.2 1,-0.2 -1,-0.2 0.912 87.2 44.3 -56.2 -45.8 37.8 17.4 11.1 86 87 A G H > S+ 0 0 33 -4,-0.3 4,-1.9 -3,-0.3 -1,-0.2 0.852 109.7 59.5 -68.0 -31.8 41.1 18.7 9.7 87 88 A V H > S+ 0 0 16 -4,-0.3 4,-2.5 1,-0.2 -2,-0.2 0.951 104.7 45.6 -61.6 -53.1 39.2 21.1 7.5 88 89 A F H X S+ 0 0 0 -4,-2.1 4,-2.0 23,-0.3 -1,-0.2 0.794 109.0 57.3 -64.9 -25.6 37.4 23.0 10.2 89 90 A D H X S+ 0 0 63 -4,-1.2 4,-2.2 -5,-0.2 -1,-0.2 0.940 111.0 43.4 -66.9 -45.1 40.6 23.2 12.2 90 91 A R H X S+ 0 0 130 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.872 110.3 55.8 -66.7 -38.8 42.2 25.0 9.2 91 92 A I H X S+ 0 0 0 -4,-2.5 4,-1.3 2,-0.2 -1,-0.2 0.927 110.3 45.1 -60.6 -44.6 39.2 27.2 8.6 92 93 A Y H X S+ 0 0 59 -4,-2.0 4,-2.5 2,-0.2 3,-0.4 0.928 112.7 50.9 -65.1 -45.4 39.3 28.5 12.1 93 94 A E H < S+ 0 0 104 -4,-2.2 4,-0.3 1,-0.2 -2,-0.2 0.903 114.1 44.1 -59.7 -41.0 43.1 29.0 12.0 94 95 A D H < S+ 0 0 91 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.668 124.8 32.6 -80.5 -15.4 42.8 31.0 8.7 95 96 A T H >< S+ 0 0 0 -4,-1.3 3,-2.2 -3,-0.4 4,-0.2 0.549 86.8 93.6-118.2 -8.3 39.8 33.1 9.7 96 97 A R T >< S+ 0 0 116 -4,-2.5 3,-1.3 1,-0.3 4,-0.1 0.805 80.1 64.6 -56.5 -29.8 40.1 33.6 13.5 97 98 A S T >> S+ 0 0 57 -4,-0.3 3,-1.8 1,-0.3 4,-1.0 0.616 78.0 85.7 -70.3 -10.8 41.9 36.9 12.9 98 99 A W H <> + 0 0 24 -3,-2.2 4,-2.6 1,-0.3 -1,-0.3 0.688 69.8 78.0 -64.7 -16.4 38.8 38.4 11.3 99 100 A V H <4 S+ 0 0 66 -3,-1.3 5,-0.4 1,-0.2 -1,-0.3 0.791 101.2 39.8 -62.3 -25.8 37.6 39.3 14.7 100 101 A S H <4 S+ 0 0 82 -3,-1.8 -1,-0.2 -4,-0.1 -2,-0.2 0.779 112.2 54.8 -91.9 -30.1 40.0 42.3 14.5 101 102 A D H < S+ 0 0 79 -4,-1.0 -2,-0.2 1,-0.3 -3,-0.1 0.860 122.3 29.9 -69.2 -33.5 39.3 43.0 10.8 102 103 A F S >< S- 0 0 6 -4,-2.6 3,-2.7 3,-0.1 -1,-0.3 -0.675 90.6-146.7-127.5 76.6 35.6 43.3 11.7 103 104 A P T 3 S+ 0 0 98 0, 0.0 19,-0.6 0, 0.0 -3,-0.1 -0.135 85.8 30.5 -46.0 123.7 35.3 44.6 15.3 104 105 A G T 3 S+ 0 0 28 1,-0.5 16,-0.6 -5,-0.4 17,-0.3 -0.036 87.1 125.7 113.2 -30.5 32.2 43.0 16.9 105 106 A L < - 0 0 8 -3,-2.7 -1,-0.5 -6,-0.2 2,-0.4 -0.370 45.3-158.3 -61.1 137.9 32.4 39.8 14.9 106 107 A R E -I 117 0C 38 11,-1.9 11,-3.0 -3,-0.1 2,-0.5 -0.970 3.2-157.7-122.3 137.7 32.4 36.7 17.0 107 108 A I E -I 116 0C 24 -2,-0.4 2,-0.7 9,-0.2 9,-0.2 -0.967 1.1-162.8-121.0 120.7 33.7 33.4 15.9 108 109 A Y E -I 115 0C 35 7,-2.9 7,-2.4 -2,-0.5 2,-0.3 -0.901 13.2-151.3-106.3 111.6 32.6 30.2 17.6 109 110 A R E +I 114 0C 124 -2,-0.7 2,-0.3 5,-0.2 5,-0.2 -0.636 21.2 167.0 -85.6 136.4 34.8 27.2 16.8 110 111 A K E > -I 113 0C 15 3,-1.7 3,-1.0 -2,-0.3 -18,-0.1 -0.949 47.4-107.4-141.5 158.6 33.5 23.6 16.8 111 112 A N T 3 S+ 0 0 67 -2,-0.3 -23,-0.3 1,-0.2 -22,-0.2 0.838 118.6 22.5 -58.6 -34.4 35.0 20.4 15.5 112 113 A L T 3 S+ 0 0 1 1,-0.1 43,-0.6 -24,-0.1 2,-0.3 0.064 128.0 30.6-122.9 27.2 32.6 20.2 12.5 113 114 A A E < -IJ 110 154C 1 -3,-1.0 -3,-1.7 41,-0.2 2,-0.4 -0.939 53.5-148.6-175.3 152.4 31.6 23.8 12.1 114 115 A V E -IJ 109 153C 0 39,-1.6 39,-2.5 -2,-0.3 2,-0.5 -0.986 21.2-157.7-131.3 118.3 32.7 27.4 12.5 115 116 A L E -IJ 108 152C 25 -7,-2.4 -7,-2.9 -2,-0.4 2,-0.6 -0.870 2.6-158.0-104.0 125.8 29.9 29.9 13.3 116 117 A Y E -IJ 107 151C 0 35,-3.2 35,-2.1 -2,-0.5 2,-0.6 -0.912 8.1-159.3-103.5 118.3 30.3 33.6 12.5 117 118 A H E -IJ 106 150C 7 -11,-3.0 -11,-1.9 -2,-0.6 3,-0.3 -0.885 13.2-178.7-102.0 118.8 28.0 35.8 14.6 118 119 A L > + 0 0 12 31,-2.9 3,-1.0 -2,-0.6 32,-0.1 0.323 50.5 109.9 -97.0 8.0 27.4 39.2 13.1 119 120 A G T 3 S+ 0 0 19 30,-0.6 -1,-0.2 1,-0.3 -14,-0.1 0.843 85.6 33.3 -51.9 -43.5 25.2 40.4 15.9 120 121 A L T 3 S+ 0 0 97 -16,-0.6 -1,-0.3 -3,-0.3 -15,-0.2 0.463 100.1 108.5 -94.5 -1.0 27.6 43.0 17.5 121 122 A X S < S- 0 0 15 -3,-1.0 -17,-0.2 -17,-0.3 2,-0.1 -0.403 76.4-102.8 -79.6 150.9 29.2 43.9 14.1 122 123 A G - 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0 0 41 -2,-0.1 -2,-0.1 2,-0.1 -6,-0.0 -0.993 46.3-141.9-158.9 162.5 4.0 26.6 9.7 203 204 A H + 0 0 172 -2,-0.3 -9,-0.1 -20,-0.1 -2,-0.0 0.183 60.5 129.3-110.8 13.3 2.8 23.2 8.8 204 205 A A - 0 0 18 1,-0.1 -9,-0.2 -11,-0.1 -2,-0.1 -0.331 63.4-130.8 -67.4 150.8 3.3 21.7 12.3 205 206 A K S S+ 0 0 129 -11,-0.5 2,-0.3 -13,-0.2 -10,-0.2 0.818 92.3 30.2 -73.3 -30.0 0.3 19.9 13.8 206 207 A F E S-g 195 0A 90 -12,-2.6 -10,-2.7 2,-0.0 2,-0.4 -0.950 71.7-158.5-129.7 149.0 0.6 21.9 17.1 207 208 A H E -g 196 0A 81 -2,-0.3 2,-0.3 -12,-0.2 -10,-0.2 -0.991 7.3-176.1-135.4 132.1 1.9 25.4 17.7 208 209 A V E -g 197 0A 0 -12,-3.1 -10,-2.2 -2,-0.4 3,-0.1 -0.874 27.8-127.9-122.3 156.6 3.3 27.1 20.9 209 210 A A S S- 0 0 57 -2,-0.3 2,-0.2 -12,-0.2 -10,-0.2 0.902 75.1 -25.0 -70.3 -47.0 4.3 30.7 21.5 210 211 A D S > S- 0 0 66 -12,-0.1 4,-2.3 -13,-0.1 5,-0.1 -0.855 75.7 -74.6-153.5-172.2 7.8 30.3 23.0 211 212 A Y H > S+ 0 0 64 -2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.805 124.3 60.1 -65.3 -29.5 10.2 28.1 24.9 212 213 A I H > S+ 0 0 98 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.945 109.4 40.6 -63.9 -47.0 8.3 28.8 28.1 213 214 A E H > S+ 0 0 71 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.892 113.0 56.3 -68.1 -38.0 5.1 27.3 26.6 214 215 A X H X S+ 0 0 0 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.922 106.9 48.9 -58.5 -44.4 7.1 24.5 25.1 215 216 A R H X S+ 0 0 32 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.871 107.9 55.6 -62.7 -36.3 8.4 23.6 28.5 216 217 A K H X S+ 0 0 150 -4,-1.6 4,-2.2 2,-0.2 -1,-0.2 0.873 106.0 50.4 -64.8 -38.5 4.9 23.6 29.9 217 218 A I H X S+ 0 0 41 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.914 112.2 46.8 -66.1 -42.3 3.8 21.1 27.2 218 219 A L H X S+ 0 0 2 -4,-1.9 4,-1.8 2,-0.2 -2,-0.2 0.887 109.8 54.6 -65.4 -38.9 6.7 18.8 28.1 219 220 A K H X S+ 0 0 107 -4,-2.5 4,-1.7 1,-0.2 -2,-0.2 0.918 110.1 47.3 -59.0 -44.3 5.8 19.3 31.8 220 221 A F H X S+ 0 0 117 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.912 106.3 55.2 -65.2 -45.8 2.3 18.2 31.0 221 222 A I H X S+ 0 0 26 -4,-2.4 4,-1.5 1,-0.2 -1,-0.2 0.873 107.4 53.2 -56.3 -36.5 3.3 15.1 29.0 222 223 A E H X S+ 0 0 26 -4,-1.8 4,-1.7 1,-0.2 3,-0.4 0.943 106.3 50.2 -63.0 -50.1 5.3 14.0 32.0 223 224 A X H X S+ 0 0 112 -4,-1.7 4,-1.4 1,-0.2 -1,-0.2 0.822 105.6 59.3 -58.6 -31.9 2.4 14.3 34.4 224 225 A L H X S+ 0 0 89 -4,-2.0 4,-2.6 1,-0.2 -1,-0.2 0.911 105.0 48.4 -63.6 -43.0 0.4 12.2 31.9 225 226 A G H X S+ 0 0 14 -4,-1.5 4,-1.2 -3,-0.4 -1,-0.2 0.854 104.3 59.7 -66.2 -35.0 2.9 9.4 32.2 226 227 A V H < S+ 0 0 67 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.866 113.7 37.3 -61.1 -36.8 2.7 9.6 36.0 227 228 A Q H < S+ 0 0 168 -4,-1.4 -2,-0.2 -3,-0.2 -1,-0.2 0.877 108.0 66.1 -79.9 -41.6 -1.0 8.8 35.9 228 229 A K H < 0 0 186 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.711 360.0 360.0 -53.4 -28.1 -0.7 6.4 33.0 229 230 A K < 0 0 192 -4,-1.2 -2,-0.2 -5,-0.1 -1,-0.1 0.915 360.0 360.0 -98.1 360.0 1.3 3.9 35.1