==== 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 LYASE 29-JUN-09 3I2B . COMPND 2 MOLECULE: 6-PYRUVOYL TETRAHYDROBIOPTERIN SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR E.UGOCHUKWU,R.COCKING,E.PILKA,W.W.YUE,J.E.BRAY,A.CHAIKUAD,T. . 1651 12 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 71310.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1165 70.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 36 2.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 421 25.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 12 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 12 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 12 0.7 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 . 92 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 155 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 389 23.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 35 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 24 0 0 0 12 0 0 12 0 7 0 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 12 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 . 0 0 0 11 13 12 0 0 0 0 0 0 0 12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4 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 R 0 0 173 0, 0.0 2,-0.2 0, 0.0 535,-0.1 0.000 360.0 360.0 360.0 156.1 0.5 3.8 -46.7 2 9 A R - 0 0 75 533,-0.1 2,-0.1 1,-0.1 55,-0.1 -0.468 360.0 -89.1 -85.6 161.0 0.3 2.2 -43.2 3 10 A C - 0 0 35 -2,-0.2 53,-2.8 53,-0.1 2,-0.3 -0.369 32.1-147.0 -73.0 142.1 3.1 2.0 -40.7 4 11 A Q E +A 55 0A 30 273,-2.0 273,-0.5 51,-0.3 271,-0.4 -0.883 23.9 173.9-106.7 145.4 5.5 -1.0 -40.6 5 12 A A E -A 54 0A 2 49,-2.6 49,-1.9 -2,-0.3 2,-0.4 -0.942 30.6-122.1-149.2 159.9 6.9 -2.2 -37.3 6 13 A Q E -AB 53 273A 13 267,-2.6 267,-2.5 -2,-0.3 2,-0.4 -0.911 25.3-168.2-107.2 133.1 9.0 -4.9 -35.6 7 14 A V E -AB 52 272A 2 45,-2.6 45,-2.8 -2,-0.4 2,-0.4 -0.986 7.0-166.8-125.4 136.4 7.5 -6.9 -32.8 8 15 A S E -AB 51 271A 8 263,-3.2 263,-1.9 -2,-0.4 2,-0.4 -0.930 13.4-164.7-127.4 150.6 9.5 -9.2 -30.6 9 16 A R E -AB 50 270A 42 41,-2.2 41,-2.5 -2,-0.4 2,-0.5 -0.994 11.2-153.6-132.3 134.9 9.0 -11.9 -28.0 10 17 A R E +A 49 0A 72 259,-2.3 2,-0.3 -2,-0.4 39,-0.2 -0.943 20.9 160.3-108.8 130.5 11.5 -13.2 -25.6 11 18 A I E -A 48 0A 20 37,-2.5 37,-2.9 -2,-0.5 2,-0.3 -0.914 22.5-139.9-132.2 167.5 11.5 -16.7 -24.0 12 19 A S E -A 47 0A 60 -2,-0.3 2,-0.3 35,-0.2 35,-0.2 -0.941 13.4-176.4-127.2 159.1 14.1 -19.0 -22.4 13 20 A F E -A 46 0A 2 33,-2.3 33,-2.5 -2,-0.3 2,-0.5 -0.983 21.0-128.8-143.6 154.5 14.9 -22.6 -22.4 14 21 A S E +A 45 0A 8 -2,-0.3 69,-3.0 31,-0.2 70,-0.9 -0.910 36.8 153.1-104.6 131.1 17.3 -24.9 -20.6 15 22 A A E -Ac 44 84A 0 29,-2.2 29,-2.5 -2,-0.5 2,-0.3 -0.995 31.0-139.8-150.3 155.3 19.6 -27.3 -22.5 16 23 A S E +Ac 43 85A 2 68,-1.9 70,-2.9 -2,-0.3 71,-0.3 -0.781 29.5 158.6-109.9 157.3 22.9 -29.1 -22.3 17 24 A H E -A 42 0A 1 25,-2.4 25,-2.2 -2,-0.3 2,-0.3 -0.979 29.8-137.7-162.6 173.6 25.4 -29.6 -25.0 18 25 A R - 0 0 64 -2,-0.3 2,-0.7 23,-0.2 80,-0.5 -0.993 20.5-131.8-141.1 134.9 28.9 -30.3 -25.9 19 26 A L + 0 0 12 17,-2.5 2,-0.3 -2,-0.3 14,-0.1 -0.802 51.1 127.5 -90.3 116.0 31.0 -28.6 -28.6 20 27 A Y - 0 0 91 -2,-0.7 2,-0.3 76,-0.0 78,-0.2 -0.942 43.3-135.9-161.0 150.4 32.7 -31.1 -30.8 21 28 A S - 0 0 15 -2,-0.3 3,-0.2 4,-0.2 8,-0.1 -0.842 12.5-143.7-109.0 148.7 33.1 -31.9 -34.6 22 29 A K S S+ 0 0 101 -2,-0.3 -1,-0.1 1,-0.2 74,-0.0 0.773 103.7 56.1 -69.8 -28.9 33.0 -35.2 -36.4 23 30 A F S S+ 0 0 85 314,-0.2 2,-0.2 2,-0.1 -1,-0.2 0.667 101.0 64.6 -81.1 -20.1 35.7 -33.9 -38.8 24 31 A L S S- 0 0 35 -3,-0.2 2,-0.1 313,-0.1 -3,-0.0 -0.667 79.9-118.4-105.8 160.5 38.3 -33.0 -36.1 25 32 A S > - 0 0 55 -2,-0.2 4,-2.5 1,-0.1 5,-0.2 -0.283 34.9 -96.3 -89.4 177.1 40.2 -35.3 -33.7 26 33 A D H > S+ 0 0 144 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.914 125.4 50.0 -61.9 -42.5 40.2 -35.3 -29.9 27 34 A E H > S+ 0 0 78 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.908 113.5 45.8 -59.6 -44.4 43.4 -33.2 -29.8 28 35 A E H > S+ 0 0 106 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.855 109.7 52.7 -73.2 -35.7 41.9 -30.6 -32.2 29 36 A N H X S+ 0 0 6 -4,-2.5 4,-2.6 2,-0.2 5,-0.4 0.899 110.5 49.1 -68.8 -36.6 38.5 -30.4 -30.5 30 37 A L H X S+ 0 0 105 -4,-1.9 4,-2.0 -5,-0.2 -2,-0.2 0.946 111.7 47.9 -66.8 -46.2 40.1 -29.7 -27.2 31 38 A K H < S+ 0 0 115 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.910 120.4 37.9 -60.6 -43.0 42.4 -26.9 -28.6 32 39 A L H < S+ 0 0 45 -4,-2.3 313,-0.3 1,-0.1 -2,-0.2 0.877 129.4 26.3 -78.6 -43.0 39.5 -25.2 -30.5 33 40 A F H >< S- 0 0 13 -4,-2.6 3,-1.5 -5,-0.2 4,-0.2 0.573 82.3-178.9-103.0 -10.6 36.6 -25.6 -28.0 34 41 A G G >< S+ 0 0 31 -4,-2.0 3,-2.2 -5,-0.4 -1,-0.2 -0.143 71.3 2.2 51.0-129.1 38.5 -25.8 -24.7 35 42 A K G > S+ 0 0 73 1,-0.3 3,-2.1 2,-0.2 -1,-0.3 0.823 125.9 68.5 -63.8 -28.8 36.2 -26.2 -21.6 36 43 A C G < S+ 0 0 29 -3,-1.5 -17,-2.5 1,-0.3 -1,-0.3 0.581 90.7 63.8 -62.3 -15.4 33.2 -26.3 -23.9 37 44 A N G < + 0 0 12 -3,-2.2 -1,-0.3 -4,-0.2 -2,-0.2 0.334 69.8 147.7 -89.3 2.9 34.5 -29.7 -25.2 38 45 A N X - 0 0 29 -3,-2.1 3,-2.6 -5,-0.2 -3,-0.1 -0.147 53.4-128.7 -42.3 120.6 34.0 -31.3 -21.7 39 46 A P T 3 S+ 0 0 84 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.819 103.9 43.0 -50.9 -41.3 33.2 -34.9 -22.6 40 47 A N T 3 S- 0 0 66 1,-0.3 -2,-0.1 876,-0.1 879,-0.1 0.398 113.9-123.4 -88.0 4.4 30.0 -35.2 -20.4 41 48 A G < - 0 0 6 -3,-2.6 806,-0.3 873,-0.1 -1,-0.3 -0.201 16.8-126.0 91.3 179.6 28.8 -31.8 -21.5 42 49 A H E -A 17 0A 0 -25,-2.2 -25,-2.4 804,-0.2 2,-0.3 -0.853 25.1-134.6-151.4-173.2 27.8 -28.5 -19.9 43 50 A G E -A 16 0A 0 832,-0.3 2,-0.3 -2,-0.3 -27,-0.2 -0.926 11.6-157.1-152.6 175.5 24.7 -26.3 -20.1 44 51 A H E -A 15 0A 5 -29,-2.5 -29,-2.2 -2,-0.3 2,-1.0 -0.998 28.5-128.7-150.0 148.7 22.8 -23.1 -20.4 45 52 A N E -A 14 0A 24 -2,-0.3 -31,-0.2 82,-0.2 2,-0.2 -0.865 45.5-155.7 -85.8 94.1 19.7 -21.2 -19.8 46 53 A Y E -A 13 0A 0 -33,-2.5 -33,-2.3 -2,-1.0 2,-0.4 -0.533 7.9-155.6 -73.5 141.0 19.3 -20.0 -23.4 47 54 A K E -AD 12 126A 19 79,-2.1 79,-3.3 -35,-0.2 2,-0.4 -0.964 9.5-167.6-113.9 138.6 17.3 -16.8 -24.0 48 55 A V E -AD 11 125A 0 -37,-2.9 -37,-2.5 -2,-0.4 2,-0.5 -0.999 9.5-166.5-127.0 128.2 15.8 -16.3 -27.5 49 56 A V E -AD 10 124A 15 75,-2.6 75,-2.5 -2,-0.4 2,-0.5 -0.983 10.3-166.1-110.0 119.3 14.3 -13.1 -28.9 50 57 A V E -AD 9 123A 0 -41,-2.5 -41,-2.2 -2,-0.5 2,-0.5 -0.920 4.1-164.7-107.6 126.3 12.3 -13.7 -32.0 51 58 A T E -AD 8 122A 6 71,-2.9 70,-2.8 -2,-0.5 71,-2.1 -0.970 7.0-176.7-116.1 129.6 11.4 -10.6 -34.1 52 59 A V E -AD 7 120A 1 -45,-2.8 -45,-2.6 -2,-0.5 2,-0.3 -0.765 9.3-157.3-113.5 164.0 8.8 -10.4 -36.7 53 60 A H E +A 6 0A 44 66,-2.5 2,-0.3 -2,-0.3 -47,-0.2 -0.948 27.0 102.6-142.7 159.7 7.9 -7.5 -39.0 54 61 A G E -A 5 0A 0 -49,-1.9 -49,-2.6 -2,-0.3 2,-0.1 -0.956 62.8 -31.9 158.5-173.3 5.1 -6.1 -41.0 55 62 A E E -A 4 0A 17 -2,-0.3 2,-0.7 -51,-0.2 -51,-0.3 -0.449 55.7-117.1 -73.2 140.9 2.3 -3.6 -41.4 56 63 A I - 0 0 8 -53,-2.8 7,-0.2 -2,-0.1 -53,-0.1 -0.746 37.2-118.1 -76.2 114.5 0.4 -2.5 -38.4 57 64 A D > - 0 0 56 5,-2.2 4,-2.2 -2,-0.7 -1,-0.1 -0.264 17.1-145.1 -55.6 128.8 -3.2 -3.7 -39.0 58 65 A P T 4 S+ 0 0 39 0, 0.0 476,-0.3 0, 0.0 178,-0.2 0.756 94.6 41.8 -78.0 -16.0 -5.4 -0.7 -39.1 59 66 A A T 4 S+ 0 0 16 474,-0.1 103,-0.3 3,-0.1 104,-0.1 0.820 128.5 26.4 -92.5 -35.2 -8.4 -2.4 -37.6 60 67 A T T 4 S- 0 0 21 2,-0.2 3,-0.1 100,-0.1 -3,-0.1 0.606 91.8-132.0-103.4 -15.5 -6.6 -4.4 -34.8 61 68 A G < + 0 0 1 -4,-2.2 2,-0.4 1,-0.2 180,-0.4 0.509 66.4 119.9 78.0 6.5 -3.4 -2.4 -34.2 62 69 A M - 0 0 21 1,-0.2 -5,-2.2 178,-0.1 -1,-0.2 -0.834 52.8-166.0-111.3 139.4 -1.2 -5.5 -34.4 63 70 A V S S- 0 0 27 1,-0.4 2,-0.3 -2,-0.4 -1,-0.2 0.848 94.6 -12.3 -73.7 -44.4 1.6 -6.6 -36.7 64 71 A M S S- 0 0 25 -3,-0.1 -1,-0.4 -10,-0.1 2,-0.4 -0.941 81.7-105.1-153.3 136.7 1.1 -10.0 -35.3 65 72 A N >> - 0 0 28 -2,-0.3 4,-1.9 -3,-0.2 3,-1.8 -0.508 23.7-139.6 -66.1 122.1 -0.9 -11.2 -32.3 66 73 A L H 3> S+ 0 0 43 -2,-0.4 4,-1.9 1,-0.3 5,-0.2 0.769 102.3 61.2 -56.0 -26.8 1.4 -12.0 -29.5 67 74 A A H 3> S+ 0 0 60 104,-0.2 4,-1.4 2,-0.2 -1,-0.3 0.837 106.3 46.5 -70.1 -30.7 -0.7 -15.1 -28.7 68 75 A D H <> S+ 0 0 79 -3,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.926 111.2 51.1 -70.9 -45.1 0.0 -16.5 -32.2 69 76 A L H X S+ 0 0 0 -4,-1.9 4,-2.0 1,-0.2 -2,-0.2 0.806 107.7 52.8 -65.2 -36.9 3.7 -15.7 -31.9 70 77 A K H X S+ 0 0 121 -4,-1.9 4,-2.5 -5,-0.2 -1,-0.2 0.910 109.6 49.6 -60.5 -44.9 3.9 -17.5 -28.5 71 78 A K H X S+ 0 0 83 -4,-1.4 4,-2.2 2,-0.2 -2,-0.2 0.948 111.3 47.5 -63.4 -45.1 2.3 -20.6 -30.1 72 79 A Y H X S+ 0 0 28 -4,-2.4 4,-2.8 1,-0.2 -1,-0.2 0.897 114.5 48.1 -58.9 -40.7 4.7 -20.6 -33.0 73 80 A M H X>S+ 0 0 1 -4,-2.0 4,-2.0 2,-0.2 5,-1.6 0.855 107.3 54.8 -70.6 -35.9 7.6 -20.2 -30.6 74 81 A E H <>S+ 0 0 89 -4,-2.5 5,-2.7 3,-0.2 -2,-0.2 0.951 116.5 38.8 -61.2 -41.4 6.3 -23.0 -28.3 75 82 A E H <5S+ 0 0 110 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.883 122.6 39.5 -78.0 -39.8 6.3 -25.3 -31.4 76 83 A A H <5S+ 0 0 2 -4,-2.8 -3,-0.2 -5,-0.2 -1,-0.2 0.731 134.9 9.7 -86.8 -19.2 9.5 -24.2 -33.0 77 84 A I T X5S+ 0 0 0 -4,-2.0 4,-2.0 -5,-0.2 5,-0.4 0.705 123.5 45.1-124.5 -61.2 11.7 -23.7 -29.9 78 85 A M H >< S+ 0 0 0 -4,-2.0 3,-0.9 3,-0.0 2,-0.3 0.739 86.4 103.3-112.2 -23.9 14.8 -27.7 -27.3 82 89 A D T 3< S- 0 0 40 -4,-2.5 -67,-0.2 -5,-0.4 3,-0.1 -0.499 98.2 -2.3 -78.0 130.8 13.6 -27.2 -23.7 83 90 A H T 3 S+ 0 0 30 -69,-3.0 2,-0.3 -2,-0.3 -1,-0.3 0.919 108.6 123.2 57.9 48.3 15.1 -29.5 -21.1 84 91 A K E < -c 15 0A 62 -70,-0.9 -68,-1.9 -3,-0.9 2,-0.6 -0.898 69.8-120.3-131.7 158.7 17.0 -31.4 -23.7 85 92 A N E > -c 16 0A 9 -2,-0.3 4,-2.6 -70,-0.2 5,-0.5 -0.927 28.3-150.9 -94.4 116.8 20.5 -32.4 -24.5 86 93 A L H > S+ 0 0 0 -70,-2.9 4,-1.6 -2,-0.6 7,-0.4 0.959 88.8 46.1 -59.7 -47.8 21.0 -30.8 -27.9 87 94 A D H 4 S+ 0 0 23 -71,-0.3 -1,-0.2 1,-0.2 -70,-0.1 0.802 125.5 28.2 -72.9 -25.7 23.6 -33.3 -29.3 88 95 A M H 4 S+ 0 0 118 -3,-0.2 -1,-0.2 783,-0.1 -2,-0.2 0.672 126.9 37.8-104.3 -24.7 21.7 -36.5 -28.2 89 96 A D H < S+ 0 0 47 -4,-2.6 -3,-0.2 1,-0.2 -2,-0.2 0.536 104.3 66.2-108.4 -14.1 18.0 -35.5 -28.2 90 97 A V >< - 0 0 6 -4,-1.6 3,-1.8 -5,-0.5 4,-0.2 -0.921 68.9-154.8-112.4 106.1 17.8 -33.2 -31.2 91 98 A P G > S+ 0 0 115 0, 0.0 3,-2.4 0, 0.0 4,-0.4 0.833 90.1 65.3 -49.8 -40.0 18.4 -35.2 -34.4 92 99 A Y G > S+ 0 0 90 1,-0.3 3,-0.9 2,-0.1 -5,-0.1 0.865 99.3 52.6 -49.3 -40.4 19.5 -32.1 -36.3 93 100 A F G < S+ 0 0 2 -3,-1.8 -1,-0.3 -7,-0.4 3,-0.2 0.381 79.6 94.6 -86.0 10.1 22.6 -31.8 -34.0 94 101 A A G < S+ 0 0 69 -3,-2.4 -1,-0.2 1,-0.2 -2,-0.1 0.859 108.5 13.6 -63.6 -35.0 23.7 -35.4 -34.6 95 102 A D S < S+ 0 0 93 -3,-0.9 2,-0.4 -4,-0.4 -1,-0.2 0.034 116.5 80.4-131.8 27.0 26.0 -34.0 -37.3 96 103 A V S S- 0 0 44 -3,-0.2 2,-0.2 -9,-0.1 -76,-0.0 -0.999 83.1-114.0-131.2 135.2 26.0 -30.3 -36.7 97 104 A V - 0 0 13 -2,-0.4 2,-1.2 239,-0.2 5,-0.2 -0.519 26.1-130.5 -68.5 130.0 28.1 -28.6 -34.1 98 105 A S + 0 0 0 -80,-0.5 -1,-0.1 -2,-0.2 -12,-0.1 -0.178 51.0 148.8 -85.1 45.7 25.9 -27.1 -31.4 99 106 A T > - 0 0 3 -2,-1.2 4,-1.8 1,-0.1 3,-0.3 -0.293 64.0-108.0 -66.7 160.2 27.4 -23.6 -31.3 100 107 A T H > S+ 0 0 6 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.855 120.6 59.1 -65.0 -33.1 25.1 -20.8 -30.5 101 108 A E H > S+ 0 0 9 238,-0.4 4,-1.9 1,-0.2 -1,-0.2 0.911 108.1 44.4 -54.7 -47.9 25.4 -19.7 -34.2 102 109 A N H > S+ 0 0 22 237,-0.3 4,-2.2 -3,-0.3 -2,-0.2 0.762 110.4 54.6 -75.2 -25.8 24.0 -23.1 -35.4 103 110 A V H X S+ 0 0 0 -4,-1.8 4,-2.4 2,-0.2 -1,-0.2 0.917 107.4 50.6 -69.0 -42.4 21.3 -23.0 -32.7 104 111 A A H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.916 112.9 46.3 -61.7 -40.6 20.2 -19.5 -34.0 105 112 A V H X S+ 0 0 8 -4,-1.9 4,-2.7 2,-0.2 -1,-0.2 0.912 110.7 52.3 -67.6 -43.2 20.0 -20.9 -37.6 106 113 A Y H X S+ 0 0 19 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.912 111.8 46.5 -56.4 -48.0 18.2 -24.1 -36.4 107 114 A I H X S+ 0 0 0 -4,-2.4 4,-3.0 2,-0.2 5,-0.2 0.924 111.0 51.9 -63.7 -45.1 15.6 -21.9 -34.7 108 115 A W H X S+ 0 0 24 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.957 111.9 46.6 -51.6 -51.4 15.2 -19.6 -37.7 109 116 A D H X S+ 0 0 63 -4,-2.7 4,-1.4 1,-0.2 -2,-0.2 0.861 113.9 47.5 -65.3 -37.9 14.6 -22.6 -40.0 110 117 A N H < S+ 0 0 29 -4,-2.2 4,-0.4 2,-0.2 -1,-0.2 0.892 109.9 51.9 -67.9 -43.2 12.1 -24.2 -37.6 111 118 A L H >X S+ 0 0 0 -4,-3.0 4,-2.4 1,-0.2 3,-2.3 0.965 107.9 53.2 -58.2 -46.7 10.3 -21.0 -37.2 112 119 A Q H 3< S+ 0 0 78 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.801 103.8 56.2 -61.9 -28.3 10.1 -20.7 -41.0 113 120 A K T 3< S+ 0 0 175 -4,-1.4 -1,-0.3 1,-0.2 -2,-0.2 0.628 119.5 32.9 -71.5 -9.9 8.6 -24.2 -41.2 114 121 A V T <4 S+ 0 0 26 -3,-2.3 -2,-0.2 -4,-0.4 -1,-0.2 0.686 105.3 77.2-120.1 -25.3 5.8 -23.0 -38.9 115 122 A L S < S- 0 0 10 -4,-2.4 3,-0.1 1,-0.1 5,-0.0 -0.523 86.0 -93.4 -93.4 155.2 5.2 -19.3 -39.6 116 123 A P > - 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