==== 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 ISOMERASE 19-FEB-09 3GBE . COMPND 2 MOLECULE: SUCROSE ISOMERASE SMUA FROM PROTAMINOBACTER RUBRU . SOURCE 2 ORGANISM_SCIENTIFIC: PROTAMINOBACTER RUBRUM; . AUTHOR S.RAVAUD,X.ROBERT,R.HASER,N.AGHAJARI . 558 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21085.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 372 66.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 33 5.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 56 10.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.5 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 . 34 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 83 14.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 124 22.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 2.0 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 2 1 1 2 0 1 2 1 1 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 2 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 0 0 PARALLEL BRIDGES PER LADDER . 5 2 0 3 1 1 0 1 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 . 3 1 0 1 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 16 A T 0 0 132 0, 0.0 315,-0.1 0, 0.0 314,-0.0 0.000 360.0 360.0 360.0 106.1 24.5 15.1 61.2 2 17 A I - 0 0 73 2,-0.0 0, 0.0 0, 0.0 0, 0.0 -0.904 360.0-131.7-107.7 112.8 25.5 18.3 63.0 3 18 A P + 0 0 83 0, 0.0 2,-0.3 0, 0.0 3,-0.1 -0.316 31.0 175.4 -63.3 142.5 22.7 20.0 64.9 4 19 A K >> - 0 0 85 1,-0.1 4,-1.5 5,-0.0 3,-1.4 -0.990 41.3-122.9-146.3 147.2 22.2 23.7 64.3 5 20 A W H 3> S+ 0 0 44 -2,-0.3 4,-1.3 1,-0.3 -1,-0.1 0.862 112.9 55.6 -58.6 -34.4 19.7 26.2 65.5 6 21 A W H 34 S+ 0 0 20 1,-0.2 -1,-0.3 2,-0.2 5,-0.1 0.615 104.0 51.6 -78.1 -11.3 18.9 27.0 61.8 7 22 A K H <4 S+ 0 0 14 -3,-1.4 -1,-0.2 1,-0.1 -2,-0.2 0.811 116.2 40.8 -87.6 -33.3 18.1 23.5 60.8 8 23 A E H < S+ 0 0 84 -4,-1.5 -2,-0.2 352,-0.1 -3,-0.1 0.617 96.4 102.6 -87.3 -17.4 15.7 23.0 63.7 9 24 A A < - 0 0 4 -4,-1.3 2,-0.6 -5,-0.2 36,-0.1 -0.355 64.5-139.8 -74.2 150.5 14.1 26.5 63.4 10 25 A V - 0 0 0 34,-0.2 36,-2.5 350,-0.1 37,-1.4 -0.949 27.5-154.6-106.6 115.0 10.7 27.2 61.9 11 26 A F E -ab 47 362A 1 350,-2.7 352,-2.8 -2,-0.6 2,-0.4 -0.679 9.1-157.8 -92.2 151.4 11.1 30.4 59.9 12 27 A Y E -ab 48 363A 0 35,-2.0 37,-2.4 -2,-0.3 2,-0.6 -0.996 12.5-142.0-125.8 130.9 8.4 32.9 59.1 13 28 A Q E -ab 49 364A 3 350,-2.8 352,-2.4 -2,-0.4 2,-0.5 -0.856 13.2-165.3-100.8 122.4 8.8 35.3 56.2 14 29 A V E -a 50 0A 0 35,-2.2 37,-1.9 -2,-0.6 3,-0.1 -0.917 12.2-158.8-106.6 126.9 7.5 38.9 56.6 15 30 A Y > - 0 0 2 -2,-0.5 3,-2.3 35,-0.2 4,-0.3 -0.871 18.5-155.2 -99.9 93.6 7.1 41.1 53.5 16 31 A P G >> S+ 0 0 1 0, 0.0 3,-1.6 0, 0.0 4,-0.6 0.809 84.8 61.7 -40.4 -49.4 7.2 44.4 55.4 17 32 A R G 34 S+ 0 0 28 1,-0.3 11,-2.5 44,-0.1 420,-0.2 0.748 117.5 29.7 -51.6 -29.3 5.3 46.4 52.9 18 33 A S G <4 S+ 0 0 0 -3,-2.3 403,-2.5 9,-0.2 -1,-0.3 0.188 103.4 77.8-122.6 18.6 2.3 44.2 53.3 19 34 A F T <4 S- 0 0 0 -3,-1.6 2,-0.3 -4,-0.3 -2,-0.1 0.927 104.8 -21.4 -92.2 -67.7 2.4 42.9 56.9 20 35 A K < - 0 0 24 -4,-0.6 9,-2.5 9,-0.2 2,-0.4 -0.928 50.7-154.6-153.3 121.9 1.2 45.7 59.3 21 36 A D + 0 0 3 410,-2.3 7,-0.2 -2,-0.3 412,-0.1 -0.825 13.8 174.3 -95.2 131.5 0.9 49.5 58.9 22 37 A T S S+ 0 0 59 -2,-0.4 -1,-0.1 5,-0.3 6,-0.1 0.321 74.2 51.8-117.1 5.2 1.0 51.6 62.0 23 38 A N S S- 0 0 91 4,-0.3 409,-0.1 0, 0.0 -1,-0.1 0.331 101.9-116.4-123.7 6.0 1.0 55.1 60.6 24 39 A G S S+ 0 0 24 1,-0.1 411,-0.4 3,-0.1 408,-0.1 0.611 80.9 117.0 73.4 12.4 -1.9 55.0 58.2 25 40 A D S S- 0 0 75 2,-0.3 -1,-0.1 409,-0.2 3,-0.1 0.445 87.4-111.2 -92.1 2.2 -0.0 55.6 55.0 26 41 A G S S+ 0 0 0 1,-0.2 411,-2.4 410,-0.1 2,-0.5 0.466 85.0 108.2 85.6 3.4 -1.1 52.2 53.6 27 42 A I S S- 0 0 21 409,-0.2 -5,-0.3 410,-0.1 -4,-0.3 -0.954 70.2-120.4-119.5 128.2 2.4 50.7 53.8 28 43 A G - 0 0 0 -11,-2.5 -7,-0.3 -2,-0.5 2,-0.3 -0.271 37.7-173.1 -61.0 151.4 3.5 48.1 56.3 29 44 A D > - 0 0 3 -9,-2.5 4,-1.4 1,-0.1 3,-0.3 -0.848 39.2 -95.2-143.6 175.3 6.4 49.1 58.6 30 45 A I H > S+ 0 0 2 45,-2.3 4,-2.5 -2,-0.3 5,-0.2 0.872 120.3 56.0 -62.8 -39.7 8.9 47.9 61.2 31 46 A N H > S+ 0 0 55 44,-0.5 4,-2.3 1,-0.2 -1,-0.2 0.849 104.9 55.6 -61.6 -31.3 6.7 49.1 64.1 32 47 A G H > S+ 0 0 0 -12,-0.4 4,-1.0 -3,-0.3 -1,-0.2 0.889 106.7 48.6 -67.3 -39.8 4.0 46.9 62.7 33 48 A I H >< S+ 0 0 1 -4,-1.4 3,-0.8 -13,-0.2 4,-0.3 0.934 111.3 50.3 -63.7 -46.6 6.2 43.9 62.8 34 49 A I H >< S+ 0 0 28 -4,-2.5 3,-1.4 1,-0.2 4,-0.3 0.904 105.8 56.6 -57.1 -41.4 7.1 44.7 66.4 35 50 A E H 3< S+ 0 0 98 -4,-2.3 3,-0.3 1,-0.3 -1,-0.2 0.779 110.5 45.4 -61.5 -27.2 3.5 45.0 67.3 36 51 A K T S+ 0 0 0 -3,-1.4 4,-2.6 -4,-0.3 5,-0.2 0.860 81.5 54.5 -63.2 -35.3 5.8 39.6 67.6 38 53 A D H > S+ 0 0 102 -4,-0.3 4,-2.3 -3,-0.3 -1,-0.2 0.879 106.7 52.7 -65.9 -33.8 3.5 38.2 70.3 39 54 A Y H > S+ 0 0 28 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.949 112.1 44.4 -62.7 -50.0 1.3 36.8 67.5 40 55 A L H X>S+ 0 0 0 -4,-2.2 5,-2.0 1,-0.2 4,-1.6 0.864 112.0 52.2 -65.1 -35.9 4.3 35.2 65.8 41 56 A K H <5S+ 0 0 84 -4,-2.6 -1,-0.2 2,-0.2 -2,-0.2 0.895 108.0 52.1 -66.4 -37.6 5.5 33.8 69.2 42 57 A A H <5S+ 0 0 61 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.907 106.9 53.1 -63.8 -39.9 2.1 32.3 69.9 43 58 A L H <5S- 0 0 1 -4,-2.0 -1,-0.2 -5,-0.1 -2,-0.2 0.870 120.7-115.0 -61.6 -36.4 2.3 30.7 66.4 44 59 A G T <5 + 0 0 17 -4,-1.6 -34,-0.2 1,-0.2 -3,-0.2 0.552 52.5 167.2 111.2 13.3 5.6 29.2 67.5 45 60 A I < - 0 0 1 -5,-2.0 -1,-0.2 1,-0.1 -34,-0.2 -0.312 19.9-171.5 -63.0 136.8 8.0 31.0 65.1 46 61 A D + 0 0 43 -36,-2.5 48,-1.9 1,-0.3 2,-0.3 0.712 69.1 13.5-100.2 -26.8 11.8 30.8 65.9 47 62 A A E -ac 11 94A 0 -37,-1.4 -35,-2.0 46,-0.2 2,-0.4 -0.994 62.0-146.2-151.3 148.1 13.2 33.2 63.3 48 63 A I E -ac 12 95A 0 46,-2.3 48,-3.3 -2,-0.3 2,-0.6 -0.968 4.5-159.5-119.4 132.4 11.8 35.8 61.0 49 64 A W E -ac 13 96A 3 -37,-2.4 -35,-2.2 -2,-0.4 2,-0.4 -0.964 15.7-160.8-106.4 119.9 13.3 36.6 57.5 50 65 A I E -ac 14 97A 1 46,-2.5 48,-0.5 -2,-0.6 -35,-0.2 -0.825 16.7-122.9-100.5 142.4 12.3 40.1 56.4 51 66 A N - 0 0 3 -37,-1.9 47,-0.2 -2,-0.4 11,-0.1 -0.206 66.9 -40.8 -68.3 174.3 12.4 41.2 52.8 52 67 A P + 0 0 0 0, 0.0 -1,-0.2 0, 0.0 11,-0.1 -0.044 53.3 178.2 -45.1 131.1 14.6 44.3 52.0 53 68 A H + 0 0 0 45,-0.3 19,-2.7 -3,-0.2 2,-0.2 0.151 42.3 112.3-120.5 15.9 14.3 47.1 54.5 54 69 A Y E S-H 71 0B 3 17,-0.3 17,-0.3 8,-0.3 14,-0.1 -0.468 82.3 -74.0 -92.7 162.0 16.8 49.5 53.0 55 70 A D E +H 67 0B 29 15,-2.0 11,-2.6 12,-1.0 12,-1.5 -0.301 69.1 158.4 -53.6 125.9 16.4 53.0 51.4 56 71 A S - 0 0 3 9,-0.2 9,-0.2 10,-0.2 17,-0.1 -0.990 54.3-135.3-157.7 144.0 14.9 52.3 48.0 57 72 A P - 0 0 40 0, 0.0 4,-0.1 0, 0.0 8,-0.1 0.538 51.3-129.5 -75.6 -8.3 12.8 54.0 45.2 58 73 A N > + 0 0 21 6,-0.5 3,-1.0 2,-0.1 7,-0.1 0.771 62.7 142.6 63.3 32.7 10.8 50.8 45.2 59 74 A T T 3 S+ 0 0 49 1,-0.3 326,-0.3 5,-0.2 -1,-0.1 0.894 95.7 21.3 -63.0 -36.1 10.8 50.1 41.5 60 75 A D T > S- 0 0 8 106,-0.1 3,-2.0 4,-0.1 -1,-0.3 -0.257 122.3-100.2-123.5 43.6 11.1 46.5 42.7 61 76 A N T < S- 0 0 8 -3,-1.0 -44,-0.1 1,-0.3 -2,-0.0 0.857 93.3 -27.9 39.8 56.9 9.7 47.0 46.2 62 77 A G T 3 S+ 0 0 0 2,-0.2 -1,-0.3 -11,-0.1 -8,-0.3 0.092 116.4 97.6 102.3 -25.5 13.0 47.1 48.1 63 78 A Y S < S+ 0 0 6 -3,-2.0 2,-0.6 1,-0.2 -2,-0.1 0.372 74.4 70.5 -79.5 3.7 15.2 45.0 45.8 64 79 A D S S- 0 0 0 -10,-0.1 2,-0.5 -12,-0.1 -6,-0.5 -0.895 81.2-158.9-117.5 92.9 16.5 48.2 44.2 65 80 A I + 0 0 0 -2,-0.6 40,-2.5 38,-0.3 -9,-0.2 -0.658 24.6 176.1 -87.9 122.4 18.7 49.7 47.0 66 81 A R S S+ 0 0 79 -11,-2.6 43,-0.8 -2,-0.5 2,-0.3 0.815 80.8 13.6 -88.3 -36.4 19.5 53.4 47.0 67 82 A D E > -H 55 0B 73 -12,-1.5 3,-1.4 3,-0.2 -12,-1.0 -0.882 59.8-163.5-145.7 109.9 21.4 53.4 50.3 68 83 A Y E 3 S+ 0 0 10 -2,-0.3 -1,-0.1 1,-0.3 -12,-0.0 0.613 90.7 53.4 -66.0 -15.5 22.5 50.2 52.1 69 84 A R E 3 S+ 0 0 112 2,-0.1 2,-0.3 -15,-0.0 -1,-0.3 0.290 97.6 74.6-106.8 13.7 23.0 52.0 55.3 70 85 A K E < S- 0 0 30 -3,-1.4 -15,-2.0 -15,-0.1 2,-0.2 -0.937 78.9-117.1-125.9 146.2 19.7 53.6 55.7 71 86 A I E -H 54 0B 15 -2,-0.3 -17,-0.3 -17,-0.3 7,-0.1 -0.547 45.6 -93.1 -78.4 144.0 16.2 52.2 56.6 72 87 A M >> - 0 0 0 -19,-2.7 3,-1.6 -2,-0.2 4,-1.2 -0.390 34.8-128.4 -57.3 129.2 13.5 52.5 54.0 73 88 A K G >4 S+ 0 0 76 1,-0.3 3,-0.6 2,-0.2 -1,-0.1 0.868 107.4 50.6 -47.2 -48.5 11.7 55.7 54.7 74 89 A E G 34 S+ 0 0 62 1,-0.2 -1,-0.3 -45,-0.0 -49,-0.1 0.723 108.4 54.2 -65.6 -21.4 8.3 54.0 54.7 75 90 A Y G <4 S- 0 0 4 -3,-1.6 -45,-2.3 1,-0.3 -44,-0.5 0.695 110.6-113.6 -89.7 -19.6 9.5 51.3 57.1 76 91 A G << - 0 0 23 -4,-1.2 -1,-0.3 -3,-0.6 2,-0.2 -0.952 42.5 -37.7 131.8-147.6 10.7 53.6 59.8 77 92 A T > - 0 0 71 -2,-0.4 4,-2.0 -3,-0.1 5,-0.1 -0.657 48.7-104.7-118.8 172.0 14.0 54.5 61.5 78 93 A M H > S+ 0 0 48 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.873 123.4 56.6 -64.0 -35.0 17.3 52.9 62.5 79 94 A E H > S+ 0 0 57 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.894 104.8 52.1 -61.5 -39.2 16.0 53.0 66.1 80 95 A D H > S+ 0 0 19 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.923 110.3 48.8 -61.9 -45.0 12.9 51.1 65.0 81 96 A F H X S+ 0 0 0 -4,-2.0 4,-2.0 1,-0.2 -2,-0.2 0.909 110.5 48.8 -62.4 -45.1 15.1 48.5 63.4 82 97 A D H X S+ 0 0 68 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.881 110.0 53.7 -64.2 -33.0 17.3 48.1 66.6 83 98 A R H X S+ 0 0 96 -4,-2.1 4,-3.3 2,-0.2 5,-0.3 0.882 104.9 53.9 -68.8 -37.1 14.1 47.8 68.6 84 99 A L H X S+ 0 0 0 -4,-2.0 4,-2.6 2,-0.2 5,-0.3 0.949 109.3 48.4 -61.2 -46.3 12.9 45.0 66.4 85 100 A I H X S+ 0 0 27 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.937 114.9 46.0 -58.7 -44.9 16.2 43.1 67.1 86 101 A S H X S+ 0 0 58 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.924 113.5 46.7 -62.9 -49.6 15.8 43.8 70.8 87 102 A E H X S+ 0 0 42 -4,-3.3 4,-0.6 1,-0.2 -1,-0.2 0.846 113.8 49.7 -64.6 -33.6 12.1 42.8 71.0 88 103 A M H ><>S+ 0 0 1 -4,-2.6 5,-2.9 -5,-0.3 3,-1.2 0.932 108.3 52.4 -70.9 -43.7 12.8 39.6 69.0 89 104 A K H ><5S+ 0 0 165 -4,-2.5 3,-2.0 1,-0.3 -2,-0.2 0.895 103.5 57.8 -58.8 -38.1 15.8 38.7 71.2 90 105 A K H 3<5S+ 0 0 137 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.738 109.5 45.7 -64.0 -21.8 13.6 39.0 74.3 91 106 A R T <<5S- 0 0 49 -3,-1.2 -1,-0.3 -4,-0.6 -2,-0.2 0.171 119.0-111.6-106.0 16.2 11.3 36.4 72.8 92 107 A N T < 5S+ 0 0 130 -3,-2.0 2,-0.3 1,-0.2 -3,-0.2 0.837 73.1 140.3 57.1 34.7 14.2 34.2 71.8 93 108 A M < - 0 0 7 -5,-2.9 2,-0.4 -8,-0.1 -46,-0.2 -0.849 42.4-143.6-108.6 146.2 13.5 34.9 68.1 94 109 A R E -c 47 0A 99 -48,-1.9 -46,-2.3 -2,-0.3 2,-0.5 -0.900 9.0-136.0-112.7 141.9 16.3 35.5 65.5 95 110 A L E -c 48 0A 6 -2,-0.4 99,-1.8 97,-0.3 100,-1.5 -0.820 13.4-169.7-102.6 129.6 16.2 37.9 62.6 96 111 A M E -cd 49 195A 0 -48,-3.3 -46,-2.5 -2,-0.5 2,-0.3 -0.946 12.9-159.5-112.0 130.8 17.3 37.1 59.0 97 112 A I E -cd 50 196A 1 98,-2.4 100,-2.7 -2,-0.4 2,-0.5 -0.741 21.7-108.1-110.8 162.1 17.6 40.1 56.6 98 113 A D E - d 0 197A 0 -48,-0.5 2,-0.6 -2,-0.3 -45,-0.3 -0.766 26.2-157.1 -91.0 127.7 17.7 40.2 52.8 99 114 A V E - d 0 198A 3 98,-3.0 100,-2.6 -2,-0.5 2,-0.7 -0.938 9.2-175.2-110.2 114.8 21.1 40.9 51.2 100 115 A V + 0 0 0 -2,-0.6 -35,-0.2 98,-0.2 100,-0.1 -0.852 28.8 137.4-114.5 91.2 20.7 42.3 47.7 101 116 A I + 0 0 0 -2,-0.7 -1,-0.1 98,-0.4 3,-0.1 0.189 48.7 83.0-124.6 17.8 24.2 42.7 46.3 102 117 A N S S- 0 0 0 1,-0.3 68,-2.1 97,-0.2 2,-0.3 0.767 111.6 -1.6 -83.2 -27.7 24.0 41.4 42.7 103 118 A H B -I 169 0C 1 66,-0.3 -38,-0.3 -40,-0.1 -1,-0.3 -0.960 64.4-146.5-154.7 164.2 22.7 44.9 41.8 104 119 A T - 0 0 0 64,-2.0 -38,-0.2 -2,-0.3 2,-0.1 -0.737 39.6 -81.8-126.7 177.6 21.8 48.3 43.3 105 120 A S > - 0 0 0 -40,-2.5 3,-1.4 -2,-0.2 6,-0.3 -0.443 37.7-120.6 -73.8 155.6 19.3 51.0 42.5 106 121 A D T 3 S+ 0 0 36 60,-1.2 -1,-0.1 1,-0.3 61,-0.1 0.465 117.1 59.7 -77.0 2.7 20.3 53.3 39.6 107 122 A Q T 3 S+ 0 0 90 59,-0.3 -1,-0.3 4,-0.1 -41,-0.1 0.402 76.7 118.6-104.6 -1.4 19.9 56.0 42.3 108 123 A N S X> S- 0 0 8 -3,-1.4 4,-2.4 -43,-0.2 3,-0.7 -0.400 77.4-118.6 -65.0 140.4 22.5 54.4 44.5 109 124 A E H 3> S+ 0 0 117 -43,-0.8 4,-2.1 1,-0.3 5,-0.2 0.857 112.9 57.2 -49.8 -41.1 25.5 56.8 45.0 110 125 A W H 3> S+ 0 0 30 1,-0.2 4,-2.6 2,-0.2 -1,-0.3 0.896 110.6 42.1 -60.5 -40.1 27.8 54.3 43.4 111 126 A F H <> S+ 0 0 3 -3,-0.7 4,-2.8 -6,-0.3 -1,-0.2 0.848 108.1 58.7 -76.4 -35.5 25.8 54.2 40.2 112 127 A V H X S+ 0 0 70 -4,-2.4 4,-0.6 2,-0.2 -2,-0.2 0.933 115.1 38.5 -58.4 -41.1 25.2 58.0 40.1 113 128 A K H >X S+ 0 0 71 -4,-2.1 3,-1.0 -5,-0.2 4,-0.6 0.939 113.2 55.8 -74.1 -45.0 29.0 58.4 40.1 114 129 A S H >< S+ 0 0 0 -4,-2.6 3,-0.6 1,-0.3 6,-0.2 0.891 110.0 45.0 -52.3 -46.2 29.6 55.4 37.8 115 130 A K H 3< S+ 0 0 78 -4,-2.8 -1,-0.3 1,-0.2 -2,-0.2 0.654 93.8 81.8 -76.4 -14.0 27.3 56.8 35.1 116 131 A S H << S- 0 0 46 -3,-1.0 2,-0.3 -4,-0.6 -1,-0.2 0.787 108.1 -18.0 -65.4 -31.0 28.7 60.3 35.2 117 132 A S X< - 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0 0 4 -4,-2.7 3,-1.6 -5,-0.2 4,-0.2 -0.196 59.5-135.3 -59.4 141.6 1.8 36.4 39.5 414 429 A R G > S+ 0 0 14 1,-0.3 3,-1.9 -87,-0.2 -86,-0.3 0.779 101.0 73.0 -60.8 -28.0 4.0 37.4 42.4 415 430 A D G > S+ 0 0 0 1,-0.3 3,-1.4 2,-0.2 4,-0.5 0.745 76.6 76.8 -64.3 -21.3 1.3 39.9 43.4 416 431 A N G < S+ 0 0 0 -3,-1.6 -1,-0.3 1,-0.3 3,-0.2 0.787 101.9 40.5 -57.5 -25.8 -0.9 37.0 44.6 417 432 A S G < S+ 0 0 0 -3,-1.9 -1,-0.3 -4,-0.2 -2,-0.2 0.403 105.1 67.8-103.1 1.5 1.3 36.9 47.7 418 433 A R < + 0 0 1 -3,-1.4 -2,-0.2 -4,-0.3 -1,-0.1 0.365 65.7 114.4-105.1 5.1 1.7 40.7 48.1 419 434 A T S S- 0 0 0 -4,-0.5 21,-0.2 -3,-0.2 20,-0.1 -0.433 83.5 -77.1 -72.7 150.2 -1.9 41.7 49.1 420 435 A P - 0 0 0 0, 0.0 21,-0.3 0, 0.0 -401,-0.2 -0.137 51.8 -98.6 -51.3 139.6 -2.1 43.0 52.7 421 436 A F - 0 0 0 -403,-2.5 2,-1.2 -402,-0.1 -55,-0.1 -0.328 35.8-124.5 -57.9 136.7 -2.0 40.5 55.6 422 437 A Q + 0 0 0 1,-0.2 27,-2.2 -3,-0.1 8,-0.1 -0.711 40.8 163.5 -93.9 91.0 -5.6 39.8 56.8 423 438 A W - 0 0 8 6,-1.5 27,-2.8 -2,-1.2 2,-0.2 0.885 60.2 -25.0 -76.2 -44.3 -5.6 40.6 60.5 424 439 A D - 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