==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TGLUTAMINE AMIDOTRANSFERASE 15-JUL-97 1AO0 . COMPND 2 MOLECULE: GLUTAMINE PHOSPHORIBOSYLPYROPHOSPHATE . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; . AUTHOR D.R.TOMCHICK,J.L.SMITH . 1820 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 63820.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1196 65.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 93 5.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 323 17.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 20 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 8 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 4 0.2 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 . 95 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 173 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 397 21.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 35 1.9 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 12 4 8 0 8 4 8 8 4 0 0 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 7 5 4 4 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 PARALLEL BRIDGES PER LADDER . 2 4 8 8 9 11 8 4 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 . 12 0 0 4 4 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 1 A C 0 0 16 0, 0.0 2,-0.3 0, 0.0 71,-0.2 0.000 360.0 360.0 360.0 161.3 21.1 2.7 87.8 2 2 A G E -A 71 0A 0 69,-1.6 69,-2.7 96,-0.1 2,-0.4 -0.970 360.0-158.8-146.8 148.9 19.7 -0.7 87.4 3 3 A V E -A 70 0A 0 -2,-0.3 187,-1.9 67,-0.2 2,-0.4 -0.989 6.5-175.6-135.5 146.5 20.6 -3.9 89.1 4 4 A F E +AB 69 189A 0 65,-2.5 65,-2.3 -2,-0.4 2,-0.3 -0.997 6.8 171.3-143.2 132.1 20.0 -7.5 88.2 5 5 A G E -AB 68 188A 0 183,-3.0 183,-3.3 -2,-0.4 2,-0.3 -0.993 6.5-178.2-139.1 155.2 20.7 -10.7 90.1 6 6 A I E -AB 67 187A 0 61,-2.4 61,-2.1 -2,-0.3 2,-0.4 -0.990 8.4-159.7-150.4 140.1 19.9 -14.3 89.6 7 7 A W E +AB 66 186A 7 179,-2.3 179,-2.1 -2,-0.3 59,-0.2 -0.992 67.8 26.4-125.7 125.0 20.7 -17.3 91.8 8 8 A G S S+ 0 0 40 57,-2.8 2,-0.3 -2,-0.4 -1,-0.2 0.905 80.3 117.0 99.6 56.5 20.7 -20.9 90.6 9 9 A H > - 0 0 31 56,-1.5 3,-2.1 -3,-0.2 -1,-0.2 -0.940 59.9-137.0-157.5 122.3 21.5 -21.0 86.9 10 10 A E T 3 S+ 0 0 165 -2,-0.3 54,-0.6 1,-0.3 56,-0.1 0.775 110.8 38.8 -44.0 -41.4 24.5 -22.5 85.0 11 11 A E B 3> S+g 64 0B 79 1,-0.2 4,-2.7 54,-0.1 3,-0.5 -0.229 73.2 141.3-109.3 36.8 24.6 -19.4 82.8 12 12 A A H <> S+ 0 0 0 -3,-2.1 4,-2.3 52,-0.8 -1,-0.2 0.884 72.9 51.6 -52.5 -37.5 23.9 -16.8 85.5 13 13 A P H > S+ 0 0 0 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.912 110.4 47.2 -71.6 -30.9 26.4 -14.4 84.1 14 14 A Q H > S+ 0 0 34 -3,-0.5 4,-2.3 2,-0.2 3,-0.3 0.978 111.8 50.5 -70.3 -50.0 25.0 -14.6 80.5 15 15 A I H X S+ 0 0 0 -4,-2.7 4,-3.8 1,-0.3 5,-0.2 0.883 109.6 52.4 -51.8 -39.0 21.5 -14.1 81.9 16 16 A T H X S+ 0 0 0 -4,-2.3 4,-3.3 -5,-0.3 5,-0.3 0.878 105.0 54.6 -67.5 -39.5 22.8 -11.1 83.8 17 17 A Y H X S+ 0 0 0 -4,-2.0 4,-2.5 -3,-0.3 -1,-0.2 0.945 115.4 40.0 -52.3 -49.2 24.3 -9.7 80.6 18 18 A Y H X S+ 0 0 6 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.971 116.2 48.7 -73.9 -44.1 20.8 -9.9 79.0 19 19 A G H X S+ 0 0 0 -4,-3.8 4,-0.6 1,-0.2 -1,-0.2 0.901 114.5 46.6 -56.5 -44.7 18.9 -8.8 82.1 20 20 A L H >< S+ 0 0 0 -4,-3.3 3,-1.3 -5,-0.2 4,-0.2 0.914 107.6 58.4 -70.2 -35.1 21.3 -5.9 82.4 21 21 A H H >< S+ 0 0 5 -4,-2.5 3,-2.0 1,-0.3 -2,-0.2 0.918 101.2 53.2 -57.2 -49.4 21.0 -5.1 78.8 22 22 A S H 3< S+ 0 0 0 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.628 113.0 46.6 -60.8 -18.0 17.2 -4.7 79.1 23 23 A L T X< S+ 0 0 0 -3,-1.3 3,-2.6 -4,-0.6 4,-0.3 0.299 77.7 111.2-101.7 7.0 18.0 -2.2 81.9 24 24 A Q G X + 0 0 0 -3,-2.0 3,-1.1 1,-0.3 -2,-0.1 0.709 66.5 67.3 -52.7 -23.6 20.7 -0.4 79.8 25 25 A H G 3 S+ 0 0 37 1,-0.3 -1,-0.3 -4,-0.2 3,-0.2 0.716 82.0 77.0 -71.1 -20.1 18.5 2.7 79.6 26 26 A R G < S- 0 0 0 -3,-2.6 -1,-0.3 1,-0.3 2,-0.2 0.616 120.7 -36.8 -63.5 -29.2 18.9 3.2 83.4 27 27 A G < - 0 0 1 -3,-1.1 46,-0.3 -4,-0.3 -1,-0.3 -0.699 42.9-154.0 174.4 156.8 22.4 4.6 82.6 28 28 A Q + 0 0 59 -2,-0.2 45,-0.2 -3,-0.2 3,-0.1 0.133 66.7 101.5-127.6 23.7 25.3 4.0 80.3 29 29 A E S S- 0 0 80 43,-2.4 19,-0.6 1,-0.2 2,-0.3 0.526 96.0 -23.1 -97.7 -2.4 28.2 5.2 82.2 30 30 A G E -CD 47 72A 0 42,-0.8 42,-1.3 17,-0.3 2,-0.3 -0.957 56.8-162.1-179.8-177.3 29.5 1.9 83.3 31 31 A A E +CD 46 71A 0 15,-2.4 15,-2.7 -2,-0.3 2,-0.3 -0.925 8.4 177.1-173.0 150.7 28.4 -1.8 83.9 32 32 A G E -CD 45 70A 0 38,-1.8 38,-1.9 -2,-0.3 2,-0.4 -0.985 14.4-156.7-161.9 151.7 29.6 -4.9 85.7 33 33 A I E -CD 44 69A 0 11,-2.9 11,-1.3 -2,-0.3 2,-0.4 -0.986 5.7-169.3-128.7 139.3 28.8 -8.5 86.5 34 34 A V E -CD 43 68A 3 34,-2.7 34,-2.1 -2,-0.4 2,-0.3 -0.989 14.5-175.8-124.1 136.2 30.1 -10.5 89.4 35 35 A A E -CD 42 67A 0 7,-3.0 7,-2.6 -2,-0.4 2,-0.4 -0.955 11.6-153.5-132.6 154.5 29.4 -14.2 89.4 36 36 A T E -CD 41 66A 0 30,-2.5 29,-3.8 -2,-0.3 30,-1.2 -0.989 16.0-170.7-131.4 139.6 30.0 -17.1 91.8 37 37 A D - 0 0 80 3,-1.5 4,-0.1 -2,-0.4 27,-0.1 0.560 68.6 -89.7 -96.2 -9.9 30.5 -20.9 91.2 38 38 A G S S+ 0 0 19 2,-0.6 3,-0.1 28,-0.1 -2,-0.0 -0.006 120.2 43.8 121.9 -23.8 30.3 -21.6 94.9 39 39 A E S S+ 0 0 150 1,-0.4 2,-0.3 53,-0.0 123,-0.2 0.750 114.2 24.8-113.5 -62.5 34.0 -21.3 95.6 40 40 A K - 0 0 156 122,-0.1 -3,-1.5 121,-0.1 -2,-0.6 -0.792 67.1-131.7-112.1 154.5 35.4 -18.2 93.8 41 41 A L E -C 36 0A 8 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.974 21.3-164.1-105.4 126.1 33.8 -15.0 92.6 42 42 A T E +C 35 0A 43 -7,-2.6 -7,-3.0 -2,-0.5 2,-0.3 -0.758 12.4 179.4 -99.2 155.5 34.6 -14.0 89.0 43 43 A A E +C 34 0A 45 -2,-0.3 2,-0.4 -9,-0.2 -9,-0.2 -0.862 20.2 178.9-161.6 122.8 34.0 -10.4 87.8 44 44 A H E +C 33 0A 50 -11,-1.3 -11,-2.9 -2,-0.3 2,-0.3 -0.973 20.8 153.4-123.0 145.2 34.2 -8.2 84.8 45 45 A K E +C 32 0A 32 -2,-0.4 -13,-0.3 -13,-0.3 2,-0.3 -0.961 6.4 157.9-157.7 148.4 33.1 -4.6 84.8 46 46 A G E -C 31 0A 10 -15,-2.7 -15,-2.4 -2,-0.3 2,-0.1 -0.928 40.4 -76.8-156.5-178.0 34.0 -1.4 82.9 47 47 A Q E S+C 30 0A 109 -17,-0.3 -17,-0.3 -2,-0.3 -18,-0.1 -0.446 87.6 29.2 -79.2 168.2 32.9 2.0 81.8 48 48 A G S S- 0 0 13 -19,-0.6 24,-0.2 -2,-0.1 -18,-0.2 -0.364 104.4 -17.6 77.6-164.5 30.5 2.6 78.9 49 49 A L > - 0 0 36 -20,-0.1 4,-1.6 -2,-0.1 5,-0.2 -0.418 66.8-104.8 -74.1 166.0 27.7 0.3 77.7 50 50 A I H > S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 -1,-0.1 0.853 124.4 47.0 -60.5 -33.7 27.4 -3.3 78.5 51 51 A T H 4 S+ 0 0 4 2,-0.2 -1,-0.2 1,-0.2 -3,-0.0 0.912 108.2 53.1 -79.3 -37.5 28.5 -4.1 75.0 52 52 A E H 4 S+ 0 0 59 1,-0.2 -1,-0.2 -6,-0.0 -2,-0.2 0.754 114.8 46.0 -60.4 -23.5 31.5 -1.7 75.1 53 53 A V H >< S+ 0 0 3 -4,-1.6 3,-0.6 1,-0.2 2,-0.5 0.869 112.0 53.4 -92.2 -33.4 32.3 -3.6 78.3 54 54 A F T 3< S+ 0 0 0 -4,-2.4 -1,-0.2 1,-0.2 4,-0.2 -0.900 111.6 26.6-113.8 136.1 31.9 -7.1 77.0 55 55 A Q T 3 S+ 0 0 82 2,-2.4 -1,-0.2 -2,-0.5 3,-0.2 0.449 118.2 67.6 71.6 27.6 33.7 -8.2 73.8 56 56 A N S < S+ 0 0 106 1,-1.3 2,-0.2 -3,-0.6 -2,-0.1 -0.310 123.0 9.4-153.1 42.9 36.1 -5.6 75.1 57 57 A G S S- 0 0 26 -13,-0.0 -2,-2.4 -11,-0.0 -1,-1.3 -0.293 110.1 -93.7 129.5 118.1 36.8 -7.8 78.0 58 58 A E > - 0 0 75 -4,-0.2 4,-0.5 -2,-0.2 3,-0.4 -0.568 18.1-159.2 -81.5 136.7 35.4 -11.3 77.7 59 59 A L T >4 S+ 0 0 11 -2,-0.3 3,-0.7 1,-0.2 -1,-0.1 0.785 94.3 69.3 -73.8 -24.4 32.0 -12.5 79.1 60 60 A S T 34 S+ 0 0 100 1,-0.2 -1,-0.2 -47,-0.0 -46,-0.0 0.813 90.3 60.5 -61.4 -37.4 33.5 -16.1 78.9 61 61 A K T 34 S+ 0 0 158 -3,-0.4 2,-0.6 2,-0.0 -1,-0.2 0.794 93.4 71.1 -56.0 -43.4 35.9 -15.3 81.8 62 62 A V << + 0 0 2 -3,-0.7 2,-0.3 -4,-0.5 -26,-0.1 -0.774 69.2 163.1 -82.8 117.6 33.1 -14.5 84.2 63 63 A K + 0 0 154 -2,-0.6 -21,-0.4 -28,-0.2 2,-0.3 -0.949 6.8 107.0-136.5 152.9 31.4 -17.8 85.0 64 64 A G B -g 11 0B 10 -54,-0.6 -52,-0.8 -2,-0.3 -27,-0.3 -0.984 62.8-101.5 169.7-168.4 29.1 -19.0 87.8 65 65 A K S S+ 0 0 48 -29,-3.8 -57,-2.8 1,-0.3 -56,-1.5 0.312 104.3 35.2-125.5 -9.7 25.7 -20.1 89.1 66 66 A G E +AD 7 36A 0 -30,-1.2 -30,-2.5 -59,-0.2 -1,-0.3 -0.980 68.2 166.4-137.6 150.0 24.8 -16.8 90.7 67 67 A A E -AD 6 35A 0 -61,-2.1 -61,-2.4 -2,-0.4 2,-0.3 -0.979 20.3-157.8-155.6 159.2 25.6 -13.3 89.7 68 68 A I E -AD 5 34A 0 -34,-2.1 -34,-2.7 -2,-0.3 2,-0.3 -0.927 17.9-174.8-132.2 147.6 24.6 -9.8 90.4 69 69 A G E -AD 4 33A 0 -65,-2.3 -65,-2.5 -2,-0.3 2,-0.4 -0.988 9.1-155.6-145.3 159.7 25.2 -7.0 87.9 70 70 A H E -AD 3 32A 1 -38,-1.9 -38,-1.8 12,-0.4 2,-0.5 -0.961 7.8-155.2-140.3 141.8 24.8 -3.3 87.9 71 71 A V E -AD 2 31A 0 -69,-2.7 -69,-1.6 -2,-0.4 2,-0.4 -0.986 25.8-145.2-119.9 120.7 24.3 -0.7 85.2 72 72 A R E - D 0 30A 47 -42,-1.3 -43,-2.4 -2,-0.5 -42,-0.8 -0.707 9.6-156.7 -99.7 131.1 25.5 2.8 86.2 73 73 A Y - 0 0 70 -2,-0.4 2,-0.3 -46,-0.3 -46,-0.1 -0.829 24.3-170.6 -91.1 146.5 24.1 6.2 85.4 74 74 A A 0 0 18 -2,-0.4 -46,-0.1 1,-0.1 380,-0.1 -0.985 360.0 360.0-149.0 147.3 26.5 9.1 85.6 75 75 A T 0 0 101 -2,-0.3 -1,-0.1 379,-0.1 379,-0.0 0.515 360.0 360.0 -95.4 360.0 26.9 12.8 85.5 76 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 77 80 A G > 0 0 38 0, 0.0 3,-0.5 0, 0.0 4,-0.1 0.000 360.0 360.0 360.0 132.3 36.1 6.5 87.5 78 81 A Y G > + 0 0 48 1,-0.2 3,-0.6 2,-0.2 915,-0.1 0.580 360.0 71.4 -72.7 -14.8 36.3 2.8 87.0 79 82 A E G 3 S+ 0 0 64 1,-0.2 -1,-0.2 913,-0.1 44,-0.1 0.809 99.0 49.0 -64.8 -22.5 36.6 2.6 90.8 80 83 A N G < S+ 0 0 18 -3,-0.5 2,-0.3 41,-0.1 -1,-0.2 0.415 81.9 107.5 -98.8 -7.3 32.9 3.6 90.9 81 84 A V S < S- 0 0 0 -3,-0.6 -34,-0.1 -4,-0.1 42,-0.0 -0.594 70.4-101.5 -76.2 129.7 31.6 1.1 88.4 82 85 A Q S S+ 0 0 15 -2,-0.3 -12,-0.4 -36,-0.1 2,-0.2 -0.729 89.4 64.7-105.7 169.6 29.6 -1.5 90.3 83 86 A P S S- 0 0 2 0, 0.0 2,-0.4 0, 0.0 14,-0.2 0.498 72.3-144.3 -58.8 152.9 29.2 -4.2 91.5 84 87 A L E -H 96 0C 5 12,-2.8 12,-2.3 -2,-0.2 2,-0.4 -0.858 15.9-158.5 -87.8 132.4 31.9 -3.5 94.1 85 88 A L E -H 95 0C 33 -2,-0.4 2,-0.4 10,-0.2 10,-0.3 -0.980 10.1-174.0-119.5 138.2 33.8 -6.7 94.9 86 89 A F E -H 94 0C 9 8,-2.3 8,-2.6 -2,-0.4 2,-0.3 -0.991 2.4-166.9-132.9 133.9 35.7 -7.2 98.1 87 90 A R B -M 1033 0D 125 946,-1.1 946,-0.5 -2,-0.4 2,-0.3 -0.732 2.7-167.0-119.2 164.8 37.9 -10.1 99.1 88 91 A S > - 0 0 28 -2,-0.3 4,-0.6 1,-0.1 944,-0.0 -0.990 29.6-122.0-151.6 156.3 39.5 -11.3 102.3 89 92 A Q T 4 S+ 0 0 80 -2,-0.3 -1,-0.1 1,-0.2 935,-0.0 0.869 107.2 5.7 -62.4 -44.0 42.1 -13.7 103.6 90 93 A N T 4 S+ 0 0 83 2,-0.1 -1,-0.2 1,-0.1 934,-0.0 0.557 127.0 54.3-122.6 -18.6 39.8 -15.7 105.9 91 94 A N T 4 S- 0 0 90 1,-0.3 -2,-0.1 0, 0.0 -1,-0.1 0.137 90.1-135.0-117.2 12.9 36.3 -14.5 105.4 92 95 A G < - 0 0 29 -4,-0.6 -1,-0.3 69,-0.1 2,-0.3 -0.087 40.8 -36.0 61.1-157.1 35.8 -14.9 101.7 93 96 A S - 0 0 11 -6,-0.1 69,-0.4 -8,-0.0 2,-0.4 -0.722 34.3-166.8-119.5 158.5 34.1 -12.4 99.4 94 97 A L E -H 86 0C 23 -8,-2.6 -8,-2.3 -2,-0.3 2,-0.4 -0.990 3.8-174.7-144.0 122.1 31.4 -9.8 99.2 95 98 A A E -HI 85 160C 0 65,-3.1 65,-3.0 -2,-0.4 2,-0.4 -0.960 11.8-174.0-114.1 142.7 30.0 -8.0 96.1 96 99 A L E -HI 84 159C 0 -12,-2.3 -12,-2.8 -2,-0.4 2,-0.3 -0.989 11.1-174.4-139.8 141.2 27.5 -5.2 96.5 97 100 A A E - I 0 158C 0 61,-2.9 61,-2.9 -2,-0.4 2,-0.3 -0.997 9.1-166.1-140.4 138.3 25.4 -3.2 94.1 98 101 A H E - I 0 157C 9 -2,-0.3 2,-0.4 59,-0.2 59,-0.2 -0.902 13.6-172.4-123.1 144.5 23.2 -0.2 94.9 99 102 A N E + I 0 156C 0 57,-2.1 57,-2.2 -2,-0.3 2,-0.3 -0.975 65.5 33.6-133.3 117.5 20.4 1.7 93.1 100 103 A G E S- I 0 155C 10 -2,-0.4 283,-0.4 55,-0.2 2,-0.3 -0.948 86.2 -84.1 140.9-153.7 19.2 4.8 94.9 101 104 A N E - I 0 154C 4 53,-1.8 53,-2.5 -2,-0.3 2,-0.6 -0.916 20.4-130.6-160.9 136.1 21.0 7.3 97.2 102 105 A L E > - I 0 153C 2 -2,-0.3 3,-0.8 51,-0.2 51,-0.3 -0.768 13.2-162.0 -95.2 110.9 21.9 7.4 100.9 103 106 A V T 3 S+ 0 0 1 49,-2.5 344,-0.4 -2,-0.6 50,-0.2 0.579 91.7 42.5 -73.9 -6.6 20.8 10.8 102.2 104 107 A N T >> S+ 0 0 5 48,-1.0 4,-2.1 346,-0.1 3,-0.5 0.360 76.8 115.1-118.8 8.7 23.1 10.4 105.3 105 108 A A H <> S+ 0 0 2 -3,-0.8 4,-2.4 47,-0.3 5,-0.2 0.787 74.4 55.3 -47.7 -42.2 26.2 9.0 103.5 106 109 A T H 3> S+ 0 0 24 -4,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.957 109.1 47.7 -55.6 -55.8 28.3 12.1 104.3 107 110 A Q H <> S+ 0 0 56 -3,-0.5 4,-2.1 1,-0.2 -2,-0.2 0.971 114.6 45.9 -43.1 -65.2 27.6 11.6 108.0 108 111 A L H X S+ 0 0 8 -4,-2.1 4,-3.2 1,-0.2 5,-0.2 0.812 107.3 57.3 -58.9 -34.8 28.4 7.9 107.9 109 112 A K H X S+ 0 0 16 -4,-2.4 4,-2.8 -5,-0.3 -1,-0.2 0.982 108.7 46.2 -63.8 -48.7 31.6 8.3 105.9 110 113 A Q H X S+ 0 0 67 -4,-2.1 4,-3.2 2,-0.2 -1,-0.2 0.873 113.3 48.7 -57.2 -48.1 33.1 10.7 108.5 111 114 A Q H X S+ 0 0 97 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.977 115.5 44.0 -56.1 -47.3 32.1 8.4 111.3 112 115 A L H <>S+ 0 0 4 -4,-3.2 5,-2.8 2,-0.2 -2,-0.2 0.823 113.9 51.4 -70.6 -26.8 33.6 5.4 109.5 113 116 A E H ><5S+ 0 0 4 -4,-2.8 3,-1.9 3,-0.2 -1,-0.2 0.931 108.1 51.5 -76.3 -36.9 36.6 7.5 108.6 114 117 A N H 3<5S+ 0 0 121 -4,-3.2 -2,-0.2 1,-0.3 -1,-0.2 0.848 106.9 53.9 -68.3 -30.9 37.1 8.5 112.2 115 118 A Q T 3<5S- 0 0 101 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.402 132.7 -95.1 -79.6 -1.5 36.9 4.8 113.1 116 119 A G T < 5S+ 0 0 7 -3,-1.9 932,-0.3 1,-0.3 2,-0.3 0.653 71.3 149.7 101.1 19.6 39.7 4.3 110.6 117 120 A S < - 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