==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 16-JUL-02 1M6K . COMPND 2 MOLECULE: BETA-LACTAMASE OXA-1; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR T.SUN,M.NUKAGA,K.MAYAMA,E.H.BRASWELL,J.R.KNOX . 500 4 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21705.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 350 70.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 5 1.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 92 18.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 30 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 54 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 148 29.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 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 0 2 0 2 2 1 5 2 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 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 0 0 0 PARALLEL BRIDGES PER LADDER . 4 0 2 2 0 0 0 2 0 4 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 0 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 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 18 A S 0 0 98 0, 0.0 2,-0.2 0, 0.0 29,-0.1 0.000 360.0 360.0 360.0-139.7 49.4 71.2 68.6 2 19 A T - 0 0 43 0, 0.0 30,-2.3 0, 0.0 2,-0.5 -0.717 360.0-144.1-167.7 110.7 46.3 72.2 70.6 3 20 A D B -a 32 0A 97 -2,-0.2 3,-0.3 28,-0.2 30,-0.2 -0.672 14.7-176.6 -79.7 122.4 45.6 71.5 74.3 4 21 A I >> + 0 0 21 28,-1.9 4,-2.9 -2,-0.5 3,-1.1 -0.030 39.3 126.9-109.8 30.5 41.8 70.9 74.8 5 22 A S H 3> + 0 0 33 1,-0.3 4,-2.8 27,-0.2 -1,-0.2 0.855 65.4 66.6 -54.1 -39.0 41.8 70.6 78.5 6 23 A T H 34 S+ 0 0 135 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.868 116.6 25.4 -51.6 -40.3 39.1 73.2 78.8 7 24 A V H <> S+ 0 0 54 -3,-1.1 4,-0.7 2,-0.1 -2,-0.2 0.838 126.5 46.4 -93.2 -39.2 36.6 70.8 77.1 8 25 A A H X S+ 0 0 0 -4,-2.9 4,-1.8 1,-0.2 5,-0.2 0.839 95.8 73.4 -74.7 -36.4 38.2 67.4 77.9 9 26 A S H >X S+ 0 0 54 -4,-2.8 4,-0.7 -5,-0.3 3,-0.5 0.906 100.4 40.9 -46.4 -58.4 38.8 68.0 81.6 10 27 A P H >4 S+ 0 0 79 0, 0.0 3,-0.5 0, 0.0 -1,-0.2 0.859 112.3 57.5 -62.8 -32.1 35.2 67.8 82.8 11 28 A L H 3< S+ 0 0 36 -4,-0.7 -2,-0.2 1,-0.2 -3,-0.1 0.817 115.3 35.8 -66.7 -31.0 34.5 64.9 80.5 12 29 A F H X< S+ 0 0 4 -4,-1.8 3,-1.8 -3,-0.5 -1,-0.2 0.355 84.2 133.7-104.7 4.5 37.3 62.8 82.0 13 30 A E T << + 0 0 156 -4,-0.7 3,-0.1 -3,-0.5 -4,-0.0 -0.294 68.7 33.3 -57.5 135.9 36.9 63.9 85.7 14 33 A G T 3 S+ 0 0 66 1,-0.3 213,-0.5 3,-0.0 2,-0.3 0.368 118.1 59.2 97.6 -3.6 36.9 61.0 88.0 15 34 A T S < S- 0 0 25 -3,-1.8 2,-0.9 211,-0.1 -1,-0.3 -0.898 89.9-104.2-145.5 171.3 39.4 59.1 85.8 16 35 A E E +B 225 0A 117 209,-2.9 209,-1.4 -2,-0.3 2,-0.2 -0.899 57.9 178.1-100.9 100.1 42.8 59.4 84.3 17 36 A G E -B 224 0A 2 -2,-0.9 2,-0.3 207,-0.2 20,-0.3 -0.566 20.5-172.1-107.2 171.3 41.9 60.2 80.8 18 37 A a E -B 223 0A 0 205,-2.1 205,-2.3 -2,-0.2 2,-0.3 -0.986 3.6-170.4-158.3 146.9 43.6 61.0 77.5 19 38 A F E -BC 222 33A 0 14,-1.5 14,-1.9 -2,-0.3 2,-0.4 -0.992 5.8-178.9-144.0 136.6 42.6 62.1 74.0 20 39 A L E -BC 221 32A 0 201,-2.3 201,-2.1 -2,-0.3 2,-0.4 -1.000 6.3-179.3-138.6 136.0 44.7 62.4 70.8 21 40 A L E +BC 220 31A 0 10,-2.1 9,-2.8 -2,-0.4 10,-1.6 -0.977 13.1 176.3-136.1 120.0 43.8 63.6 67.3 22 41 A Y E -BC 219 29A 20 197,-2.6 197,-2.3 -2,-0.4 2,-0.4 -0.895 37.2-107.5-124.3 154.0 46.4 63.5 64.6 23 42 A D E > -B 218 0A 8 5,-2.5 4,-1.8 -2,-0.3 195,-0.3 -0.668 30.5-142.2 -76.9 130.1 46.4 64.3 60.8 24 43 A A T 4 S+ 0 0 0 193,-1.9 -1,-0.2 -2,-0.4 194,-0.1 0.952 92.7 38.8 -59.2 -54.2 46.6 60.9 59.1 25 46 A S T 4 S+ 0 0 86 192,-0.5 -1,-0.2 1,-0.2 193,-0.1 0.917 128.4 27.0 -65.3 -48.6 48.9 61.9 56.2 26 47 A T T 4 S- 0 0 95 2,-0.1 -1,-0.2 0, 0.0 -2,-0.2 0.607 91.0-130.1 -94.6 -15.2 51.4 64.3 58.0 27 48 A N < + 0 0 58 -4,-1.8 2,-0.3 1,-0.3 -3,-0.1 0.707 50.5 157.4 71.3 20.4 51.3 63.0 61.6 28 49 A A - 0 0 46 -5,-0.1 -5,-2.5 1,-0.1 2,-0.5 -0.612 46.4-120.2 -77.8 135.1 50.8 66.6 62.8 29 50 A E E + C 0 22A 46 -2,-0.3 -7,-0.2 -7,-0.2 3,-0.1 -0.672 33.8 176.3 -78.9 121.6 49.2 66.6 66.3 30 51 A I E - 0 0 55 -9,-2.8 2,-0.3 -2,-0.5 -8,-0.2 0.842 64.0 -1.0 -93.1 -41.6 45.8 68.5 66.1 31 52 A A E + C 0 21A 0 -10,-1.6 -10,-2.1 -30,-0.1 -1,-0.3 -0.996 63.5 178.0-151.1 148.4 44.5 68.1 69.6 32 53 A Q E -aC 3 20A 22 -30,-2.3 -28,-1.9 -2,-0.3 2,-0.3 -0.999 12.2-167.9-153.9 152.0 45.6 66.5 72.9 33 54 A F E S- C 0 19A 21 -14,-1.9 -14,-1.5 -2,-0.3 5,-0.1 -0.972 73.4 -8.7-143.8 125.1 44.7 66.0 76.5 34 55 A N >> - 0 0 45 -2,-0.3 4,-1.5 -16,-0.2 3,-1.0 0.962 60.2-169.2 54.0 68.0 46.9 64.6 79.3 35 56 A K H 3> S+ 0 0 77 1,-0.3 4,-1.4 2,-0.2 5,-0.1 0.767 80.5 67.8 -54.8 -30.7 49.9 63.4 77.3 36 57 A A H 34 S+ 0 0 74 1,-0.2 3,-0.4 2,-0.2 4,-0.3 0.918 104.9 41.5 -58.2 -44.2 51.2 61.6 80.4 37 58 A K H X4 S+ 0 0 21 -3,-1.0 3,-1.5 -20,-0.3 -1,-0.2 0.868 107.9 62.4 -70.8 -36.0 48.4 59.2 80.3 38 59 A a H 3< S+ 0 0 0 -4,-1.5 110,-2.3 1,-0.3 111,-0.3 0.766 101.9 51.8 -60.4 -27.3 48.7 58.9 76.5 39 60 A A T 3< S+ 0 0 68 -4,-1.4 2,-0.4 -3,-0.4 -1,-0.3 0.517 88.6 101.4 -88.8 -4.8 52.2 57.5 76.9 40 61 A T < - 0 0 70 -3,-1.5 2,-0.2 -4,-0.3 105,-0.1 -0.682 67.6-136.4 -86.8 127.1 51.1 54.8 79.3 41 62 A Q + 0 0 79 -2,-0.4 2,-0.3 105,-0.2 105,-0.3 -0.563 32.9 157.8 -81.4 143.1 50.7 51.3 77.9 42 63 A M B -G 145 0B 13 103,-2.0 103,-2.4 -2,-0.2 154,-0.0 -0.940 50.8 -63.4-153.0 168.9 47.7 49.1 78.9 43 64 A A - 0 0 0 -2,-0.3 101,-0.2 101,-0.2 95,-0.1 -0.325 36.5-145.3 -59.5 137.0 45.8 46.2 77.5 44 65 A P > - 0 0 0 0, 0.0 3,-2.0 0, 0.0 -1,-0.1 0.739 30.4-180.0 -75.5 -21.6 44.2 46.9 74.2 45 66 A D G > - 0 0 1 93,-1.7 3,-2.2 1,-0.3 4,-0.2 -0.244 68.2 -6.3 51.6-138.3 41.2 44.7 75.0 46 67 A S G > S+ 0 0 13 1,-0.3 3,-1.7 147,-0.3 -1,-0.3 0.610 121.4 77.4 -65.1 -9.5 38.7 44.7 72.1 47 68 A T G X> S+ 0 0 0 -3,-2.0 3,-1.6 1,-0.3 4,-0.6 0.712 80.0 75.2 -69.3 -14.8 40.6 47.3 70.1 48 69 A F H <> S+ 0 0 0 -3,-2.2 4,-2.5 1,-0.3 3,-0.3 0.716 75.1 77.6 -66.7 -18.6 42.9 44.4 69.3 49 70 A X H <> S+ 0 0 0 -3,-1.7 4,-2.4 1,-0.2 -1,-0.3 0.769 84.1 63.7 -62.2 -23.2 40.2 43.3 66.9 50 71 A I H <> S+ 0 0 1 -3,-1.6 4,-1.6 -4,-0.2 -1,-0.2 0.959 108.1 40.6 -62.8 -47.9 41.4 46.0 64.5 51 72 A A H X S+ 0 0 0 -4,-0.6 4,-2.2 -3,-0.3 -2,-0.2 0.915 114.9 51.2 -65.5 -44.3 44.7 44.1 64.3 52 73 A L H X S+ 0 0 0 -4,-2.5 4,-2.9 1,-0.2 -1,-0.2 0.855 106.6 54.8 -63.3 -34.6 43.1 40.7 64.2 53 74 A S H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 5,-0.3 0.926 108.0 49.2 -64.6 -42.4 40.8 41.8 61.4 54 75 A L H X S+ 0 0 0 -4,-1.6 4,-2.3 1,-0.2 -2,-0.2 0.932 113.8 46.7 -61.2 -44.7 43.9 42.9 59.4 55 76 A M H X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.924 112.3 49.3 -62.2 -47.7 45.5 39.5 60.0 56 77 A A H <>S+ 0 0 0 -4,-2.9 5,-2.2 2,-0.2 6,-0.9 0.887 115.4 42.0 -61.9 -43.9 42.4 37.4 59.2 57 78 A F H ><5S+ 0 0 10 -4,-2.4 3,-0.8 3,-0.2 -1,-0.2 0.898 115.6 50.0 -72.3 -38.6 41.7 39.2 55.9 58 79 A D H 3<5S+ 0 0 38 -4,-2.3 -2,-0.2 -5,-0.3 -1,-0.2 0.880 112.1 46.5 -66.9 -37.5 45.4 39.2 54.9 59 80 A A T 3<5S- 0 0 33 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.2 0.440 110.2-128.4 -82.4 -0.9 45.8 35.5 55.7 60 81 A E T < 5S+ 0 0 100 -3,-0.8 -3,-0.2 -5,-0.2 -4,-0.1 0.819 70.1 129.1 56.7 37.8 42.6 35.0 53.7 61 82 A I S - 0 0 44 260,-0.4 3,-1.8 -2,-0.3 260,-0.1 -0.880 43.2-103.1-135.0 163.0 35.8 37.0 53.7 64 86 A Q T 3 S+ 0 0 50 -2,-0.3 23,-0.2 1,-0.3 259,-0.1 0.773 124.7 56.2 -60.8 -22.8 33.1 39.6 54.1 65 87 A K T 3 S+ 0 0 82 257,-0.1 -1,-0.3 20,-0.1 258,-0.1 0.535 81.4 120.6 -84.4 -9.5 30.6 36.8 53.3 66 88 A T < - 0 0 2 -3,-1.8 2,-0.5 256,-0.1 258,-0.1 -0.313 48.4-157.2 -62.4 134.9 31.9 34.5 56.2 67 89 A I - 0 0 80 18,-0.1 2,-0.6 256,-0.1 18,-0.2 -0.964 7.3-146.7-116.1 118.3 29.4 33.5 58.8 68 90 A F B -H 84 0C 21 16,-3.1 16,-2.0 -2,-0.5 2,-0.5 -0.753 18.5-138.4 -85.5 122.2 30.7 32.5 62.2 69 91 A K - 0 0 133 -2,-0.6 14,-0.1 14,-0.2 2,-0.1 -0.720 10.5-128.6 -88.9 120.6 28.6 29.8 63.7 70 92 A W - 0 0 62 -2,-0.5 13,-0.1 1,-0.1 11,-0.1 -0.379 12.8-136.7 -62.5 137.0 27.7 29.9 67.4 71 93 A D - 0 0 88 2,-0.2 -1,-0.1 11,-0.1 10,-0.1 0.345 38.8-114.4 -80.3 8.0 28.5 26.6 69.2 72 94 A K S S+ 0 0 164 1,-0.2 -1,-0.1 10,-0.0 -2,-0.1 0.478 78.4 119.5 74.1 4.4 25.2 26.8 71.1 73 95 A T S S- 0 0 67 1,-0.1 -1,-0.2 2,-0.0 -2,-0.2 -0.832 76.1 -94.8-102.7 141.5 26.8 27.2 74.6 74 96 A P - 0 0 115 0, 0.0 4,-0.1 0, 0.0 -1,-0.1 -0.275 34.6-169.5 -53.6 128.8 26.2 30.3 76.7 75 97 A K - 0 0 62 2,-0.3 3,-0.1 3,-0.1 21,-0.0 0.544 43.5-104.6-100.8 -9.6 28.9 32.9 76.2 76 98 A G S S+ 0 0 63 1,-0.0 2,-0.4 2,-0.0 3,-0.1 -0.045 101.4 63.5 113.7 -35.4 28.2 35.4 79.0 77 99 A M S >> S- 0 0 106 1,-0.1 3,-1.7 0, 0.0 4,-0.6 -0.995 77.9-136.4-124.0 129.3 26.6 38.2 77.0 78 100 A E G >4 S+ 0 0 151 -2,-0.4 3,-1.5 1,-0.3 -1,-0.1 0.849 102.0 60.3 -56.4 -37.8 23.3 37.5 75.2 79 101 A I G 34 S+ 0 0 79 1,-0.3 -1,-0.3 2,-0.1 3,-0.1 0.714 100.5 57.7 -65.5 -17.2 24.3 39.3 72.0 80 102 A W G <4 S+ 0 0 51 -3,-1.7 2,-1.8 1,-0.2 -1,-0.3 0.656 84.4 85.0 -83.8 -17.6 27.2 36.8 71.7 81 103 A N S << S+ 0 0 24 -3,-1.5 2,-0.3 -4,-0.6 -1,-0.2 -0.347 85.3 61.5 -83.7 58.6 24.8 33.8 71.7 82 104 A S S S- 0 0 44 -2,-1.8 2,-0.1 -3,-0.1 -11,-0.1 -0.969 94.2 -72.2-166.6 170.8 24.2 34.0 68.0 83 105 A N - 0 0 88 -2,-0.3 2,-0.3 -14,-0.1 -14,-0.2 -0.476 51.9-164.8 -74.7 148.3 25.8 33.7 64.6 84 106 A H B -H 68 0C 5 -16,-2.0 -16,-3.1 -2,-0.1 -1,-0.0 -0.839 15.8-146.6-133.2 168.4 28.0 36.6 63.5 85 107 A T > - 0 0 46 -2,-0.3 4,-2.2 -18,-0.2 5,-0.2 -0.738 44.5 -94.0-123.6 172.6 29.8 38.2 60.5 86 108 A P H > S+ 0 0 1 0, 0.0 4,-1.0 0, 0.0 5,-0.1 0.835 127.4 50.6 -60.3 -26.9 33.1 40.1 60.3 87 109 A K H > S+ 0 0 80 -23,-0.2 4,-2.4 2,-0.2 3,-0.3 0.944 112.5 41.3 -74.8 -49.1 31.0 43.2 60.7 88 110 A T H > S+ 0 0 32 1,-0.2 4,-2.7 2,-0.2 6,-0.3 0.754 105.2 67.5 -72.2 -21.2 29.0 42.2 63.8 89 111 A W H <>S+ 0 0 0 -4,-2.2 5,-1.8 2,-0.2 4,-0.3 0.937 110.4 35.7 -59.5 -45.7 32.2 40.7 65.3 90 112 A M H ><5S+ 0 0 5 -4,-1.0 3,-1.1 -3,-0.3 101,-0.2 0.945 116.1 54.6 -71.7 -50.7 33.6 44.2 65.5 91 113 A Q H 3<5S+ 0 0 125 -4,-2.4 -2,-0.2 1,-0.3 -3,-0.2 0.871 121.5 27.5 -52.0 -46.5 30.2 45.9 66.4 92 114 A F T 3<5S- 0 0 73 -4,-2.7 -1,-0.3 -5,-0.1 3,-0.2 0.225 103.5-121.8-105.2 13.4 29.5 43.6 69.4 93 115 A S T < 5 - 0 0 20 -3,-1.1 2,-1.4 -4,-0.3 -3,-0.2 0.911 33.9-165.3 46.7 54.5 33.1 42.8 70.4 94 116 A V >>< - 0 0 0 -5,-1.8 4,-1.3 -6,-0.3 3,-1.2 -0.545 9.2-172.8 -77.0 93.2 32.4 39.0 70.0 95 117 A V H 3> S+ 0 0 21 -2,-1.4 4,-2.2 1,-0.3 5,-0.2 0.840 78.4 61.7 -55.1 -40.1 35.4 37.5 71.7 96 118 A W H 3> S+ 0 0 16 1,-0.2 4,-1.2 2,-0.2 -1,-0.3 0.816 101.8 53.3 -62.4 -26.5 34.7 33.9 70.7 97 119 A V H <> S+ 0 0 0 -3,-1.2 4,-2.1 2,-0.2 3,-0.3 0.922 107.3 51.1 -71.3 -43.3 35.0 34.9 67.1 98 120 A S H X S+ 0 0 0 -4,-1.3 4,-2.7 1,-0.2 -2,-0.2 0.907 108.7 52.6 -58.0 -41.5 38.5 36.4 67.8 99 121 A Q H X S+ 0 0 50 -4,-2.2 4,-1.5 1,-0.2 -1,-0.2 0.801 106.8 51.3 -66.4 -30.2 39.5 33.2 69.5 100 122 A E H X S+ 0 0 105 -4,-1.2 4,-1.3 -3,-0.3 -1,-0.2 0.889 112.5 48.3 -72.1 -37.8 38.4 31.1 66.5 101 123 A I H X S+ 0 0 5 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.913 109.7 49.4 -68.8 -44.7 40.6 33.4 64.3 102 124 A T H X S+ 0 0 0 -4,-2.7 4,-2.7 1,-0.2 -1,-0.2 0.879 109.9 52.0 -65.0 -35.6 43.7 33.3 66.5 103 125 A Q H < S+ 0 0 114 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.851 111.4 47.8 -68.8 -31.8 43.6 29.5 66.7 104 126 A K H < S+ 0 0 125 -4,-1.3 -2,-0.2 1,-0.1 -1,-0.2 0.913 115.0 44.1 -73.4 -43.5 43.4 29.3 62.9 105 127 A I H < S- 0 0 15 -4,-2.4 4,-0.4 -5,-0.1 -2,-0.2 0.907 104.6-144.3 -68.1 -43.2 46.2 31.7 62.3 106 128 A G X - 0 0 23 -4,-2.7 4,-2.0 -5,-0.2 5,-0.2 0.179 22.0 -84.4 90.3 150.1 48.5 30.2 65.0 107 129 A L H > S+ 0 0 68 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.870 122.3 54.4 -57.1 -46.1 50.9 31.7 67.4 108 130 A N H > S+ 0 0 112 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.923 111.5 44.9 -57.2 -46.1 53.9 31.9 65.1 109 131 A K H > S+ 0 0 96 -4,-0.4 4,-2.3 2,-0.2 -1,-0.2 0.880 111.4 53.3 -65.9 -39.5 52.0 33.8 62.5 110 132 A I H X S+ 0 0 0 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.925 106.6 52.9 -61.7 -44.1 50.5 36.1 65.1 111 133 A K H X S+ 0 0 96 -4,-2.6 4,-1.3 1,-0.2 -1,-0.2 0.889 109.1 49.5 -59.3 -39.4 54.0 36.9 66.4 112 134 A N H X S+ 0 0 74 -4,-1.7 4,-2.2 1,-0.2 3,-0.3 0.913 110.2 49.7 -67.7 -40.7 55.1 37.8 62.9 113 135 A Y H X S+ 0 0 10 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.873 104.9 58.8 -65.0 -35.9 52.1 40.1 62.4 114 136 A L H X>S+ 0 0 1 -4,-2.4 5,-2.2 1,-0.2 4,-0.5 0.860 108.5 45.4 -61.7 -34.4 52.9 41.8 65.7 115 137 A K H ><5S+ 0 0 131 -4,-1.3 3,-0.9 -3,-0.3 -2,-0.2 0.921 111.0 52.3 -72.8 -43.7 56.3 42.7 64.4 116 138 A D H 3<5S+ 0 0 71 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.849 116.5 41.1 -57.6 -36.0 54.8 43.9 61.1 117 139 A F H 3<5S- 0 0 0 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 0.506 100.4-133.9 -91.3 -6.8 52.4 46.1 63.0 118 140 A D T <<5 - 0 0 99 -3,-0.9 2,-1.3 -4,-0.5 -3,-0.2 0.948 36.7-170.5 49.4 51.6 55.0 47.3 65.6 119 141 A Y > < - 0 0 0 -5,-2.2 3,-2.0 -6,-0.1 -1,-0.2 -0.574 32.5 -90.0 -85.2 88.5 52.3 46.5 68.1 120 142 A G T 3 S- 0 0 14 -2,-1.3 25,-0.2 1,-0.3 23,-0.1 -0.171 99.6 -13.7 50.9-133.7 53.2 47.7 71.6 121 143 A N T 3 S- 0 0 61 23,-2.5 -1,-0.3 2,-0.1 24,-0.1 0.503 80.5-141.6 -79.6 -2.8 55.1 45.3 73.7 122 144 A Q < + 0 0 63 -3,-2.0 2,-0.9 22,-0.3 -2,-0.1 0.749 45.4 153.1 49.2 30.8 54.2 42.4 71.4 123 145 A D + 0 0 62 19,-0.2 3,-0.3 21,-0.2 -1,-0.2 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