==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-OCT-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 27-FEB-13 4JF4 . COMPND 2 MOLECULE: BETA-LACTAMASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ACINETOBACTER BAUMANNII; . AUTHOR C.A.SMITH,S.B.VAKULENKO,M.TOTH . 483 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21534.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 361 74.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 92 19.0 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 . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.8 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 . 2 0.4 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 . 40 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 65 13.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 139 28.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 2.5 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 0 0 1 1 1 2 2 4 3 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 3 1 0 2 0 3 1 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 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 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 32 A I > 0 0 180 0, 0.0 4,-1.2 0, 0.0 3,-0.4 0.000 360.0 360.0 360.0 -77.6 -14.1 15.4 18.6 2 33 A V H > + 0 0 56 1,-0.2 4,-5.4 2,-0.2 5,-0.2 0.754 360.0 69.2 -72.3 -25.7 -12.0 12.3 17.9 3 34 A Q H > S+ 0 0 157 2,-0.3 4,-2.0 1,-0.2 -1,-0.2 0.795 100.3 46.1 -66.2 -31.3 -15.2 10.6 16.5 4 35 A G H > S+ 0 0 39 -3,-0.4 4,-1.8 2,-0.2 -1,-0.2 0.912 117.4 44.3 -73.3 -46.1 -15.2 12.9 13.6 5 36 A H H X S+ 0 0 54 -4,-1.2 4,-2.4 1,-0.2 -2,-0.3 0.924 116.9 46.2 -60.2 -47.1 -11.5 12.3 13.1 6 37 A N H X S+ 0 0 26 -4,-5.4 4,-3.8 2,-0.2 28,-0.3 0.861 106.5 57.8 -69.5 -33.7 -12.0 8.6 13.7 7 38 A Q H X S+ 0 0 107 -4,-2.0 4,-1.8 -5,-0.2 -1,-0.2 0.926 111.1 44.2 -55.9 -45.5 -15.0 8.4 11.3 8 39 A V H X S+ 0 0 29 -4,-1.8 4,-1.8 2,-0.2 -2,-0.2 0.933 117.4 43.8 -66.1 -45.2 -12.7 9.8 8.6 9 40 A I H X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.890 108.8 57.1 -70.4 -37.7 -9.8 7.5 9.5 10 41 A H H X S+ 0 0 74 -4,-3.8 4,-2.4 24,-0.3 -1,-0.2 0.950 108.5 49.6 -50.2 -49.7 -12.1 4.5 9.9 11 42 A Q H X S+ 0 0 82 -4,-1.8 4,-3.2 -5,-0.3 -2,-0.2 0.873 102.8 59.1 -60.6 -41.7 -13.1 5.2 6.3 12 43 A Y H X S+ 0 0 36 -4,-1.8 4,-0.7 1,-0.2 -1,-0.2 0.946 110.1 44.0 -51.2 -50.1 -9.5 5.4 5.1 13 44 A F H ><>S+ 0 0 0 -4,-2.1 5,-1.4 1,-0.2 3,-0.7 0.900 113.6 49.5 -64.1 -42.6 -9.0 1.9 6.3 14 45 A D H ><5S+ 0 0 72 -4,-2.4 3,-2.1 1,-0.2 -2,-0.2 0.906 104.0 61.1 -60.7 -41.3 -12.3 0.7 4.8 15 46 A E H 3<5S+ 0 0 103 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.720 108.1 43.3 -60.7 -24.0 -11.5 2.3 1.5 16 47 A K T <<5S- 0 0 56 -4,-0.7 -1,-0.3 -3,-0.7 -2,-0.2 0.019 112.3-118.3-114.4 26.5 -8.4 0.1 1.1 17 48 A N T < 5S+ 0 0 120 -3,-2.1 2,-0.3 1,-0.1 -3,-0.2 0.806 70.2 112.0 42.3 55.1 -10.1 -3.1 2.3 18 49 A T < - 0 0 7 -5,-1.4 2,-0.5 2,-0.0 -2,-0.1 -0.934 65.2-119.4-141.2 169.8 -8.1 -4.0 5.4 19 50 A S + 0 0 56 -2,-0.3 199,-2.5 199,-0.2 2,-0.3 -0.970 51.2 146.6-105.5 120.9 -8.5 -4.2 9.2 20 51 A G E -A 217 0A 0 -2,-0.5 16,-1.8 197,-0.2 15,-1.1 -0.979 34.3-149.3-151.5 161.4 -6.1 -1.8 10.9 21 52 A V E -AB 216 34A 0 195,-2.8 195,-2.4 -2,-0.3 2,-0.4 -0.958 5.3-155.3-129.1 152.5 -5.5 0.4 13.9 22 53 A L E -AB 215 33A 0 11,-3.4 11,-2.1 -2,-0.3 2,-0.5 -0.987 12.5-160.3-125.7 119.4 -3.5 3.6 14.3 23 54 A V E -AB 214 32A 0 191,-2.4 191,-2.0 -2,-0.4 2,-0.5 -0.871 6.2-167.8-102.8 127.8 -2.4 4.3 17.8 24 55 A I E -AB 213 31A 4 7,-2.5 7,-2.5 -2,-0.5 2,-0.5 -0.966 5.3-173.0-117.6 129.4 -1.4 7.9 18.7 25 56 A Q E -AB 212 30A 20 187,-2.6 187,-2.1 -2,-0.5 2,-0.7 -0.930 5.5-178.1-122.3 107.8 0.4 9.0 21.9 26 57 A T E > S- B 0 29A 49 3,-1.9 3,-2.2 -2,-0.5 2,-0.7 -0.929 73.8 -50.9 -99.0 112.3 0.9 12.6 22.6 27 58 A D T 3 S- 0 0 99 -2,-0.7 185,-0.0 183,-0.5 124,-0.0 -0.437 123.9 -20.7 61.2-104.8 2.8 12.6 25.8 28 59 A K T 3 S+ 0 0 162 -2,-0.7 2,-0.5 2,-0.0 -1,-0.3 0.491 115.8 99.7-111.6 -8.0 0.8 10.4 28.2 29 60 A K E < -B 26 0A 100 -3,-2.2 -3,-1.9 2,-0.0 2,-0.5 -0.693 53.7-166.2 -87.6 124.9 -2.5 10.6 26.3 30 61 A I E -B 25 0A 43 -2,-0.5 2,-0.3 -5,-0.2 -5,-0.2 -0.948 7.0-178.9-117.5 124.6 -3.3 7.6 23.9 31 62 A N E -B 24 0A 39 -7,-2.5 -7,-2.5 -2,-0.5 2,-0.4 -0.920 16.0-141.3-118.2 149.4 -6.1 7.7 21.3 32 63 A L E +B 23 0A 54 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.887 22.0 172.1-112.0 139.9 -7.1 4.8 18.9 33 64 A Y E +B 22 0A 18 -11,-2.1 -11,-3.4 -2,-0.4 2,-0.3 -0.943 30.9 63.3-140.4 164.2 -8.1 5.2 15.3 34 65 A G E S-B 21 0A 0 -28,-0.3 -24,-0.3 -2,-0.3 3,-0.2 -0.756 87.1 -73.9 118.9-169.9 -8.9 2.9 12.4 35 66 A N S S+ 0 0 34 -15,-1.1 -14,-0.2 -2,-0.3 -1,-0.1 0.330 119.4 52.7-111.1 7.5 -11.5 0.3 11.7 36 67 A A > + 0 0 13 -16,-1.8 3,-2.0 -3,-0.2 4,-0.3 -0.496 58.1 164.9-137.7 67.3 -10.1 -2.4 13.9 37 68 A L G > + 0 0 71 1,-0.3 3,-1.7 -3,-0.2 4,-0.3 0.782 69.7 68.0 -62.2 -27.8 -9.6 -0.9 17.4 38 69 A S G > S+ 0 0 98 1,-0.3 3,-0.8 2,-0.2 -1,-0.3 0.704 86.1 71.2 -65.7 -16.8 -9.3 -4.2 19.2 39 70 A R G X S+ 0 0 24 -3,-2.0 3,-2.0 1,-0.2 -1,-0.3 0.830 79.6 78.4 -64.9 -29.1 -6.0 -4.7 17.3 40 71 A A G < S+ 0 0 1 -3,-1.7 104,-2.2 -4,-0.3 105,-0.3 0.803 106.2 27.4 -55.4 -33.0 -4.5 -2.0 19.6 41 72 A N G < S+ 0 0 111 -3,-0.8 2,-0.4 -4,-0.3 -1,-0.3 0.067 97.6 107.5-119.3 28.7 -4.1 -4.4 22.5 42 73 A T S < S- 0 0 59 -3,-2.0 2,-0.3 99,-0.1 102,-0.1 -0.857 71.3-119.2 -98.5 136.3 -3.7 -7.6 20.6 43 74 A E + 0 0 91 -2,-0.4 2,-0.3 99,-0.2 99,-0.2 -0.567 37.1 170.3 -75.7 138.4 -0.2 -9.2 20.6 44 75 A Y B -F 141 0B 38 97,-1.9 97,-2.7 -2,-0.3 93,-0.0 -0.947 44.7 -88.0-137.4 160.5 1.6 -9.7 17.2 45 76 A V - 0 0 8 -2,-0.3 95,-0.2 95,-0.2 144,-0.1 -0.497 34.6-140.1 -62.2 136.7 5.1 -10.7 16.2 46 77 A P > + 0 0 0 0, 0.0 3,-1.7 0, 0.0 -1,-0.1 0.748 34.3 177.4 -72.6 -19.8 7.1 -7.4 16.0 47 78 A A G > - 0 0 1 87,-1.9 3,-2.3 1,-0.3 4,-0.2 -0.209 66.9 -2.6 47.3-137.2 8.9 -8.6 12.9 48 79 A S G > S+ 0 0 16 1,-0.3 3,-1.4 2,-0.2 4,-0.3 0.656 122.0 75.8 -55.0 -23.0 11.3 -5.9 11.4 49 80 A T G X S+ 0 0 1 -3,-1.7 3,-1.2 1,-0.2 4,-0.5 0.723 81.0 71.3 -62.2 -18.2 10.3 -3.4 14.1 50 81 A F G X> S+ 0 0 0 -3,-2.3 4,-2.8 1,-0.2 3,-0.6 0.751 75.9 81.0 -70.4 -21.0 12.4 -5.4 16.6 51 82 A K H <> S+ 0 0 6 -3,-1.4 4,-2.7 1,-0.2 -1,-0.2 0.802 84.0 62.6 -53.0 -31.4 15.5 -4.0 14.7 52 83 A M H <> S+ 0 0 1 -3,-1.2 4,-1.7 -4,-0.3 -1,-0.2 0.944 110.6 36.0 -59.4 -47.8 15.0 -0.8 16.8 53 84 A L H <> S+ 0 0 0 -3,-0.6 4,-2.6 -4,-0.5 -2,-0.2 0.841 114.0 58.2 -75.0 -35.5 15.6 -2.7 20.1 54 85 A N H X S+ 0 0 2 -4,-2.8 4,-2.8 2,-0.2 5,-0.2 0.969 108.7 45.3 -55.8 -53.4 18.2 -5.0 18.5 55 86 A A H X S+ 0 0 0 -4,-2.7 4,-2.9 1,-0.2 5,-0.4 0.903 112.0 52.3 -56.6 -45.9 20.3 -1.9 17.5 56 87 A L H X S+ 0 0 0 -4,-1.7 4,-2.7 -5,-0.2 -1,-0.2 0.947 114.0 42.9 -57.8 -47.6 19.9 -0.4 21.0 57 88 A I H X S+ 0 0 0 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.927 115.6 48.3 -64.0 -45.9 21.0 -3.6 22.7 58 89 A G H <>S+ 0 0 0 -4,-2.8 5,-2.8 -5,-0.2 6,-0.6 0.898 116.4 41.6 -65.6 -45.3 23.9 -4.2 20.2 59 90 A L H ><5S+ 0 0 16 -4,-2.9 3,-2.0 3,-0.2 -1,-0.2 0.940 113.2 53.7 -65.7 -48.5 25.2 -0.6 20.4 60 91 A E H 3<5S+ 0 0 25 -4,-2.7 -2,-0.2 -5,-0.4 -1,-0.2 0.895 113.3 43.5 -52.8 -42.3 24.7 -0.4 24.2 61 92 A N T 3<5S- 0 0 46 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.255 113.6-118.2 -92.2 11.5 26.7 -3.6 24.7 62 93 A Q T < 5S+ 0 0 162 -3,-2.0 -3,-0.2 1,-0.1 -2,-0.1 0.802 70.4 135.8 57.7 38.2 29.4 -2.6 22.2 63 94 A K S - 0 0 75 -2,-0.3 3,-1.0 -3,-0.1 23,-0.4 -0.954 35.5 -96.2-155.7 167.5 29.1 0.7 16.2 66 97 A I T 3 S+ 0 0 67 -2,-0.3 23,-0.4 1,-0.2 22,-0.1 0.645 119.4 50.7 -69.4 -13.0 27.4 3.1 13.8 67 98 A N T 3 S+ 0 0 129 20,-0.1 -1,-0.2 21,-0.1 -3,-0.0 0.664 79.4 116.0 -95.8 -19.9 30.4 3.1 11.4 68 99 A E < - 0 0 54 -3,-1.0 2,-0.7 1,-0.1 20,-0.4 -0.224 58.0-140.0 -57.6 133.3 31.0 -0.6 11.0 69 100 A I - 0 0 103 18,-0.1 2,-0.8 19,-0.1 18,-0.2 -0.873 6.1-152.8-100.1 115.6 30.5 -2.1 7.5 70 101 A F B -G 86 0C 15 16,-3.5 16,-2.1 -2,-0.7 2,-0.3 -0.786 23.5-138.9 -85.1 110.4 28.7 -5.4 7.4 71 102 A K - 0 0 148 -2,-0.8 2,-0.9 14,-0.2 14,-0.1 -0.554 4.0-132.4 -84.6 133.9 30.0 -7.0 4.2 72 103 A W - 0 0 63 -2,-0.3 13,-0.2 1,-0.1 -1,-0.1 -0.717 14.2-159.4 -78.5 107.2 27.8 -9.0 1.9 73 104 A K - 0 0 188 -2,-0.9 -1,-0.1 1,-0.1 10,-0.0 0.486 50.2 -95.9 -70.8 -1.9 29.8 -12.2 1.2 74 105 A G S S+ 0 0 33 1,-0.3 -1,-0.1 10,-0.0 3,-0.1 0.296 76.3 139.2 112.2 -10.0 27.8 -12.8 -2.0 75 106 A E - 0 0 85 1,-0.1 -1,-0.3 0, 0.0 2,-0.1 -0.353 61.3-100.4 -67.3 146.6 25.1 -15.2 -1.0 76 107 A K - 0 0 152 2,-0.0 2,-0.2 -2,-0.0 -1,-0.1 -0.432 42.0-160.0 -68.7 139.4 21.6 -14.5 -2.4 77 108 A R - 0 0 40 2,-0.1 6,-0.1 -2,-0.1 -1,-0.0 -0.708 33.6 -99.7-117.2 172.5 19.2 -12.8 -0.1 78 109 A S S S+ 0 0 101 -2,-0.2 2,-0.4 1,-0.1 3,-0.1 0.729 111.4 33.2 -66.2 -23.1 15.4 -12.4 0.1 79 110 A F S > S- 0 0 94 1,-0.1 3,-1.4 0, 0.0 4,-0.1 -0.999 70.6-142.0-134.2 139.7 15.6 -9.0 -1.5 80 111 A T G > S+ 0 0 115 -2,-0.4 3,-2.0 1,-0.3 -1,-0.1 0.826 101.5 69.5 -68.1 -29.1 18.2 -7.8 -4.1 81 112 A A G 3 S+ 0 0 56 1,-0.3 -1,-0.3 -3,-0.1 15,-0.1 0.706 96.1 54.8 -57.6 -21.6 18.1 -4.4 -2.2 82 113 A W G < S+ 0 0 23 -3,-1.4 2,-1.7 1,-0.1 -1,-0.3 0.415 79.5 100.8 -91.6 -2.7 20.0 -6.2 0.7 83 114 A E < + 0 0 35 -3,-2.0 2,-0.3 -4,-0.1 -1,-0.1 -0.455 67.9 71.6 -90.4 66.7 22.8 -7.5 -1.5 84 115 A K S S- 0 0 86 -2,-1.7 -11,-0.1 -14,-0.1 2,-0.1 -0.970 89.9 -80.4-165.4 160.0 25.5 -5.0 -0.7 85 116 A D + 0 0 77 -2,-0.3 2,-0.3 -13,-0.2 -14,-0.2 -0.410 58.9 172.5 -62.2 143.4 27.8 -3.9 2.1 86 117 A M B -G 70 0C 7 -16,-2.1 -16,-3.5 -2,-0.1 2,-0.1 -1.000 33.5-121.3-157.8 160.5 26.1 -1.8 4.7 87 118 A T > - 0 0 44 -2,-0.3 4,-2.1 -18,-0.2 -18,-0.1 -0.382 43.5-102.9 -83.8 169.8 26.2 -0.1 8.1 88 119 A L H > S+ 0 0 0 -20,-0.4 4,-1.7 -23,-0.4 8,-0.1 0.888 123.8 52.9 -60.1 -38.7 23.7 -0.8 10.9 89 120 A G H > S+ 0 0 19 -23,-0.4 4,-1.7 1,-0.2 -1,-0.2 0.887 108.8 46.7 -68.4 -40.8 22.0 2.4 9.9 90 121 A E H > S+ 0 0 48 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.854 109.9 55.1 -69.3 -33.1 21.6 1.5 6.3 91 122 A A H X>S+ 0 0 0 -4,-2.1 5,-2.2 2,-0.2 4,-0.6 0.837 104.5 54.5 -68.6 -32.4 20.3 -1.9 7.3 92 123 A M H ><5S+ 0 0 2 -4,-1.7 3,-1.2 3,-0.2 -2,-0.2 0.962 107.9 48.4 -61.2 -53.6 17.6 -0.3 9.4 93 124 A K H 3<5S+ 0 0 125 -4,-1.7 -2,-0.2 1,-0.3 -1,-0.2 0.872 120.9 37.3 -54.5 -38.3 16.3 1.7 6.5 94 125 A L H 3<5S- 0 0 44 -4,-1.7 -1,-0.3 -5,-0.1 -2,-0.2 0.434 103.4-126.9 -95.1 0.1 16.3 -1.4 4.3 95 126 A S T <<5 - 0 0 15 -3,-1.2 2,-1.4 -4,-0.6 -3,-0.2 0.871 37.1-172.9 50.5 41.5 15.1 -3.8 7.0 96 127 A A >>< - 0 0 0 -5,-2.2 4,-1.4 1,-0.2 3,-0.8 -0.493 8.5-168.9 -70.5 90.5 18.2 -5.9 6.0 97 128 A V H 3> S+ 0 0 27 -2,-1.4 4,-2.6 1,-0.2 5,-0.2 0.841 77.2 59.6 -45.2 -50.2 17.6 -9.1 8.1 98 129 A P H 3> S+ 0 0 31 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.874 105.7 49.4 -56.9 -35.5 21.1 -10.8 7.6 99 130 A V H <> S+ 0 0 3 -3,-0.8 4,-2.0 2,-0.2 -2,-0.2 0.950 113.6 45.1 -65.6 -46.9 22.9 -7.8 9.1 100 131 A Y H X S+ 0 0 2 -4,-1.4 4,-2.6 1,-0.2 -1,-0.2 0.802 110.0 55.3 -70.0 -29.7 20.6 -7.7 12.2 101 132 A Q H X S+ 0 0 45 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.892 106.9 50.2 -65.8 -43.1 20.9 -11.5 12.5 102 133 A E H X S+ 0 0 69 -4,-1.9 4,-2.1 -5,-0.2 -2,-0.2 0.901 112.2 48.8 -61.3 -39.0 24.6 -11.3 12.6 103 134 A L H X S+ 0 0 0 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.933 109.5 50.7 -64.3 -45.7 24.2 -8.6 15.3 104 135 A A H X S+ 0 0 0 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.859 109.1 52.3 -61.5 -36.4 21.8 -10.7 17.3 105 136 A R H < S+ 0 0 117 -4,-2.2 -1,-0.2 2,-0.2 -2,-0.2 0.920 107.0 52.0 -66.3 -42.5 24.3 -13.6 17.2 106 137 A R H < S+ 0 0 83 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.884 110.8 49.0 -57.4 -41.2 27.0 -11.3 18.5 107 138 A I H < S- 0 0 9 -4,-2.1 4,-0.5 -5,-0.1 -1,-0.2 0.890 107.0-143.2 -65.3 -41.1 24.7 -10.4 21.4 108 139 A G X - 0 0 24 -4,-2.1 4,-2.0 -5,-0.2 5,-0.1 0.134 21.3 -87.6 86.1 152.4 23.9 -14.0 22.1 109 140 A L H > S+ 0 0 26 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.887 123.3 50.4 -60.7 -44.1 20.6 -15.5 23.3 110 141 A D H > S+ 0 0 127 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.923 111.9 44.4 -72.3 -40.6 21.2 -15.0 26.9 111 142 A L H > S+ 0 0 47 -4,-0.5 4,-2.6 2,-0.2 5,-0.2 0.889 114.8 53.0 -63.5 -35.8 22.1 -11.3 26.8 112 143 A M H X S+ 0 0 0 -4,-2.0 4,-2.8 2,-0.2 5,-0.2 0.957 109.8 45.4 -63.5 -51.4 19.2 -10.9 24.4 113 144 A Q H X S+ 0 0 60 -4,-2.9 4,-1.7 1,-0.2 -1,-0.2 0.881 114.0 51.2 -59.5 -38.7 16.7 -12.5 26.8 114 145 A K H X S+ 0 0 98 -4,-2.1 4,-2.6 -5,-0.2 -2,-0.2 0.954 113.3 43.0 -64.0 -49.7 18.1 -10.4 29.6 115 146 A E H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 5,-0.3 0.934 112.0 52.7 -65.5 -46.8 17.8 -7.1 27.8 116 147 A V H X>S+ 0 0 0 -4,-2.8 4,-1.8 -5,-0.2 5,-1.6 0.878 113.9 45.0 -54.5 -39.1 14.4 -7.8 26.4 117 148 A K H <5S+ 0 0 144 -4,-1.7 -2,-0.2 -5,-0.2 -1,-0.2 0.882 109.8 53.4 -74.3 -41.7 13.2 -8.6 30.0 118 149 A R H <5S+ 0 0 20 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.922 116.6 39.7 -56.6 -44.1 14.9 -5.6 31.5 119 150 A I H <5S- 0 0 31 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.807 103.1-135.0 -77.4 -32.0 13.2 -3.3 29.0 120 151 A G T <5 - 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