==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-SEP-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 11-FEB-11 2Y91 . COMPND 2 MOLECULE: BETA-LACTAMASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS LICHENIFORMIS; . AUTHOR P.POWER,E.SAUVAGE,R.HERMAN,F.KERFF,P.CHARLIER . 514 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21573.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 355 69.1 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 . 75 14.6 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 . 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 . 6 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 67 13.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 166 32.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 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 0 0 0 0 0 1 3 4 6 0 1 1 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 . 0 2 2 1 3 0 0 2 2 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 . 4 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 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 30 A K > 0 0 153 0, 0.0 4,-1.9 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -27.2 36.7 8.2 35.1 2 31 A D H > + 0 0 104 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.871 360.0 58.8 -65.0 -36.4 40.4 7.1 34.9 3 32 A D H > S+ 0 0 78 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.869 106.9 47.6 -58.9 -37.5 39.3 3.5 34.4 4 33 A F H > S+ 0 0 5 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.902 108.2 54.2 -70.8 -42.4 37.4 4.6 31.3 5 34 A A H X S+ 0 0 23 -4,-1.9 4,-1.6 1,-0.2 -2,-0.2 0.896 107.0 52.1 -54.7 -43.8 40.3 6.6 30.0 6 35 A K H X S+ 0 0 104 -4,-2.3 4,-2.7 1,-0.2 -1,-0.2 0.866 107.8 51.1 -65.8 -35.8 42.5 3.5 30.3 7 36 A L H X S+ 0 0 22 -4,-1.4 4,-2.6 2,-0.2 -1,-0.2 0.879 106.9 54.4 -65.2 -38.8 39.9 1.5 28.2 8 37 A E H <>S+ 0 0 24 -4,-2.2 5,-1.3 1,-0.2 4,-0.4 0.849 113.3 43.2 -60.1 -36.1 40.0 4.2 25.6 9 38 A E H <5S+ 0 0 134 -4,-1.6 3,-0.3 3,-0.2 -2,-0.2 0.902 114.4 49.3 -74.4 -43.8 43.8 3.8 25.4 10 39 A Q H <5S+ 0 0 143 -4,-2.7 -2,-0.2 1,-0.2 -3,-0.2 0.889 124.1 29.2 -65.7 -40.5 43.7 -0.1 25.5 11 40 A F T <5S- 0 0 35 -4,-2.6 -1,-0.2 2,-0.2 -2,-0.2 0.336 100.7-128.3-104.7 4.8 41.1 -0.4 22.8 12 41 A D T 5 + 0 0 99 -4,-0.4 222,-0.4 -3,-0.3 2,-0.3 0.915 68.6 116.9 43.7 57.3 42.0 2.8 20.8 13 42 A A < - 0 0 12 -5,-1.3 2,-0.4 -6,-0.2 220,-0.2 -0.958 69.4-112.8-144.7 156.1 38.4 4.0 20.9 14 43 A K E -A 232 0A 66 218,-3.1 218,-1.7 -2,-0.3 2,-0.4 -0.842 35.4-150.2 -88.9 133.8 36.3 6.9 22.2 15 44 A L E -A 231 0A 0 -2,-0.4 2,-0.5 216,-0.2 216,-0.2 -0.893 13.0-167.7-110.9 137.5 33.8 5.7 24.9 16 45 A G E +A 230 0A 0 214,-3.0 214,-3.4 -2,-0.4 2,-0.4 -0.988 17.5 177.4-123.7 118.9 30.4 7.2 25.7 17 46 A I E +AB 229 30A 0 13,-3.1 13,-2.0 -2,-0.5 2,-0.3 -0.983 15.9 165.4-130.6 128.8 28.8 6.1 28.9 18 47 A F E +AB 228 29A 0 210,-2.1 210,-2.6 -2,-0.4 2,-0.4 -0.932 9.9 169.0-137.9 125.1 25.6 6.9 30.8 19 48 A A E -AB 227 28A 0 9,-2.1 9,-1.9 -2,-0.3 2,-0.4 -0.990 8.4-174.2-131.9 139.8 24.3 4.8 33.6 20 49 A L E -AB 226 27A 2 206,-2.5 206,-2.8 -2,-0.4 2,-0.8 -0.997 18.7-147.8-134.5 127.4 21.5 5.5 36.0 21 50 A D E >> -A 225 0A 30 5,-2.4 4,-2.8 -2,-0.4 3,-0.9 -0.879 13.7-156.2 -90.4 111.3 20.4 3.4 39.0 22 51 A T T 34 S+ 0 0 39 202,-2.2 -1,-0.1 -2,-0.8 203,-0.1 0.619 88.0 56.4 -69.6 -12.4 16.6 4.2 39.1 23 52 A G T 34 S+ 0 0 7 201,-0.3 -1,-0.2 200,-0.2 202,-0.1 0.723 124.7 16.6 -86.0 -25.4 16.5 3.3 42.8 24 53 A T T <4 S- 0 0 44 -3,-0.9 -2,-0.2 2,-0.2 390,-0.2 0.551 90.8-126.5-122.1 -18.9 19.1 5.7 44.1 25 54 A N < + 0 0 4 -4,-2.8 2,-0.3 1,-0.3 -3,-0.1 0.703 58.7 147.3 66.2 20.8 19.6 8.3 41.2 26 55 A R - 0 0 102 -5,-0.5 -5,-2.4 230,-0.1 -1,-0.3 -0.705 29.9-162.5 -79.5 140.7 23.3 7.6 41.3 27 56 A T E -B 20 0A 41 -2,-0.3 2,-0.4 -7,-0.2 -7,-0.2 -0.835 20.8-153.0-122.4 159.7 24.9 7.9 37.8 28 57 A V E +B 19 0A 15 -9,-1.9 -9,-2.1 -2,-0.3 2,-0.3 -0.989 28.5 177.3-128.3 120.7 28.1 6.8 36.1 29 59 A T E +B 18 0A 26 -2,-0.4 2,-0.2 -11,-0.2 -11,-0.2 -0.939 19.7 167.1-128.7 151.0 29.0 9.1 33.2 30 60 A Y E S-B 17 0A 26 -13,-2.0 -13,-3.1 -2,-0.3 4,-0.1 -0.771 85.2 -21.5-162.2 117.1 31.8 9.4 30.7 31 61 A R S > S+ 0 0 88 -2,-0.2 3,-1.3 -15,-0.2 120,-0.4 0.921 84.5 166.6 40.0 52.0 31.6 11.7 27.7 32 62 A P T 3 + 0 0 19 0, 0.0 120,-2.2 0, 0.0 121,-0.3 0.693 67.7 43.3 -69.9 -19.8 27.8 11.3 28.3 33 63 A D T 3 S+ 0 0 59 117,-0.1 2,-0.4 118,-0.1 -2,-0.1 0.182 86.2 115.1-111.3 14.2 26.9 14.2 25.9 34 64 A E < - 0 0 72 -3,-1.3 117,-0.6 -4,-0.1 2,-0.2 -0.700 67.8-117.4 -87.0 137.4 29.2 13.3 23.1 35 65 A R E +E 150 0B 90 -2,-0.4 2,-0.3 115,-0.1 115,-0.2 -0.499 35.5 171.5 -79.4 138.7 27.6 12.3 19.8 36 66 A F E -E 149 0B 4 113,-2.4 113,-2.0 -2,-0.2 2,-0.2 -0.974 46.4 -92.8-135.9 150.3 28.0 8.8 18.3 37 67 A A E -E 148 0B 7 -2,-0.3 111,-0.3 111,-0.2 194,-0.2 -0.471 34.9-149.0 -54.9 125.3 26.3 7.1 15.3 38 68 A F > + 0 0 1 109,-2.0 3,-1.5 -2,-0.2 -1,-0.2 0.801 28.8 174.7 -73.0 -25.5 23.5 5.3 17.0 39 69 A A G > - 0 0 0 108,-0.5 3,-1.6 98,-0.3 4,-0.2 -0.218 66.2 -10.8 52.5-141.8 23.5 2.4 14.4 40 70 A X G > S+ 0 0 39 1,-0.3 3,-1.8 165,-0.2 4,-0.4 0.589 116.9 85.1 -69.5 -8.8 21.0 -0.5 15.3 41 71 A T G X> S+ 0 0 0 -3,-1.5 3,-1.5 1,-0.3 4,-0.8 0.853 78.0 70.6 -55.9 -28.5 20.4 0.8 18.8 42 72 A I H <> S+ 0 0 2 -3,-1.6 4,-2.3 1,-0.3 -1,-0.3 0.740 81.3 74.2 -60.8 -25.3 17.7 3.0 17.1 43 73 A K H <> S+ 0 0 0 -3,-1.8 4,-2.1 1,-0.2 -1,-0.3 0.850 91.7 54.1 -55.4 -40.4 15.7 -0.2 16.6 44 74 A A H <> S+ 0 0 1 -3,-1.5 4,-2.0 -4,-0.4 -1,-0.2 0.941 111.8 42.8 -58.5 -48.9 14.8 -0.3 20.3 45 75 A L H X S+ 0 0 0 -4,-0.8 4,-2.2 2,-0.2 -2,-0.2 0.833 110.0 57.5 -71.3 -32.5 13.4 3.3 20.2 46 76 A T H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 -1,-0.2 0.925 109.1 45.4 -61.2 -46.8 11.6 2.6 16.8 47 77 A V H X S+ 0 0 0 -4,-2.1 4,-2.9 2,-0.2 -2,-0.2 0.872 107.9 58.4 -64.3 -36.5 9.7 -0.3 18.4 48 78 A G H X S+ 0 0 0 -4,-2.0 4,-1.4 2,-0.2 -2,-0.2 0.947 110.5 42.9 -55.8 -47.7 9.0 1.9 21.5 49 79 A V H X S+ 0 0 0 -4,-2.2 4,-1.4 2,-0.2 -2,-0.2 0.907 110.7 55.1 -65.4 -43.4 7.2 4.4 19.1 50 80 A L H >X S+ 0 0 1 -4,-2.6 4,-2.7 1,-0.2 3,-1.0 0.953 107.4 50.5 -53.9 -48.2 5.5 1.6 17.2 51 81 A L H 3< S+ 0 0 0 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.819 105.4 57.1 -62.5 -31.1 4.1 0.3 20.5 52 82 A Q H 3< S+ 0 0 60 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.812 117.7 33.8 -60.3 -33.6 2.8 3.8 21.3 53 83 A Q H << S+ 0 0 82 -4,-1.4 2,-0.4 -3,-1.0 -2,-0.2 0.732 110.6 64.0-100.1 -27.8 0.9 3.8 18.0 54 86 A K < - 0 0 36 -4,-2.7 2,-0.1 -5,-0.2 -1,-0.0 -0.807 68.8-136.3-105.8 140.6 -0.3 0.2 17.5 55 87 A S > - 0 0 53 -2,-0.4 4,-1.0 1,-0.1 -2,-0.1 -0.384 37.7-102.7 -72.7 166.7 -2.6 -1.9 19.6 56 88 A I T >4 S+ 0 0 58 1,-0.2 3,-0.6 2,-0.2 4,-0.3 0.897 125.5 48.8 -60.3 -42.4 -1.5 -5.5 20.3 57 89 A E G >4 S+ 0 0 162 1,-0.2 3,-1.2 2,-0.2 -1,-0.2 0.804 101.3 65.0 -70.1 -27.1 -4.0 -6.9 17.7 58 90 A D G >4 S+ 0 0 68 1,-0.2 3,-1.7 2,-0.2 29,-0.3 0.835 92.4 64.4 -54.8 -34.4 -2.6 -4.2 15.3 59 91 A L G << S+ 0 0 0 -4,-1.0 29,-2.7 -3,-0.6 28,-0.5 0.681 88.6 67.5 -69.6 -16.6 0.7 -6.2 15.6 60 92 A N G < S+ 0 0 97 -3,-1.2 -1,-0.3 -4,-0.3 2,-0.2 0.546 73.6 119.1 -77.1 -7.1 -1.0 -9.2 14.0 61 93 A Q < - 0 0 87 -3,-1.7 26,-1.6 -4,-0.2 2,-0.4 -0.414 66.7-127.8 -61.9 125.8 -1.2 -7.2 10.7 62 94 A R E -F 86 0C 121 24,-0.2 2,-0.5 -2,-0.2 24,-0.3 -0.638 19.1-158.2 -78.1 128.8 0.7 -9.0 7.9 63 95 A I E -F 85 0C 18 22,-3.5 22,-2.2 -2,-0.4 2,-0.3 -0.929 7.0-156.8-106.3 129.1 3.2 -6.8 6.0 64 96 A T + 0 0 112 -2,-0.5 2,-0.3 20,-0.2 17,-0.1 -0.765 19.1 161.4-105.3 157.2 4.2 -7.9 2.6 65 97 A Y - 0 0 12 16,-0.5 2,-0.2 -2,-0.3 19,-0.1 -0.955 24.6-122.4-165.4 167.9 7.4 -7.0 0.8 66 98 A T >> - 0 0 72 -2,-0.3 3,-0.8 1,-0.1 4,-0.6 -0.606 35.7 -96.8-119.5 173.2 9.7 -8.1 -2.1 67 99 A R G >4 S+ 0 0 169 1,-0.2 3,-1.1 -2,-0.2 -1,-0.1 0.869 125.0 60.7 -51.8 -39.6 13.2 -9.1 -2.9 68 100 A D G 34 S+ 0 0 150 1,-0.2 -1,-0.2 0, 0.0 -3,-0.0 0.811 97.5 56.7 -57.4 -36.2 13.6 -5.5 -3.9 69 101 A D G <4 S+ 0 0 64 -3,-0.8 -1,-0.2 2,-0.0 -2,-0.2 0.641 86.7 102.1 -72.4 -18.7 12.8 -4.3 -0.3 70 102 A L << - 0 0 32 -3,-1.1 2,-0.1 -4,-0.6 4,-0.0 -0.462 53.2-170.4 -70.5 135.4 15.6 -6.4 1.1 71 103 A V - 0 0 47 -2,-0.2 3,-0.2 2,-0.1 -1,-0.1 0.047 44.4 -63.6-102.8-143.2 18.8 -4.6 2.1 72 104 A N S S+ 0 0 102 1,-0.2 2,-0.5 -2,-0.1 -2,-0.1 0.860 119.4 35.0 -80.3 -37.9 22.2 -5.9 3.2 73 105 A Y + 0 0 112 25,-0.1 27,-2.5 1,-0.1 28,-0.4 -0.849 62.0 147.8-127.4 92.9 21.5 -7.8 6.5 74 106 A N > + 0 0 7 -2,-0.5 4,-2.0 -3,-0.2 5,-0.3 -0.418 5.3 162.3-127.3 58.4 18.2 -9.6 6.5 75 107 A P T 4 S+ 0 0 29 0, 0.0 -1,-0.2 0, 0.0 4,-0.1 0.806 84.6 16.6 -52.7 -37.4 18.7 -12.8 8.7 76 108 A I T >4 S+ 0 0 42 2,-0.1 3,-1.7 17,-0.1 4,-0.2 0.872 122.4 54.7-100.1 -50.4 14.9 -13.2 9.2 77 109 A T G >4 S+ 0 0 0 1,-0.3 3,-1.6 2,-0.2 4,-0.2 0.786 99.7 61.6 -61.1 -31.3 13.1 -11.2 6.6 78 110 A E G 3< S+ 0 0 84 -4,-2.0 3,-0.5 1,-0.3 -1,-0.3 0.742 100.4 58.0 -68.1 -18.9 14.9 -12.7 3.6 79 111 A K G < S+ 0 0 126 -3,-1.7 -1,-0.3 -5,-0.3 -2,-0.2 0.440 109.2 42.8 -86.8 -3.5 13.4 -16.1 4.7 80 112 A H X> + 0 0 73 -3,-1.6 4,-2.7 -4,-0.2 3,-0.5 0.135 67.2 120.2-134.1 19.9 9.7 -14.8 4.4 81 113 A V T 34 S+ 0 0 23 -3,-0.5 -16,-0.5 1,-0.2 -2,-0.1 0.866 80.5 51.3 -50.2 -40.8 9.6 -12.8 1.2 82 114 A D T 34 S+ 0 0 163 1,-0.2 -1,-0.2 2,-0.1 -2,-0.1 0.807 123.2 25.8 -71.9 -32.5 6.9 -15.1 -0.2 83 115 A T T <4 S- 0 0 76 -3,-0.5 -2,-0.2 1,-0.2 -1,-0.2 0.578 96.9-138.9-108.9 -13.8 4.6 -15.0 2.8 84 116 A G < - 0 0 1 -4,-2.7 2,-0.3 -19,-0.1 -20,-0.2 -0.129 20.2-103.3 70.7 179.5 5.3 -11.6 4.4 85 117 A M E -F 63 0C 3 -22,-2.2 -22,-3.5 -4,-0.1 2,-0.1 -0.972 22.2-110.7-140.7 150.8 5.6 -11.2 8.2 86 118 A T E > -F 62 0C 14 -2,-0.3 4,-2.3 -24,-0.3 -24,-0.2 -0.411 33.7-112.7 -76.7 159.3 3.3 -9.7 10.9 87 119 A L H > S+ 0 0 0 -26,-1.6 4,-2.7 -28,-0.5 5,-0.2 0.912 121.0 54.1 -60.4 -41.2 4.4 -6.5 12.6 88 120 A K H > S+ 0 0 94 -29,-2.7 4,-1.7 1,-0.2 -1,-0.2 0.872 109.2 47.6 -57.6 -43.3 4.9 -8.5 15.8 89 121 A E H > S+ 0 0 89 -30,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.852 111.8 50.7 -65.8 -38.6 7.2 -10.9 13.9 90 122 A L H X S+ 0 0 0 -4,-2.3 4,-2.8 2,-0.2 -2,-0.2 0.890 108.0 51.7 -64.9 -42.9 9.1 -7.9 12.4 91 123 A A H X S+ 0 0 0 -4,-2.7 4,-2.5 2,-0.2 5,-0.3 0.913 110.6 50.8 -58.7 -41.6 9.6 -6.3 15.8 92 124 A D H X S+ 0 0 34 -4,-1.7 4,-2.5 2,-0.2 5,-0.5 0.925 112.5 44.2 -60.2 -48.3 11.0 -9.6 17.0 93 125 A A H X>S+ 0 0 1 -4,-2.1 6,-1.9 1,-0.2 4,-1.6 0.881 114.4 49.9 -66.8 -43.3 13.4 -9.9 14.1 94 126 A S H X5S+ 0 0 0 -4,-2.8 4,-0.6 4,-0.3 -1,-0.2 0.930 119.4 34.9 -62.3 -46.5 14.5 -6.2 14.4 95 127 A L H <5S+ 0 0 1 -4,-2.5 108,-0.2 -5,-0.2 -2,-0.2 0.883 127.4 32.9 -78.5 -40.8 15.2 -6.3 18.1 96 128 A R H <5S+ 0 0 32 -4,-2.5 87,-2.1 -5,-0.3 88,-0.3 0.751 135.0 23.1 -95.8 -25.4 16.5 -9.8 18.7 97 129 A Y H <5S- 0 0 81 -4,-1.6 -3,-0.2 -5,-0.5 -2,-0.2 0.461 96.0-125.1-114.0 -6.5 18.4 -10.4 15.4 98 130 A S << - 0 0 6 -4,-0.6 2,-0.3 -5,-0.5 -4,-0.3 0.848 38.4-173.7 61.3 38.0 19.0 -6.8 14.3 99 131 A D > - 0 0 0 -6,-1.9 4,-1.7 1,-0.1 -1,-0.2 -0.474 14.3-156.2 -66.1 120.8 17.3 -7.5 11.0 100 132 A N H > S+ 0 0 0 -27,-2.5 4,-2.2 -2,-0.3 34,-0.4 0.848 90.3 49.5 -72.7 -39.9 17.7 -4.3 8.9 101 133 A T H > S+ 0 0 1 -28,-0.4 4,-2.8 2,-0.2 5,-0.2 0.884 108.9 55.0 -63.8 -39.8 14.7 -4.8 6.5 102 134 A A H > S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.947 108.7 48.0 -60.6 -46.9 12.5 -5.5 9.6 103 135 A Q H X S+ 0 0 1 -4,-1.7 4,-3.1 2,-0.2 -1,-0.2 0.936 111.8 50.0 -56.0 -47.8 13.6 -2.1 11.0 104 136 A N H X S+ 0 0 12 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.909 111.3 48.2 -61.2 -42.8 12.9 -0.4 7.7 105 137 A L H X S+ 0 0 12 -4,-2.8 4,-1.8 2,-0.2 -1,-0.2 0.885 114.2 46.0 -63.6 -41.2 9.4 -1.9 7.4 106 138 A I H X S+ 0 0 0 -4,-2.5 4,-1.1 -5,-0.2 -2,-0.2 0.925 110.8 54.2 -66.5 -42.8 8.6 -0.9 11.0 107 139 A L H ><>S+ 0 0 3 -4,-3.1 5,-2.9 1,-0.2 3,-0.6 0.901 107.0 49.7 -60.2 -42.7 10.0 2.6 10.4 108 140 A K H ><5S+ 0 0 106 -4,-2.4 3,-1.9 1,-0.2 -1,-0.2 0.930 106.0 59.4 -56.7 -46.8 7.8 3.1 7.3 109 141 A Q H 3<5S+ 0 0 58 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.745 106.9 45.6 -54.0 -29.8 4.8 2.0 9.5 110 142 A I T <<5S- 0 0 8 -4,-1.1 -1,-0.3 -3,-0.6 -2,-0.2 0.399 130.3 -89.9 -99.9 3.9 5.5 4.8 12.0 111 143 A G T <>5 - 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