==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 13-AUG-96 1DJA . COMPND 2 MOLECULE: BETA-LACTAMASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR C.C.H.CHEN,O.HERZBERG . 258 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11615.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 177 68.6 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 . 38 14.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.8 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 . 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 . 9 3.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 13.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 76 29.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 2.7 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 1 0 0 0 0 0 4 3 0 1 0 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 . 0 1 1 1 0 0 1 2 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 . 2 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 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 M > 0 0 88 0, 0.0 4,-1.9 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 23.6 28.6 -20.3 -21.1 2 31 A K H > + 0 0 162 1,-0.2 4,-1.4 2,-0.2 5,-0.0 0.705 360.0 54.1 -75.2 -21.1 31.7 -18.6 -19.6 3 32 A E H > S+ 0 0 104 2,-0.2 4,-1.0 3,-0.1 -1,-0.2 0.766 108.2 49.4 -82.0 -28.0 30.0 -15.3 -20.0 4 33 A L H > S+ 0 0 3 2,-0.2 4,-2.0 3,-0.2 -2,-0.2 0.888 109.4 49.6 -77.8 -40.2 27.0 -16.6 -18.1 5 34 A N H X S+ 0 0 68 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.942 112.7 50.0 -61.1 -47.4 29.0 -18.0 -15.2 6 35 A D H X S+ 0 0 95 -4,-1.4 4,-2.4 1,-0.2 -1,-0.2 0.785 106.6 54.3 -60.6 -33.7 30.8 -14.6 -15.1 7 36 A L H X S+ 0 0 9 -4,-1.0 4,-2.3 2,-0.2 -1,-0.2 0.859 106.7 51.3 -71.3 -33.5 27.4 -12.8 -15.1 8 37 A E H X>S+ 0 0 37 -4,-2.0 4,-1.5 2,-0.2 5,-1.3 0.979 112.9 45.7 -64.5 -46.6 26.4 -14.8 -12.1 9 38 A K H <5S+ 0 0 170 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.889 114.4 49.6 -60.4 -40.0 29.6 -13.8 -10.4 10 39 A K H <5S+ 0 0 127 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.836 121.8 30.4 -70.0 -36.7 29.2 -10.2 -11.4 11 40 A Y H <5S- 0 0 27 -4,-2.3 -1,-0.2 -3,-0.1 -2,-0.2 0.446 100.2-125.9-103.2 -0.6 25.6 -9.8 -10.3 12 41 A N T <5S+ 0 0 113 -4,-1.5 224,-0.3 1,-0.2 2,-0.3 0.975 71.9 116.9 51.6 61.1 25.7 -12.2 -7.4 13 42 A A < - 0 0 8 -5,-1.3 2,-0.4 -6,-0.2 -1,-0.2 -0.912 67.7-111.7-152.3 168.7 22.8 -14.0 -8.8 14 43 A H E -A 234 0A 46 220,-2.9 220,-1.5 -2,-0.3 2,-0.4 -0.930 29.4-161.2-109.4 137.3 21.5 -17.2 -10.3 15 44 A I E -A 233 0A 0 -2,-0.4 2,-0.4 218,-0.2 218,-0.2 -0.934 10.0-170.7-124.2 137.2 20.6 -17.4 -14.0 16 45 A G E -A 232 0A 0 216,-2.9 216,-2.5 -2,-0.4 2,-0.4 -0.999 17.1-178.6-123.4 126.1 18.4 -20.0 -15.8 17 46 A V E +AB 231 30A 0 13,-3.5 13,-2.0 -2,-0.4 2,-0.3 -0.983 17.4 169.6-134.4 135.9 18.4 -19.7 -19.6 18 47 A Y E +AB 230 29A 3 212,-1.8 212,-3.0 -2,-0.4 2,-0.4 -0.969 10.0 173.7-139.6 125.8 16.7 -21.6 -22.4 19 48 A A E -AB 229 28A 0 9,-1.7 9,-1.8 -2,-0.3 2,-0.4 -0.996 6.8-174.2-136.0 133.3 16.8 -20.4 -26.0 20 49 A L E -AB 228 27A 17 208,-2.5 208,-2.9 -2,-0.4 2,-0.9 -0.976 18.4-150.2-131.9 116.7 15.5 -22.2 -29.0 21 50 A D E > -A 227 0A 17 5,-2.9 4,-2.5 -2,-0.4 5,-0.3 -0.792 15.0-158.5 -80.6 109.0 15.9 -20.9 -32.6 22 51 A T T 4 S+ 0 0 44 204,-1.8 -1,-0.2 -2,-0.9 205,-0.1 0.623 84.6 59.5 -70.0 -8.0 12.7 -22.4 -34.1 23 52 A K T 4 S+ 0 0 133 203,-0.2 -1,-0.2 202,-0.2 204,-0.1 0.951 123.5 15.3 -80.5 -54.6 14.2 -22.3 -37.6 24 53 A S T 4 S- 0 0 81 2,-0.1 -2,-0.2 0, 0.0 3,-0.1 0.709 96.8-123.6 -91.0 -25.9 17.3 -24.5 -37.1 25 54 A G < + 0 0 42 -4,-2.5 2,-0.2 1,-0.3 -3,-0.1 0.501 55.9 155.3 92.2 0.1 16.3 -26.1 -33.8 26 55 A K - 0 0 96 -5,-0.3 -5,-2.9 -6,-0.1 2,-0.3 -0.458 24.1-163.2 -63.5 136.8 19.5 -24.9 -32.2 27 56 A E E -B 20 0A 79 -7,-0.2 2,-0.4 -2,-0.2 -7,-0.2 -0.932 14.6-160.6-124.0 143.7 19.2 -24.5 -28.3 28 57 A V E -B 19 0A 7 -9,-1.8 -9,-1.7 -2,-0.3 2,-0.4 -0.989 20.8-175.4-121.9 126.2 21.4 -22.6 -25.8 29 59 A K E +B 18 0A 84 -2,-0.4 2,-0.3 -11,-0.2 -11,-0.2 -0.991 18.6 167.4-128.7 139.9 21.0 -23.9 -22.2 30 60 A F E S-B 17 0A 17 -13,-2.0 -13,-3.5 -2,-0.4 -2,-0.0 -0.915 85.6 -18.3-149.9 115.3 22.4 -22.7 -18.9 31 61 A N S > S+ 0 0 63 -2,-0.3 3,-1.3 -15,-0.2 121,-0.1 0.874 87.5 156.7 52.1 40.6 20.9 -24.0 -15.6 32 62 A S T 3 + 0 0 10 1,-0.3 120,-2.0 -16,-0.1 121,-0.4 0.572 66.1 48.4 -75.1 -12.6 17.9 -25.0 -17.9 33 63 A D T 3 S+ 0 0 135 118,-0.1 2,-0.3 117,-0.1 -1,-0.3 0.225 87.0 108.6-108.6 13.2 16.7 -27.8 -15.6 34 64 A K S < S- 0 0 75 -3,-1.3 2,-0.3 1,-0.0 118,-0.1 -0.703 72.1-119.3 -90.3 136.2 16.8 -25.6 -12.4 35 65 A R + 0 0 77 -2,-0.3 2,-0.3 115,-0.2 115,-0.2 -0.624 36.4 171.4 -79.4 138.1 13.4 -24.5 -10.9 36 66 A F E -E 149 0B 0 113,-3.0 113,-2.2 -2,-0.3 2,-0.5 -0.948 41.7-101.7-137.4 156.3 12.6 -20.8 -10.7 37 67 A A E -E 148 0B 1 -2,-0.3 111,-0.2 111,-0.2 196,-0.2 -0.713 28.9-158.5 -78.4 127.8 9.3 -19.0 -9.8 38 68 A Y > - 0 0 6 109,-1.1 3,-1.8 -2,-0.5 -1,-0.1 0.745 21.1-177.8 -81.8 -16.9 7.8 -17.8 -13.1 39 69 A A G > - 0 0 0 108,-0.5 3,-1.7 98,-0.3 -1,-0.2 -0.226 64.9 -13.7 51.6-140.9 5.7 -15.1 -11.6 40 70 A S G > S+ 0 0 12 1,-0.3 3,-1.5 165,-0.2 4,-0.3 0.368 112.3 90.8 -76.8 7.2 3.6 -13.2 -14.0 41 71 A T G X> S+ 0 0 0 -3,-1.8 3,-1.3 1,-0.3 4,-0.6 0.759 77.5 73.9 -66.7 -17.9 5.4 -14.6 -17.1 42 72 A S H <> S+ 0 0 8 -3,-1.7 4,-2.3 1,-0.3 5,-0.3 0.709 73.5 77.7 -65.6 -20.7 2.6 -17.1 -16.6 43 73 A H H <> S+ 0 0 0 -3,-1.5 4,-2.4 1,-0.2 -1,-0.3 0.900 91.4 54.6 -57.1 -35.7 0.1 -14.6 -18.0 44 74 A A H <> S+ 0 0 0 -3,-1.3 4,-2.4 -4,-0.3 -1,-0.2 0.902 108.4 47.4 -63.6 -43.8 1.4 -15.5 -21.5 45 75 A I H X S+ 0 0 5 -4,-0.6 4,-2.2 2,-0.2 -1,-0.2 0.914 114.0 45.8 -62.8 -48.3 0.7 -19.2 -21.0 46 76 A N H X S+ 0 0 10 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.872 112.2 51.7 -63.6 -43.3 -2.8 -18.7 -19.7 47 77 A S H X S+ 0 0 0 -4,-2.4 4,-2.3 -5,-0.3 -2,-0.2 0.966 110.6 48.9 -60.2 -44.5 -3.6 -16.2 -22.4 48 78 A A H X S+ 0 0 0 -4,-2.4 4,-0.9 1,-0.2 -2,-0.2 0.912 108.3 53.0 -63.3 -41.1 -2.5 -18.6 -25.1 49 79 A I H >< S+ 0 0 2 -4,-2.2 3,-0.7 1,-0.2 4,-0.3 0.913 110.6 47.0 -62.2 -40.7 -4.5 -21.6 -23.7 50 80 A L H >< S+ 0 0 3 -4,-1.9 3,-2.2 1,-0.2 4,-0.5 0.933 107.6 56.2 -66.7 -43.2 -7.7 -19.5 -23.7 51 81 A L H 3< S+ 0 0 4 -4,-2.3 117,-0.4 1,-0.3 -1,-0.2 0.654 96.6 66.5 -62.7 -13.5 -6.9 -18.3 -27.3 52 82 A E T << S+ 0 0 43 -4,-0.9 -1,-0.3 -3,-0.7 -2,-0.2 0.631 111.5 34.3 -80.4 -12.8 -6.8 -22.0 -28.3 53 83 A Q S < S+ 0 0 108 -3,-2.2 -2,-0.2 -4,-0.3 -1,-0.2 0.368 109.4 62.1-127.5 9.8 -10.4 -22.2 -27.6 54 84 A V S S- 0 0 23 -4,-0.5 -1,-0.2 -3,-0.2 5,-0.1 -0.944 77.9-132.7-138.5 112.1 -11.9 -19.0 -28.5 55 87 A P > - 0 0 53 0, 0.0 3,-2.7 0, 0.0 4,-0.3 -0.335 26.6-111.4 -61.6 148.2 -11.8 -17.9 -32.1 56 88 A Y G > S+ 0 0 93 1,-0.3 3,-1.5 2,-0.2 4,-0.1 0.798 116.9 57.0 -47.4 -42.6 -10.7 -14.4 -32.7 57 89 A N G 3 S+ 0 0 118 1,-0.3 -1,-0.3 2,-0.1 3,-0.2 0.564 105.5 51.7 -71.0 -11.3 -14.1 -13.3 -33.9 58 90 A K G X S+ 0 0 120 -3,-2.7 3,-1.7 1,-0.1 -1,-0.3 0.297 76.2 100.8-106.4 9.4 -15.6 -14.5 -30.7 59 91 A L T < + 0 0 2 -3,-1.5 29,-2.0 -4,-0.3 28,-0.3 0.509 68.7 74.6 -70.8 -1.2 -13.2 -12.5 -28.5 60 92 A N T 3 + 0 0 112 -3,-0.2 -1,-0.3 27,-0.2 2,-0.1 0.451 66.8 118.2 -87.3 -8.5 -16.0 -9.9 -28.1 61 93 A K < - 0 0 118 -3,-1.7 26,-2.2 25,-0.1 2,-0.2 -0.426 60.0-136.0 -58.5 140.0 -17.9 -12.2 -25.7 62 94 A K E -F 86 0C 122 24,-0.3 2,-0.4 25,-0.1 24,-0.3 -0.648 16.2-160.9-106.0 153.3 -18.2 -10.6 -22.3 63 95 A V E -F 85 0C 10 22,-2.7 22,-2.4 -2,-0.2 2,-0.4 -0.980 25.4-115.0-132.1 142.7 -17.8 -11.8 -18.7 64 96 A H E -F 84 0C 96 -2,-0.4 2,-0.5 20,-0.2 20,-0.2 -0.654 24.1-155.1 -79.4 136.7 -19.1 -10.2 -15.6 65 97 A I + 0 0 0 18,-2.8 17,-2.2 15,-0.4 18,-0.4 -0.927 16.7 178.3-113.1 123.2 -16.6 -8.8 -13.1 66 98 A N >> - 0 0 64 -2,-0.5 3,-2.5 15,-0.2 4,-0.7 -0.753 45.1 -93.6-118.9 174.4 -17.6 -8.6 -9.5 67 99 A K G >4 S+ 0 0 168 1,-0.3 3,-0.7 -2,-0.2 14,-0.1 0.826 118.8 63.1 -52.5 -35.4 -15.9 -7.5 -6.2 68 100 A D G 34 S+ 0 0 140 1,-0.2 -1,-0.3 3,-0.0 -3,-0.0 0.591 97.3 58.4 -67.1 -9.9 -14.9 -11.0 -5.4 69 101 A D G <4 S+ 0 0 34 -3,-2.5 -1,-0.2 2,-0.0 -2,-0.2 0.762 80.1 105.4 -91.1 -22.5 -12.7 -11.1 -8.5 70 102 A I << + 0 0 51 -3,-0.7 2,-0.3 -4,-0.7 3,-0.0 -0.240 43.1 172.5 -65.5 129.8 -10.5 -8.3 -7.7 71 103 A V - 0 0 41 1,-0.1 30,-0.3 64,-0.0 29,-0.1 -0.878 43.4 -64.0-128.7 170.8 -7.0 -8.9 -6.5 72 104 A A S S+ 0 0 58 -2,-0.3 28,-0.2 1,-0.2 -1,-0.1 -0.141 112.1 21.9 -52.8 145.8 -4.0 -6.7 -5.8 73 105 A Y S S+ 0 0 148 1,-0.1 27,-2.3 26,-0.1 -1,-0.2 0.984 70.0 143.3 56.2 70.2 -2.5 -4.8 -8.7 74 106 A S > + 0 0 4 25,-0.2 4,-1.7 26,-0.2 5,-0.2 -0.672 16.7 172.2-133.6 71.3 -5.3 -4.7 -11.3 75 107 A P T 4 S+ 0 0 45 0, 0.0 4,-0.1 0, 0.0 -1,-0.1 0.777 80.6 29.4 -58.2 -26.9 -4.8 -1.3 -12.8 76 108 A I T >4 S+ 0 0 48 2,-0.1 3,-1.3 -3,-0.1 4,-0.1 0.894 119.1 49.1 -97.3 -50.3 -7.4 -1.9 -15.5 77 109 A L G >4 S+ 0 0 0 1,-0.3 3,-2.1 2,-0.2 4,-0.1 0.649 91.8 74.8 -68.8 -18.2 -9.9 -4.3 -13.9 78 110 A E G >< S+ 0 0 98 -4,-1.7 3,-0.9 1,-0.3 -1,-0.3 0.839 94.0 57.7 -64.6 -28.3 -10.5 -2.5 -10.6 79 111 A K G < S+ 0 0 136 -3,-1.3 -1,-0.3 1,-0.2 -2,-0.2 0.494 97.7 63.8 -75.9 -5.1 -12.5 -0.1 -12.8 80 112 A Y G X + 0 0 71 -3,-2.1 3,-2.9 3,-0.1 -15,-0.4 0.225 62.7 140.5-105.6 12.4 -14.8 -2.9 -13.9 81 113 A V T < S+ 0 0 55 -3,-0.9 -15,-0.2 1,-0.3 3,-0.1 -0.370 84.9 5.3 -58.6 125.3 -16.4 -4.0 -10.6 82 114 A G T 3 S+ 0 0 50 -17,-2.2 -1,-0.3 1,-0.3 2,-0.2 0.495 117.9 101.3 77.4 3.8 -20.0 -4.7 -11.3 83 115 A K S < S- 0 0 122 -3,-2.9 -18,-2.8 -18,-0.4 2,-0.4 -0.500 71.3-113.2-113.6 176.3 -19.4 -4.2 -15.0 84 116 A D E -F 64 0C 84 -20,-0.2 2,-0.4 -2,-0.2 -20,-0.2 -0.915 25.8-169.3-111.5 147.4 -18.8 -6.5 -18.0 85 117 A I E -F 63 0C 3 -22,-2.4 -22,-2.7 -2,-0.4 2,-0.1 -0.961 21.9-118.6-133.8 145.1 -15.6 -6.8 -20.0 86 118 A T E > -F 62 0C 31 -2,-0.4 4,-1.8 -24,-0.3 -24,-0.3 -0.490 26.4-117.1 -77.4 159.9 -14.9 -8.6 -23.3 87 119 A L H > S+ 0 0 2 -26,-2.2 4,-2.3 -28,-0.3 -27,-0.2 0.817 115.5 58.0 -63.7 -31.6 -12.4 -11.5 -23.4 88 120 A K H > S+ 0 0 69 -29,-2.0 4,-2.3 -27,-0.2 -1,-0.2 0.916 106.4 46.1 -67.0 -44.7 -10.2 -9.4 -25.7 89 121 A A H > S+ 0 0 19 -30,-0.3 4,-2.7 2,-0.2 -2,-0.2 0.845 110.5 54.9 -66.3 -32.1 -9.9 -6.5 -23.2 90 122 A L H X S+ 0 0 0 -4,-1.8 4,-2.6 2,-0.2 -2,-0.2 0.928 110.4 45.8 -64.2 -48.5 -9.2 -9.1 -20.4 91 123 A I H X S+ 0 0 0 -4,-2.3 4,-2.1 1,-0.2 5,-0.3 0.921 112.3 49.5 -63.3 -43.0 -6.3 -10.5 -22.5 92 124 A E H X>S+ 0 0 67 -4,-2.3 4,-2.9 2,-0.2 5,-0.6 0.929 113.0 48.4 -59.5 -45.2 -5.0 -7.0 -23.3 93 125 A A H X5S+ 0 0 4 -4,-2.7 6,-2.1 1,-0.2 4,-1.6 0.943 111.6 49.9 -60.8 -46.6 -5.1 -6.0 -19.6 94 126 A S H <5S+ 0 0 0 -4,-2.6 -1,-0.2 4,-0.2 -2,-0.2 0.854 120.9 32.5 -60.6 -38.6 -3.4 -9.2 -18.5 95 127 A M H <5S+ 0 0 2 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.877 125.5 36.4 -89.1 -45.6 -0.5 -8.8 -21.0 96 128 A T H <5S+ 0 0 40 -4,-2.9 88,-0.3 -5,-0.3 87,-0.3 0.850 133.2 23.9 -79.7 -35.8 0.0 -5.1 -21.4 97 129 A Y S < - 0 0 0 -6,-2.1 4,-1.8 1,-0.2 -25,-0.2 -0.351 16.1-158.1 -63.6 120.0 -3.3 -6.9 -14.6 100 132 A N H > S+ 0 0 10 -27,-2.3 4,-1.7 -2,-0.3 34,-0.3 0.828 88.2 53.4 -72.9 -34.8 -3.8 -9.7 -12.0 101 133 A T H > S+ 0 0 0 -30,-0.3 4,-2.2 2,-0.2 5,-0.2 0.932 108.5 52.4 -65.7 -39.8 -7.5 -9.8 -11.9 102 134 A A H > S+ 0 0 0 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.939 108.9 49.9 -61.8 -44.9 -7.6 -10.2 -15.7 103 135 A N H X S+ 0 0 0 -4,-1.8 4,-2.2 1,-0.2 -1,-0.2 0.910 111.1 47.9 -61.0 -40.2 -5.2 -13.2 -15.5 104 136 A N H X S+ 0 0 16 -4,-1.7 4,-2.1 1,-0.2 -1,-0.2 0.891 111.2 50.5 -68.2 -37.1 -7.2 -15.0 -12.8 105 137 A K H X S+ 0 0 34 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.829 108.7 52.8 -66.8 -35.3 -10.5 -14.5 -14.8 106 138 A I H X S+ 0 0 0 -4,-2.1 4,-2.2 -5,-0.2 -2,-0.2 0.927 107.9 50.4 -66.9 -40.6 -8.7 -15.9 -17.8 107 139 A I H X>S+ 0 0 3 -4,-2.2 5,-3.4 1,-0.2 4,-0.8 0.893 110.5 50.5 -62.7 -38.6 -7.7 -18.9 -15.7 108 140 A K H <5S+ 0 0 106 -4,-2.1 -1,-0.2 3,-0.2 -2,-0.2 0.872 108.1 51.9 -63.3 -44.3 -11.4 -19.3 -14.6 109 141 A E H <5S+ 0 0 53 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.880 106.5 53.9 -59.5 -41.8 -12.6 -19.1 -18.2 110 142 A I H <5S- 0 0 13 -4,-2.2 -1,-0.3 -5,-0.1 -2,-0.2 0.758 132.7 -96.8 -63.9 -25.8 -10.2 -21.8 -19.1 111 143 A G T <5 - 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