==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-MAR-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 10-JAN-10 3LCE . COMPND 2 MOLECULE: BETA-LACTAMASE OXA-10; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR M.GRETES,N.C.J.STRYNADKA . 982 4 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 39663.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 696 70.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 14 1.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 181 18.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.4 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 . 12 1.2 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 . 51 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 136 13.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 260 26.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 24 2.4 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 6 3 5 0 0 0 6 6 8 0 0 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 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 0 PARALLEL BRIDGES PER LADDER . 3 5 4 4 0 0 4 0 4 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 5 0 0 0 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 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 21 A S 0 0 116 0, 0.0 30,-2.4 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 -51.3 32.6 15.1 57.6 2 22 A I E -a 31 0A 66 28,-0.2 2,-0.3 30,-0.0 30,-0.2 -0.881 360.0-178.8-124.3 135.7 32.3 11.3 57.2 3 23 A T E -a 32 0A 86 28,-1.7 30,-2.0 -2,-0.4 2,-0.3 -0.901 26.5-119.2-129.5 148.4 32.4 8.3 59.7 4 24 A E E -a 33 0A 90 -2,-0.3 2,-0.5 28,-0.2 30,-0.2 -0.643 17.3-167.7 -90.7 145.1 32.1 4.6 59.1 5 25 A N > - 0 0 43 28,-2.8 3,-1.0 -2,-0.3 27,-0.0 -0.866 3.8-176.5-131.8 98.0 29.4 2.5 60.6 6 26 A T G > S+ 0 0 92 -2,-0.5 3,-1.2 1,-0.3 4,-0.3 0.565 73.3 75.3 -78.4 -5.7 30.3 -1.1 60.2 7 27 A S G > S+ 0 0 48 1,-0.2 3,-1.7 2,-0.1 4,-0.3 0.887 85.9 67.8 -70.7 -27.3 27.1 -2.4 61.6 8 28 A W G < S+ 0 0 8 -3,-1.0 4,-0.5 1,-0.3 -1,-0.2 0.447 80.6 75.8 -70.0 -0.8 25.4 -1.4 58.3 9 29 A N G X> S+ 0 0 61 -3,-1.2 4,-3.1 1,-0.2 3,-0.8 0.761 74.0 79.9 -80.8 -21.0 27.3 -4.1 56.4 10 30 A K H <> S+ 0 0 137 -3,-1.7 4,-3.0 1,-0.3 5,-0.2 0.931 92.7 50.6 -49.1 -50.7 25.0 -6.8 57.8 11 31 A E H 3> S+ 0 0 62 -4,-0.3 4,-0.7 1,-0.2 -1,-0.3 0.811 113.4 45.1 -56.5 -35.8 22.4 -5.8 55.2 12 32 A F H X4>S+ 0 0 5 -3,-0.8 5,-2.4 -4,-0.5 3,-0.8 0.937 114.3 45.6 -75.9 -46.7 24.9 -6.0 52.4 13 33 A S H ><5S+ 0 0 90 -4,-3.1 3,-1.6 1,-0.3 -2,-0.2 0.904 101.1 67.8 -66.8 -39.0 26.6 -9.3 53.4 14 34 A A H 3<5S+ 0 0 73 -4,-3.0 -1,-0.3 -5,-0.4 -2,-0.2 0.911 115.0 29.9 -38.9 -43.5 23.2 -10.9 53.9 15 35 A E T <<5S- 0 0 77 -3,-0.8 -1,-0.3 -4,-0.7 -2,-0.2 0.319 108.2-116.2-106.4 4.0 22.8 -10.6 50.2 16 36 A A T < 5 + 0 0 90 -3,-1.6 2,-0.5 -4,-0.4 -3,-0.2 0.868 62.6 158.8 60.1 38.1 26.4 -10.8 48.9 17 37 A V < - 0 0 12 -5,-2.4 2,-0.7 -6,-0.1 -1,-0.2 -0.810 39.2-151.5-100.9 127.4 25.9 -7.2 47.7 18 38 A N + 0 0 110 -2,-0.5 202,-2.8 202,-0.3 2,-0.3 -0.899 52.2 112.8 -93.5 109.8 28.9 -4.9 47.0 19 39 A G E -B 219 0A 6 -2,-0.7 2,-0.3 200,-0.3 200,-0.3 -0.878 51.9-126.4-162.2-178.7 27.4 -1.4 47.6 20 40 A V E -B 218 0A 0 198,-2.6 198,-2.2 -2,-0.3 2,-0.4 -0.996 6.7-160.8-149.3 143.5 27.5 1.7 49.8 21 41 A F E -B 217 0A 0 -2,-0.3 13,-0.9 196,-0.2 2,-0.4 -0.997 6.8-167.0-120.0 134.5 24.9 3.7 51.6 22 42 A V E -BC 216 33A 0 194,-2.9 194,-2.5 -2,-0.4 2,-0.4 -0.988 9.0-178.4-121.7 132.7 25.6 7.3 52.7 23 43 A L E -BC 215 32A 12 9,-2.3 9,-2.4 -2,-0.4 2,-0.4 -0.996 3.3-174.6-137.1 126.0 23.2 8.9 55.2 24 44 A a E -BC 214 31A 0 190,-3.0 190,-2.8 -2,-0.4 2,-0.4 -0.978 14.1-147.6-129.0 123.4 23.5 12.4 56.5 25 45 A K E S-B 213 0A 107 5,-0.9 2,-2.0 -2,-0.4 188,-0.2 -0.800 79.5 -17.8 -90.7 134.2 21.3 14.0 59.2 26 46 A S S S+ 0 0 60 186,-3.6 2,-0.3 -2,-0.4 -1,-0.1 -0.193 131.2 1.9 67.6 -43.4 20.6 17.8 58.8 27 47 A S S > S- 0 0 23 -2,-2.0 3,-1.6 3,-0.3 -2,-0.1 -0.989 75.6 -97.2-163.8 167.6 23.4 18.4 56.3 28 48 A S T 3 S+ 0 0 25 -2,-0.3 3,-0.3 1,-0.3 120,-0.1 0.542 105.8 83.1 -70.0 -2.8 26.3 17.0 54.3 29 49 A K T 3 S+ 0 0 160 1,-0.3 2,-0.3 -4,-0.1 -1,-0.3 0.622 95.8 40.6 -81.5 -5.6 28.6 18.0 57.0 30 50 A S S < S+ 0 0 66 -3,-1.6 -5,-0.9 -5,-0.2 2,-0.3 -0.712 75.6 156.7-140.9 93.2 27.8 14.9 58.9 31 51 A a E -aC 2 24A 10 -30,-2.4 -28,-1.7 -3,-0.3 2,-0.3 -0.781 21.8-160.6-110.4 154.8 27.5 11.8 57.0 32 52 A A E +aC 3 23A 19 -9,-2.4 -9,-2.3 -2,-0.3 2,-0.3 -0.961 14.3 175.6-126.3 153.6 27.9 8.1 57.9 33 53 A T E -aC 4 22A 0 -30,-2.0 -28,-2.8 -2,-0.3 3,-0.2 -0.994 38.9-131.1-150.7 154.6 28.5 5.2 55.6 34 54 A N S S+ 0 0 3 -13,-0.9 2,-0.3 -2,-0.3 -30,-0.1 0.573 103.2 36.5 -74.4 -15.0 29.2 1.4 55.6 35 55 A D > - 0 0 51 -14,-0.4 4,-1.6 1,-0.1 -1,-0.2 -0.806 61.6-170.1-150.9 95.8 32.1 1.8 53.3 36 56 A L T 4 S+ 0 0 77 -2,-0.3 4,-0.5 -3,-0.2 -1,-0.1 0.859 88.7 47.2 -55.3 -42.8 34.4 4.8 53.5 37 57 A A T >4 S+ 0 0 60 1,-0.2 3,-1.4 2,-0.2 4,-0.3 0.983 113.1 45.4 -64.9 -56.4 36.2 4.0 50.2 38 58 A R G >4 S+ 0 0 15 1,-0.3 3,-1.2 2,-0.2 105,-0.4 0.721 93.8 81.4 -64.1 -21.7 33.2 3.4 48.0 39 59 A A G 3< S+ 0 0 3 -4,-1.6 105,-2.1 1,-0.3 104,-0.3 0.801 104.9 30.1 -56.6 -33.7 31.4 6.5 49.4 40 60 A S G < S+ 0 0 78 -3,-1.4 -1,-0.3 -4,-0.5 2,-0.2 0.275 92.5 117.1-110.1 10.2 33.4 8.7 47.0 41 61 A K < - 0 0 111 -3,-1.2 102,-0.5 -4,-0.3 2,-0.4 -0.567 64.2-127.1 -69.6 144.8 33.8 6.2 44.2 42 62 A E + 0 0 85 -2,-0.2 2,-0.3 100,-0.2 100,-0.3 -0.781 30.8 173.4-109.2 140.4 32.1 7.4 41.1 43 63 A Y B -G 141 0B 42 98,-2.9 98,-1.8 -2,-0.4 156,-0.0 -0.896 45.7 -76.6-137.0 159.3 29.5 5.5 39.0 44 64 A L - 0 0 32 -2,-0.3 96,-0.2 96,-0.2 145,-0.1 -0.347 38.7-144.3 -51.1 135.1 27.2 6.1 36.0 45 65 A P > + 0 0 0 0, 0.0 3,-1.7 0, 0.0 4,-0.2 0.766 30.5 176.5 -74.5 -20.7 24.3 8.0 37.4 46 66 A A G > - 0 0 0 88,-2.0 3,-2.2 1,-0.2 4,-0.1 -0.221 69.5 -6.0 42.8-134.0 21.8 6.3 35.0 47 67 A S G > S+ 0 0 9 1,-0.3 3,-1.9 2,-0.2 -1,-0.2 0.623 121.8 75.7 -69.7 -12.0 18.3 7.5 35.9 48 68 A T G X S+ 0 0 0 -3,-1.7 3,-1.7 1,-0.3 -1,-0.3 0.770 82.4 75.7 -64.6 -17.4 19.2 9.6 38.9 49 69 A F G <> S+ 0 0 0 -3,-2.2 4,-2.5 1,-0.3 5,-0.3 0.706 73.1 80.0 -67.2 -11.2 20.5 11.9 36.2 50 70 A X H <> S+ 0 0 0 -3,-1.9 4,-2.3 2,-0.2 -1,-0.3 0.819 82.7 64.8 -68.2 -22.3 16.8 12.8 35.6 51 71 A I H <> S+ 0 0 2 -3,-1.7 4,-2.0 -4,-0.2 -1,-0.2 0.998 112.0 29.5 -63.0 -62.0 17.0 15.2 38.5 52 72 A P H > S+ 0 0 0 0, 0.0 4,-3.0 0, 0.0 5,-0.2 0.891 119.3 57.8 -65.1 -34.8 19.6 17.6 37.1 53 73 A N H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.924 108.4 46.6 -60.5 -40.5 18.4 16.9 33.5 54 74 A A H X S+ 0 0 0 -4,-2.3 4,-2.0 -5,-0.3 -1,-0.2 0.926 112.5 48.6 -67.2 -44.5 14.9 18.0 34.5 55 75 A I H X S+ 0 0 0 -4,-2.0 4,-2.6 -5,-0.2 -2,-0.2 0.954 113.6 47.7 -57.0 -48.8 16.2 21.2 36.3 56 76 A I H X S+ 0 0 0 -4,-3.0 4,-2.4 1,-0.2 6,-0.3 0.887 108.5 54.2 -61.3 -40.2 18.3 22.0 33.3 57 77 A G H <>S+ 0 0 0 -4,-2.4 6,-3.1 -5,-0.2 5,-0.6 0.870 113.5 42.8 -64.0 -38.0 15.4 21.5 30.8 58 78 A L H ><5S+ 0 0 11 -4,-2.0 3,-0.9 4,-0.2 -2,-0.2 0.919 112.8 51.7 -72.4 -44.3 13.3 23.9 32.8 59 79 A E H 3<5S+ 0 0 57 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.855 114.5 44.1 -59.3 -38.9 16.1 26.5 33.2 60 80 A T T 3<5S- 0 0 26 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 0.471 111.9-119.4 -85.0 -6.8 16.7 26.4 29.5 61 81 A G T < 5S+ 0 0 48 -3,-0.9 -3,-0.2 -4,-0.3 -4,-0.1 0.463 82.2 121.7 80.6 -0.5 13.1 26.6 28.6 62 82 A V S S- 0 0 47 -3,-0.1 3,-1.7 102,-0.0 -1,-0.1 -0.918 71.0 -67.2-165.7-174.7 6.7 24.7 32.6 66 86 A E T 3 S+ 0 0 27 -2,-0.3 22,-0.5 1,-0.3 23,-0.3 0.677 125.5 56.5 -60.7 -20.9 5.7 22.3 35.3 67 87 A H T 3 S+ 0 0 54 20,-0.1 -1,-0.3 21,-0.1 2,-0.0 0.362 72.5 131.7 -99.2 6.2 2.5 21.4 33.3 68 88 A Q < - 0 0 52 -3,-1.7 20,-0.5 1,-0.1 2,-0.4 -0.344 46.1-147.2 -59.5 133.6 4.1 20.3 30.1 69 89 A V - 0 0 51 18,-0.1 2,-0.8 19,-0.1 18,-0.2 -0.884 2.3-147.8-101.1 133.0 2.8 16.9 28.8 70 90 A F B -H 86 0C 23 16,-3.0 16,-2.2 -2,-0.4 2,-0.2 -0.918 24.0-147.6-101.3 108.5 5.3 14.7 26.9 71 91 A K - 0 0 155 -2,-0.8 2,-0.4 14,-0.2 14,-0.1 -0.491 7.6-125.4 -85.4 144.4 3.2 12.9 24.4 72 92 A W - 0 0 42 -2,-0.2 13,-0.1 745,-0.2 11,-0.1 -0.786 9.8-148.6 -87.1 130.9 3.8 9.3 23.1 73 93 A D - 0 0 52 -2,-0.4 -1,-0.1 2,-0.1 745,-0.1 0.356 42.9-110.4 -79.1 0.2 4.0 9.2 19.3 74 94 A G S S+ 0 0 13 1,-0.3 743,-0.1 743,-0.1 744,-0.1 0.521 79.1 128.5 85.3 1.7 2.6 5.6 19.4 75 95 A K - 0 0 18 1,-0.1 -1,-0.3 742,-0.1 854,-0.1 -0.590 69.6 -83.1 -93.7 156.3 5.9 4.1 18.3 76 96 A P - 0 0 40 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.269 44.7-170.6 -64.0 142.2 7.4 1.3 20.3 77 97 A R - 0 0 49 2,-0.1 6,-0.1 -3,-0.1 5,-0.0 -0.855 35.9-109.1-125.1 167.1 9.5 2.0 23.4 78 98 A A S S+ 0 0 92 -2,-0.3 2,-0.4 1,-0.1 3,-0.1 0.731 103.1 44.1 -70.4 -23.2 11.6 -0.4 25.6 79 99 A M S > S- 0 0 98 1,-0.1 3,-1.0 0, 0.0 4,-0.3 -0.982 70.1-142.7-126.0 141.2 9.1 -0.3 28.4 80 100 A K G > S+ 0 0 165 -2,-0.4 3,-1.4 1,-0.2 -1,-0.1 0.819 102.6 63.7 -63.0 -34.1 5.4 -0.6 28.4 81 101 A Q G 3 S+ 0 0 102 1,-0.3 -1,-0.2 13,-0.1 15,-0.1 0.766 99.8 53.6 -66.7 -20.4 5.1 1.9 31.2 82 102 A W G < S+ 0 0 32 -3,-1.0 2,-1.8 1,-0.2 -1,-0.3 0.500 82.2 97.6 -87.1 -5.8 6.6 4.5 28.9 83 103 A E S < S+ 0 0 47 -3,-1.4 2,-0.3 -4,-0.3 -1,-0.2 -0.431 76.9 52.7 -86.5 68.1 4.1 3.9 26.2 84 104 A R S S- 0 0 76 -2,-1.8 -11,-0.1 -14,-0.1 2,-0.1 -0.931 98.4 -67.3-179.3 167.2 1.7 6.8 27.0 85 105 A D - 0 0 48 -2,-0.3 2,-0.3 -13,-0.1 -14,-0.2 -0.415 54.2-166.5 -66.3 144.3 1.6 10.5 27.6 86 106 A L B -H 70 0C 2 -16,-2.2 -16,-3.0 -2,-0.1 2,-0.1 -0.985 17.0-134.3-136.8 142.9 3.4 11.5 30.7 87 107 A T > - 0 0 35 -2,-0.3 4,-2.6 -18,-0.2 5,-0.2 -0.327 42.2 -97.5 -80.3 176.9 3.6 14.6 32.9 88 108 A L H > S+ 0 0 3 -20,-0.5 4,-1.8 -22,-0.5 5,-0.2 0.959 129.8 45.1 -60.2 -49.4 7.0 15.9 34.0 89 109 A R H > S+ 0 0 22 -23,-0.3 4,-2.9 1,-0.2 3,-0.3 0.938 113.2 51.2 -57.4 -46.5 6.5 14.2 37.4 90 110 A G H > S+ 0 0 2 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.902 107.9 51.0 -62.6 -38.2 5.2 11.0 35.6 91 111 A A H <>S+ 0 0 0 -4,-2.6 5,-2.3 1,-0.2 -1,-0.2 0.813 113.7 45.0 -72.1 -31.0 8.2 10.8 33.3 92 112 A I H ><5S+ 0 0 1 -4,-1.8 3,-1.0 -3,-0.3 -2,-0.2 0.944 113.1 50.8 -73.3 -46.0 10.6 11.1 36.3 93 113 A Q H 3<5S+ 0 0 33 -4,-2.9 -2,-0.2 1,-0.3 -3,-0.2 0.775 117.9 35.9 -65.3 -34.4 8.6 8.6 38.4 94 114 A V T 3<5S- 0 0 14 -4,-2.2 -1,-0.3 -5,-0.2 3,-0.2 0.376 109.3-125.2 -97.1 5.6 8.5 5.9 35.7 95 115 A S T < 5 - 0 0 18 -3,-1.0 2,-1.8 1,-0.2 -3,-0.2 0.923 29.0-164.5 52.0 54.9 12.0 6.8 34.5 96 116 A A >>< - 0 0 0 -5,-2.3 4,-1.3 1,-0.2 3,-0.7 -0.497 4.5-170.1 -74.2 87.9 11.0 7.3 30.9 97 117 A V H 3> S+ 0 0 25 -2,-1.8 4,-2.2 1,-0.2 -1,-0.2 0.852 78.2 53.4 -43.1 -52.9 14.5 7.3 29.3 98 118 A P H 3> S+ 0 0 32 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.854 103.3 57.5 -66.2 -30.5 13.4 8.5 25.8 99 119 A V H <> S+ 0 0 8 -3,-0.7 4,-1.9 1,-0.2 -2,-0.2 0.958 112.8 40.8 -55.3 -48.5 11.6 11.6 27.1 100 120 A F H X S+ 0 0 0 -4,-1.3 4,-2.7 2,-0.2 -1,-0.2 0.753 107.3 61.5 -75.6 -25.9 14.8 12.7 28.8 101 121 A Q H X S+ 0 0 27 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.923 108.7 44.3 -61.4 -43.8 17.0 11.7 25.8 102 122 A Q H X S+ 0 0 9 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.878 111.3 53.3 -70.3 -37.7 15.0 14.2 23.7 103 123 A I H X S+ 0 0 5 -4,-1.9 4,-2.7 -5,-0.2 -2,-0.2 0.962 109.0 49.7 -56.2 -49.3 15.3 16.8 26.5 104 124 A A H X S+ 0 0 0 -4,-2.7 4,-2.8 1,-0.2 -2,-0.2 0.921 109.1 52.7 -57.5 -45.1 19.1 16.3 26.6 105 125 A R H < S+ 0 0 31 -4,-2.0 -1,-0.2 2,-0.2 -2,-0.2 0.913 111.4 45.7 -55.0 -46.9 19.3 16.8 22.7 106 126 A E H < S+ 0 0 82 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.861 109.7 54.7 -69.5 -35.2 17.4 20.0 22.9 107 127 A V H X S- 0 0 2 -4,-2.7 4,-0.5 -5,-0.2 -2,-0.2 0.958 102.2-152.1 -57.7 -52.2 19.5 21.2 25.8 108 128 A G H X - 0 0 22 -4,-2.8 4,-2.2 -5,-0.2 5,-0.2 0.154 25.7 -83.6 94.4 146.6 22.6 20.6 23.8 109 129 A E H > S+ 0 0 112 1,-0.2 4,-2.3 2,-0.2 5,-0.3 0.871 123.3 53.9 -57.9 -41.1 26.2 19.8 24.7 110 130 A V H > S+ 0 0 129 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.960 114.5 38.8 -60.3 -52.7 27.2 23.5 25.4 111 131 A R H X S+ 0 0 90 -4,-0.5 4,-2.3 2,-0.2 -1,-0.2 0.839 115.0 53.6 -65.3 -33.0 24.4 24.2 27.9 112 132 A M H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 5,-0.2 0.933 110.5 47.5 -70.0 -43.7 24.5 20.7 29.5 113 133 A Q H X S+ 0 0 74 -4,-2.3 4,-1.5 -5,-0.2 -2,-0.2 0.942 110.7 52.4 -60.8 -48.3 28.2 21.2 30.2 114 134 A K H X S+ 0 0 95 -4,-2.2 4,-2.2 -5,-0.3 3,-0.3 0.926 111.7 45.6 -53.1 -49.2 27.6 24.6 31.6 115 135 A Y H X S+ 0 0 23 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.855 108.2 53.9 -69.5 -34.0 25.0 23.4 34.0 116 136 A L H <>S+ 0 0 0 -4,-2.2 5,-2.5 2,-0.2 4,-0.3 0.748 108.3 52.8 -73.9 -24.7 26.9 20.4 35.3 117 137 A K H ><5S+ 0 0 145 -4,-1.5 3,-1.4 -3,-0.3 -2,-0.2 0.932 110.0 46.8 -67.9 -47.8 29.7 22.8 36.1 118 138 A K H 3<5S+ 0 0 101 -4,-2.2 -2,-0.2 1,-0.3 -3,-0.2 0.899 115.6 46.7 -60.2 -36.9 27.4 25.0 38.0 119 139 A F T 3<5S- 0 0 10 -4,-2.6 -1,-0.3 -5,-0.1 -2,-0.2 0.469 102.6-130.6 -81.2 -5.4 26.0 21.9 39.8 120 140 A S T < 5 - 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0 0 20 -3,-1.3 2,-1.8 -4,-0.3 -3,-0.2 0.915 30.7-166.1 53.3 52.0 -13.3 20.2 -18.8 342 116 B A >>< - 0 0 0 -5,-2.3 4,-1.4 -6,-0.2 3,-0.9 -0.465 5.6-172.5 -73.2 83.0 -11.7 19.7 -22.2 343 117 B V H 3> S+ 0 0 24 -2,-1.8 4,-2.5 1,-0.2 3,-0.3 0.867 77.6 54.6 -42.5 -52.8 -14.8 19.6 -24.5 344 118 B P H 3> S+ 0 0 33 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.835 104.3 55.8 -64.9 -26.1 -13.1 18.6 -27.8 345 119 B V H <> S+ 0 0 7 -3,-0.9 4,-1.7 1,-0.2 -2,-0.2 0.937 113.8 40.5 -65.4 -43.2 -11.5 15.5 -26.1 346 120 B F H X S+ 0 0 0 -4,-1.4 4,-2.5 -3,-0.3 -1,-0.2 0.746 108.2 60.3 -81.4 -24.7 -14.9 14.3 -25.0 347 121 B Q H X S+ 0 0 34 -4,-2.5 4,-1.8 -5,-0.2 -1,-0.2 0.940 108.3 45.6 -61.4 -45.7 -16.5 15.3 -28.3 348 122 B Q H X S+ 0 0 82 -4,-1.9 4,-1.8 2,-0.2 -2,-0.2 0.883 111.0 53.2 -67.6 -39.2 -14.2 12.9 -30.1 349 123 B I H X S+ 0 0 5 -4,-1.7 4,-2.6 1,-0.2 -1,-0.2 0.953 108.1 50.1 -56.5 -48.9 -14.8 10.2 -27.5 350 124 B A H X S+ 0 0 0 -4,-2.5 4,-2.8 1,-0.2 -2,-0.2 0.877 107.1 55.2 -60.6 -36.7 -18.6 10.5 -28.0 351 125 B R H < S+ 0 0 101 -4,-1.8 -1,-0.2 2,-0.2 -2,-0.2 0.909 111.5 44.0 -59.6 -43.0 -18.1 10.2 -31.8 352 126 B E H < S+ 0 0 94 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.845 111.8 51.9 -75.0 -36.5 -16.3 6.9 -31.4 353 127 B V H < S- 0 0 5 -4,-2.6 4,-0.5 -5,-0.2 -2,-0.2 0.973 102.3-160.9 -60.6 -52.5 -18.7 5.6 -28.8 354 128 B G X - 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