==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-JUL-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 08-FEB-11 3QNC . COMPND 2 MOLECULE: OXACILLINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR F.DE LUCA,M.BENVENUTI,F.CARBONI,C.POZZI,G.M.ROSSOLINI,S.MANG . 485 2 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20103.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 347 71.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 2.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 90 18.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 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 . 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 . 26 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 66 13.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 128 26.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 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 3 2 2 0 0 0 5 3 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 1 4 2 1 0 0 2 0 0 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 3 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 20 A G 0 0 109 0, 0.0 2,-0.3 0, 0.0 30,-0.2 0.000 360.0 360.0 360.0-173.9 3.1 -2.1 16.2 2 21 A S E -a 31 0A 62 28,-2.7 30,-2.0 27,-0.1 2,-0.4 -0.870 360.0-158.3-118.8 156.9 5.9 -3.7 18.3 3 22 A I E -a 32 0A 51 -2,-0.3 2,-0.4 28,-0.2 30,-0.2 -1.000 8.6-161.5-137.1 127.6 9.7 -3.3 18.1 4 23 A T E -a 33 0A 82 28,-2.6 30,-2.3 -2,-0.4 2,-0.2 -0.941 17.3-126.0-119.6 132.7 12.1 -6.0 19.4 5 24 A E E -a 34 0A 98 -2,-0.4 2,-0.5 28,-0.2 30,-0.2 -0.555 16.5-162.7 -80.0 135.9 15.7 -5.4 20.2 6 25 A N - 0 0 45 28,-3.0 3,-0.5 -2,-0.2 4,-0.4 -0.979 1.1-167.2-119.3 114.8 18.3 -7.7 18.6 7 26 A T S > S+ 0 0 115 -2,-0.5 3,-0.8 1,-0.2 4,-0.2 0.789 77.5 67.5 -74.0 -29.7 21.6 -7.5 20.4 8 27 A S T > S+ 0 0 71 1,-0.2 3,-1.4 2,-0.2 4,-0.3 0.787 88.5 64.7 -67.5 -30.8 23.7 -9.3 17.8 9 28 A W T >> S+ 0 0 13 -3,-0.5 3,-2.2 1,-0.3 4,-0.6 0.831 82.5 78.9 -61.1 -34.9 23.4 -6.5 15.2 10 29 A N H X> S+ 0 0 82 -3,-0.8 4,-2.8 -4,-0.4 3,-0.7 0.711 78.5 73.4 -42.2 -31.1 25.4 -4.1 17.5 11 30 A K H <> S+ 0 0 139 -3,-1.4 4,-1.9 -4,-0.2 -1,-0.3 0.859 91.6 53.6 -53.3 -42.6 28.6 -5.9 16.4 12 31 A E H <4 S+ 0 0 53 -3,-2.2 4,-0.3 -4,-0.3 -1,-0.2 0.763 114.0 44.0 -68.1 -26.7 28.4 -4.2 12.9 13 32 A F H XX>S+ 0 0 2 -3,-0.7 5,-2.3 -4,-0.6 3,-1.0 0.918 112.3 47.5 -80.5 -54.2 28.2 -0.8 14.7 14 33 A S H ><5S+ 0 0 83 -4,-2.8 3,-0.8 1,-0.3 -2,-0.2 0.847 104.4 62.4 -61.1 -36.4 30.9 -1.2 17.4 15 34 A A T 3<5S+ 0 0 76 -4,-1.9 -1,-0.3 -5,-0.3 -2,-0.2 0.830 115.3 33.1 -54.3 -34.5 33.3 -2.6 14.8 16 35 A E T <45S- 0 0 80 -3,-1.0 -1,-0.3 -4,-0.3 -2,-0.2 0.371 110.4-120.2-104.6 0.9 33.1 0.8 13.0 17 36 A A T <<5 + 0 0 79 -3,-0.8 2,-0.4 -4,-0.5 -3,-0.2 0.884 60.5 156.2 57.1 44.5 32.6 2.9 16.2 18 37 A V < - 0 0 13 -5,-2.3 2,-0.6 -6,-0.1 -1,-0.2 -0.810 41.3-150.5-104.2 137.4 29.2 4.1 14.9 19 38 A N + 0 0 113 -2,-0.4 199,-2.7 199,-0.3 2,-0.3 -0.949 52.7 108.2 -99.1 115.6 26.2 5.3 16.8 20 39 A G E -B 217 0A 5 -2,-0.6 2,-0.3 197,-0.3 197,-0.3 -0.950 54.1-116.7-166.5-172.0 23.1 4.5 14.7 21 40 A V E -B 216 0A 0 195,-2.9 195,-2.2 -2,-0.3 2,-0.4 -0.998 8.3-161.4-145.4 143.6 20.1 2.3 14.3 22 41 A F E -B 215 0A 0 -2,-0.3 13,-0.9 193,-0.2 2,-0.4 -0.993 7.8-168.1-122.4 133.5 18.7 -0.2 11.9 23 42 A V E +BC 214 34A 0 191,-2.4 191,-2.1 -2,-0.4 2,-0.4 -0.995 9.4 178.9-120.6 126.3 15.0 -1.1 11.7 24 43 A L E -BC 213 33A 14 9,-2.5 9,-3.0 -2,-0.4 2,-0.5 -0.998 5.2-173.7-133.3 130.1 14.1 -4.2 9.7 25 44 A a E -B 212 0A 0 187,-2.5 187,-2.8 -2,-0.4 2,-0.4 -0.981 13.8-147.5-132.9 119.9 10.5 -5.5 9.3 26 45 A K E S-B 211 0A 122 -2,-0.5 2,-1.8 5,-0.4 5,-0.2 -0.745 78.5 -17.5 -85.3 128.6 9.6 -8.8 7.6 27 46 A S S S+ 0 0 62 183,-3.0 2,-0.3 -2,-0.4 -1,-0.1 -0.196 132.2 1.7 77.2 -46.8 6.2 -8.8 5.8 28 47 A S S > S- 0 0 30 -2,-1.8 3,-0.7 3,-0.3 184,-0.1 -0.967 73.1-104.1-161.1 168.2 4.8 -5.7 7.5 29 48 A S T 3 S+ 0 0 21 -2,-0.3 3,-0.2 1,-0.2 -27,-0.1 0.346 93.2 97.6 -83.8 5.8 5.6 -3.0 10.0 30 49 A K T 3 S+ 0 0 159 1,-0.2 -28,-2.7 -29,-0.2 2,-0.4 0.860 97.4 22.6 -59.1 -36.1 3.4 -4.7 12.7 31 50 A S E < S+a 2 0A 65 -3,-0.7 -5,-0.4 -5,-0.2 2,-0.3 -0.985 78.1 175.3-136.2 122.2 6.6 -6.3 14.1 32 51 A a E -a 3 0A 6 -30,-2.0 -28,-2.6 -2,-0.4 2,-0.3 -0.899 19.9-140.4-124.5 155.5 10.1 -4.9 13.5 33 52 A A E +aC 4 24A 30 -9,-3.0 -9,-2.5 -2,-0.3 2,-0.3 -0.878 26.3 166.8-112.2 145.8 13.5 -5.7 14.8 34 53 A T E -aC 5 23A 0 -30,-2.3 -28,-3.0 -2,-0.3 3,-0.2 -0.986 43.2-132.2-150.7 160.3 16.2 -3.2 15.7 35 54 A N S S+ 0 0 13 -13,-0.9 2,-0.3 -2,-0.3 -25,-0.1 0.647 102.7 32.8 -80.1 -19.2 19.6 -2.9 17.5 36 55 A D > - 0 0 55 -14,-0.3 4,-2.3 1,-0.1 -1,-0.2 -0.867 61.3-166.8-148.6 100.7 18.3 0.1 19.6 37 56 A L H > S+ 0 0 77 -2,-0.3 4,-0.9 1,-0.2 -1,-0.1 0.919 91.8 46.8 -54.7 -47.3 14.7 0.5 20.7 38 57 A A H >4 S+ 0 0 82 1,-0.2 3,-0.9 2,-0.2 4,-0.4 0.944 114.5 44.8 -65.0 -47.9 15.1 4.2 21.8 39 58 A R H >4 S+ 0 0 21 1,-0.2 3,-1.1 2,-0.2 105,-0.4 0.823 98.7 71.7 -70.5 -27.6 16.8 5.3 18.6 40 59 A A H 3< S+ 0 0 0 -4,-2.3 105,-2.2 1,-0.3 104,-0.4 0.859 109.2 34.9 -51.4 -37.1 14.4 3.4 16.3 41 60 A S T << S+ 0 0 63 -3,-0.9 -1,-0.3 -4,-0.9 -2,-0.2 0.402 90.3 115.8-101.3 1.8 11.8 6.0 17.2 42 61 A K < - 0 0 118 -3,-1.1 102,-0.5 -4,-0.4 2,-0.4 -0.525 63.2-130.2 -72.9 140.5 14.1 9.1 17.5 43 62 A E E +G 143 0B 87 -2,-0.2 2,-0.3 100,-0.2 100,-0.3 -0.782 30.9 170.5-105.4 131.3 13.2 11.7 14.9 44 63 A Y E -G 142 0B 15 98,-2.5 98,-2.6 -2,-0.4 0, 0.0 -0.861 45.7 -79.2-129.3 162.5 15.8 13.3 12.6 45 64 A L - 0 0 7 -2,-0.3 145,-0.2 96,-0.2 96,-0.2 -0.392 38.0-142.6 -56.8 136.2 15.8 15.6 9.5 46 65 A P > - 0 0 0 0, 0.0 3,-1.9 0, 0.0 4,-0.1 0.706 27.7-178.1 -75.8 -19.8 15.1 13.3 6.5 47 66 A A G > S- 0 0 0 88,-1.7 3,-2.4 1,-0.3 4,-0.2 -0.233 70.3 -7.7 46.3-136.5 17.5 15.2 4.1 48 67 A S G > S+ 0 0 13 1,-0.3 3,-1.7 2,-0.2 -1,-0.3 0.596 121.5 78.7 -71.2 -6.8 17.3 13.6 0.6 49 68 A T G X S+ 0 0 0 -3,-1.9 3,-1.6 1,-0.3 -1,-0.3 0.769 81.0 73.2 -63.9 -18.9 15.1 10.8 1.8 50 69 A F G <> S+ 0 0 0 -3,-2.4 4,-2.6 1,-0.3 -1,-0.3 0.680 73.0 82.2 -66.3 -16.1 12.4 13.4 1.6 51 70 A X H <> S+ 0 0 0 -3,-1.7 4,-2.3 1,-0.2 -1,-0.3 0.785 83.0 64.4 -60.9 -20.5 12.7 13.1 -2.2 52 71 A I H <> S+ 0 0 2 -3,-1.6 4,-1.9 2,-0.2 -1,-0.2 0.993 110.8 30.9 -66.3 -62.4 10.3 10.1 -1.9 53 72 A P H > S+ 0 0 0 0, 0.0 4,-2.9 0, 0.0 5,-0.3 0.898 118.5 58.4 -63.0 -36.0 7.3 12.0 -0.6 54 73 A N H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.906 106.5 47.2 -59.2 -42.0 8.3 15.1 -2.5 55 74 A A H X S+ 0 0 0 -4,-2.3 4,-2.2 -5,-0.2 -1,-0.2 0.915 112.5 49.4 -64.8 -41.2 8.2 13.2 -5.8 56 75 A I H X S+ 0 0 0 -4,-1.9 4,-2.7 1,-0.2 -2,-0.2 0.942 113.7 46.2 -62.6 -44.3 4.8 11.6 -5.0 57 76 A I H X S+ 0 0 0 -4,-2.9 4,-2.5 1,-0.2 6,-0.3 0.904 108.7 55.6 -66.8 -38.9 3.4 15.1 -4.1 58 77 A G H <>S+ 0 0 0 -4,-2.5 6,-2.4 -5,-0.3 5,-1.0 0.912 113.0 42.5 -57.9 -43.8 4.9 16.6 -7.2 59 78 A L H ><5S+ 0 0 10 -4,-2.2 3,-0.9 4,-0.2 -2,-0.2 0.925 112.7 52.0 -67.9 -45.8 3.0 14.0 -9.3 60 79 A E H 3<5S+ 0 0 54 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.847 113.3 44.3 -62.2 -35.5 -0.2 14.3 -7.3 61 80 A T T 3<5S- 0 0 27 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.2 0.518 112.9-117.5 -85.2 -8.9 -0.3 18.1 -7.7 62 81 A G T < 5S+ 0 0 50 -3,-0.9 -3,-0.2 -4,-0.4 -4,-0.1 0.493 83.0 121.4 82.4 3.1 0.6 17.9 -11.4 63 82 A V S S- 0 0 43 -3,-0.1 3,-1.7 102,-0.0 -1,-0.2 -0.925 72.8 -61.6-170.1-170.1 4.0 12.3 -15.6 67 86 A E T 3 S+ 0 0 27 1,-0.3 22,-0.4 -2,-0.3 23,-0.2 0.673 126.8 56.0 -65.6 -18.3 6.7 9.6 -15.5 68 87 A H T 3 S+ 0 0 54 20,-0.1 -1,-0.3 21,-0.1 331,-0.0 0.325 74.9 137.7-100.5 9.4 8.4 10.9 -18.6 69 88 A Q < - 0 0 52 -3,-1.7 2,-0.5 1,-0.1 20,-0.5 -0.253 42.3-150.8 -54.2 131.0 8.9 14.5 -17.3 70 89 A V - 0 0 37 18,-0.1 2,-0.9 19,-0.1 18,-0.2 -0.949 5.7-144.8-104.5 130.0 12.3 15.9 -18.1 71 90 A F B -H 87 0C 27 16,-3.5 16,-2.1 -2,-0.5 2,-0.2 -0.857 26.0-142.6 -91.7 102.5 13.7 18.4 -15.6 72 91 A K - 0 0 158 -2,-0.9 2,-0.5 14,-0.2 14,-0.1 -0.491 1.2-134.1 -76.1 134.6 15.5 20.8 -17.9 73 92 A W - 0 0 78 -2,-0.2 13,-0.1 1,-0.1 11,-0.1 -0.775 6.0-151.2 -84.8 129.5 18.8 22.4 -16.9 74 93 A D - 0 0 109 -2,-0.5 -1,-0.1 2,-0.1 10,-0.1 0.433 41.0-112.4 -82.1 -0.9 18.9 26.1 -17.6 75 94 A G S S+ 0 0 48 1,-0.3 3,-0.1 10,-0.0 -1,-0.1 0.398 78.1 124.2 87.8 -3.0 22.7 26.0 -18.1 76 95 A K S S- 0 0 140 1,-0.1 -1,-0.3 0, 0.0 -2,-0.1 -0.531 73.6 -72.5 -88.7 157.3 23.4 28.1 -15.0 77 96 A P - 0 0 121 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.178 47.1-169.1 -55.6 134.4 25.7 26.9 -12.2 78 97 A R - 0 0 53 -3,-0.1 6,-0.1 2,-0.1 5,-0.1 -0.890 34.7-110.3-118.1 159.8 24.5 24.1 -9.9 79 98 A A S S+ 0 0 95 -2,-0.3 2,-0.4 4,-0.1 3,-0.1 0.729 103.4 36.0 -66.7 -24.7 26.2 23.0 -6.7 80 99 A M S > S- 0 0 86 1,-0.1 3,-1.8 0, 0.0 4,-0.3 -0.989 74.1-136.5-126.0 139.8 27.3 19.7 -8.1 81 100 A K G > S+ 0 0 178 -2,-0.4 3,-2.1 1,-0.3 -1,-0.1 0.862 104.6 66.4 -59.7 -34.2 28.5 19.0 -11.7 82 101 A Q G 3 S+ 0 0 88 1,-0.3 -1,-0.3 -3,-0.1 15,-0.1 0.664 99.1 53.1 -63.4 -14.0 26.4 15.8 -11.7 83 102 A W G < S+ 0 0 23 -3,-1.8 2,-1.9 1,-0.1 -1,-0.3 0.500 81.6 96.4 -94.1 -5.6 23.3 18.0 -11.5 84 103 A E S < S+ 0 0 61 -3,-2.1 2,-0.3 -4,-0.3 -1,-0.1 -0.456 74.6 65.3 -91.4 68.0 24.3 20.1 -14.5 85 104 A R S S- 0 0 50 -2,-1.9 2,-0.1 -14,-0.1 -11,-0.1 -0.950 95.4 -78.0-170.6 157.8 22.2 18.3 -17.1 86 105 A D - 0 0 64 -2,-0.3 2,-0.4 -13,-0.1 -14,-0.2 -0.461 55.5-162.2 -62.1 144.4 18.6 17.5 -18.0 87 106 A L B -H 71 0C 9 -16,-2.1 -16,-3.5 -2,-0.1 2,-0.1 -0.979 18.2-138.1-135.1 146.5 17.3 14.8 -15.7 88 107 A T > - 0 0 34 -2,-0.4 4,-3.0 -18,-0.2 5,-0.2 -0.355 43.2 -98.3 -82.4 175.7 14.5 12.3 -15.6 89 108 A L H > S+ 0 0 4 -20,-0.5 4,-2.2 -22,-0.4 5,-0.2 0.952 128.4 45.0 -60.9 -48.4 12.6 11.7 -12.3 90 109 A R H > S+ 0 0 22 -23,-0.2 4,-3.3 1,-0.2 5,-0.2 0.925 113.3 51.3 -61.8 -40.8 14.7 8.6 -11.6 91 110 A G H > S+ 0 0 15 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.945 110.3 48.1 -62.9 -46.9 17.9 10.5 -12.6 92 111 A A H <>S+ 0 0 0 -4,-3.0 5,-2.8 1,-0.2 4,-0.3 0.864 116.0 44.6 -62.7 -35.8 17.1 13.4 -10.3 93 112 A I H ><5S+ 0 0 1 -4,-2.2 3,-1.1 3,-0.2 -2,-0.2 0.954 112.4 50.7 -70.6 -48.6 16.4 10.9 -7.4 94 113 A Q H 3<5S+ 0 0 40 -4,-3.3 -2,-0.2 1,-0.3 -3,-0.2 0.834 118.6 36.9 -61.1 -37.2 19.4 8.7 -8.1 95 114 A V T 3<5S- 0 0 28 -4,-2.4 -1,-0.3 -5,-0.2 3,-0.2 0.396 108.5-125.2 -95.4 4.4 21.8 11.6 -8.1 96 115 A S T < 5 - 0 0 23 -3,-1.1 2,-1.9 -4,-0.3 -3,-0.2 0.932 30.1-164.0 52.1 53.6 19.9 13.4 -5.3 97 116 A A >>< - 0 0 0 -5,-2.8 4,-1.6 1,-0.2 3,-1.1 -0.481 8.5-173.2 -74.6 85.0 19.5 16.6 -7.4 98 117 A V H 3> S+ 0 0 21 -2,-1.9 4,-2.7 1,-0.3 5,-0.2 0.853 78.8 55.0 -43.0 -49.5 18.5 19.1 -4.6 99 118 A P H 3> S+ 0 0 26 0, 0.0 4,-1.8 0, 0.0 -1,-0.3 0.833 104.6 52.9 -65.8 -30.1 17.7 22.0 -7.0 100 119 A V H <> S+ 0 0 5 -3,-1.1 4,-2.0 2,-0.2 -2,-0.2 0.939 114.7 42.7 -65.4 -43.5 15.2 20.0 -9.1 101 120 A F H X S+ 0 0 0 -4,-1.6 4,-2.5 2,-0.2 -1,-0.2 0.794 108.8 57.7 -76.5 -27.0 13.4 19.1 -5.9 102 121 A Q H X S+ 0 0 39 -4,-2.7 4,-2.3 -5,-0.2 -1,-0.2 0.906 108.2 47.8 -63.2 -40.8 13.6 22.6 -4.5 103 122 A Q H X S+ 0 0 80 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.910 110.7 50.9 -66.7 -43.8 11.8 23.8 -7.6 104 123 A I H X S+ 0 0 3 -4,-2.0 4,-2.7 1,-0.2 -2,-0.2 0.941 111.1 49.1 -56.2 -49.2 9.2 21.1 -7.2 105 124 A A H X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.908 109.4 51.5 -58.8 -43.5 8.7 22.1 -3.6 106 125 A R H < S+ 0 0 105 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.893 112.9 45.5 -59.4 -41.4 8.3 25.8 -4.5 107 126 A E H < S+ 0 0 95 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.877 111.4 51.8 -72.7 -36.0 5.7 24.9 -7.1 108 127 A V H < S- 0 0 3 -4,-2.7 4,-0.5 -5,-0.2 -2,-0.2 0.948 102.3-158.2 -61.7 -48.4 3.8 22.6 -4.7 109 128 A G X - 0 0 13 -4,-2.7 4,-2.5 -5,-0.2 5,-0.2 0.101 27.1 -75.1 82.9 162.4 3.8 25.4 -2.2 110 129 A E H > S+ 0 0 112 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.884 123.5 51.3 -64.6 -46.2 3.4 25.4 1.6 111 130 A V H > S+ 0 0 127 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.957 116.1 39.8 -61.0 -50.0 -0.4 24.7 1.9 112 131 A R H > S+ 0 0 93 -4,-0.5 4,-2.3 2,-0.2 5,-0.2 0.903 114.6 53.6 -65.8 -38.9 -0.3 21.7 -0.4 113 132 A M H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.928 110.2 47.3 -60.2 -45.6 2.9 20.4 1.0 114 133 A Q H X S+ 0 0 61 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.911 109.8 54.6 -61.0 -43.4 1.5 20.5 4.6 115 134 A K H X S+ 0 0 94 -4,-2.1 4,-2.2 -5,-0.2 -2,-0.2 0.920 110.7 43.9 -57.5 -48.3 -1.7 18.8 3.4 116 135 A Y H X S+ 0 0 20 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.856 108.3 56.0 -72.9 -35.4 0.1 15.8 1.9 117 136 A L H <>S+ 0 0 0 -4,-2.2 5,-2.5 -5,-0.2 4,-0.3 0.902 110.1 47.9 -63.9 -33.7 2.5 15.4 4.8 118 137 A K H ><5S+ 0 0 121 -4,-2.0 3,-1.4 3,-0.2 -2,-0.2 0.944 111.3 50.0 -65.8 -46.7 -0.5 15.1 7.1 119 138 A K H 3<5S+ 0 0 85 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.870 114.6 44.5 -57.6 -37.7 -2.1 12.6 4.7 120 139 A F T 3<5S- 0 0 9 -4,-2.5 -1,-0.3 -5,-0.1 -2,-0.2 0.406 104.0-129.4 -87.0 -0.9 1.1 10.5 4.6 121 140 A S T < 5 - 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0 0 120 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.196 44.8-161.0 -54.3 130.4 6.7 -31.8 -10.7 321 97 B R - 0 0 48 2,-0.1 6,-0.1 -3,-0.1 5,-0.0 -0.792 31.3-109.8-111.7 159.6 7.8 -29.0 -13.0 322 98 B A S S+ 0 0 96 -2,-0.3 2,-0.4 1,-0.1 -1,-0.1 0.785 104.8 41.9 -58.0 -30.5 10.3 -29.0 -15.9 323 99 B M S > S- 0 0 84 1,-0.1 3,-1.7 0, 0.0 4,-0.4 -0.971 71.8-140.5-125.1 136.1 12.8 -27.0 -13.8 324 100 B K G > S+ 0 0 180 -2,-0.4 3,-1.5 1,-0.3 -1,-0.1 0.856 104.8 62.0 -55.4 -37.0 13.7 -27.2 -10.1 325 101 B Q G 3 S+ 0 0 84 1,-0.3 -1,-0.3 13,-0.1 15,-0.1 0.641 99.2 54.8 -68.6 -15.3 13.8 -23.4 -10.0 326 102 B W G < S+ 0 0 26 -3,-1.7 2,-1.9 1,-0.1 -1,-0.3 0.525 82.1 95.9 -88.4 -8.2 10.0 -23.2 -11.0 327 103 B E S < S+ 0 0 60 -3,-1.5 2,-0.3 -4,-0.4 -1,-0.1 -0.421 75.6 63.5 -88.7 65.6 9.1 -25.5 -8.0 328 104 B R S S- 0 0 95 -2,-1.9 2,-0.1 -14,-0.1 -11,-0.1 -0.954 95.8 -75.1-170.6 162.3 8.2 -22.8 -5.6 329 105 B D - 0 0 67 -2,-0.3 2,-0.4 -13,-0.1 -14,-0.2 -0.445 54.7-163.2 -65.7 144.6 5.7 -19.9 -5.1 330 106 B L E -P 314 0F 9 -16,-2.0 -16,-3.3 -2,-0.1 2,-0.1 -0.984 17.9-136.7-135.9 144.8 6.5 -17.0 -7.4 331 107 B T E > -P 313 0F 29 -2,-0.4 4,-3.2 -18,-0.2 5,-0.2 -0.414 42.4 -99.1 -82.5 173.9 5.6 -13.4 -7.6 332 108 B L H > S+ 0 0 3 -20,-0.6 4,-2.2 -22,-0.5 5,-0.2 0.961 128.6 43.9 -58.4 -51.5 4.8 -11.8 -11.1 333 109 B R H > S+ 0 0 23 -23,-0.3 4,-3.1 2,-0.2 5,-0.2 0.937 114.5 50.8 -57.7 -44.0 8.4 -10.5 -11.3 334 110 B G H > S+ 0 0 12 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.939 110.0 48.6 -59.5 -47.7 9.8 -13.8 -10.0 335 111 B A H <>S+ 0 0 0 -4,-3.2 5,-2.8 1,-0.2 4,-0.2 0.882 116.0 44.4 -60.6 -39.2 7.8 -15.9 -12.6 336 112 B I H ><5S+ 0 0 0 -4,-2.2 3,-0.9 -5,-0.2 -2,-0.2 0.940 113.2 49.9 -69.5 -46.7 8.9 -13.6 -15.4 337 113 B Q H 3<5S+ 0 0 39 -4,-3.1 -2,-0.2 1,-0.3 -1,-0.2 0.831 116.7 39.4 -68.0 -34.7 12.5 -13.4 -14.3 338 114 B V T 3<5S- 0 0 21 -4,-2.4 -1,-0.3 -5,-0.2 3,-0.2 0.396 109.7-124.8 -90.2 1.1 12.9 -17.3 -13.9 339 115 B S T < 5 - 0 0 21 -3,-0.9 2,-1.7 -4,-0.2 -3,-0.2 0.920 32.4-167.8 56.2 50.1 10.8 -17.7 -17.1 340 116 B A >>< - 0 0 0 -5,-2.8 4,-1.3 1,-0.2 3,-1.0 -0.508 6.8-174.6 -75.2 86.6 8.3 -20.0 -15.3 341 117 B V H 3> S+ 0 0 22 -2,-1.7 4,-2.5 1,-0.2 5,-0.2 0.850 77.0 57.8 -51.5 -46.2 6.4 -21.4 -18.4 342 118 B P H 3> S+ 0 0 32 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.848 103.3 54.3 -60.4 -30.6 3.8 -23.3 -16.4 343 119 B V H <> S+ 0 0 6 -3,-1.0 4,-1.8 1,-0.2 -2,-0.2 0.943 113.6 42.0 -62.8 -46.3 2.7 -20.1 -14.6 344 120 B F H X S+ 0 0 0 -4,-1.3 4,-2.6 2,-0.2 -1,-0.2 0.765 107.6 59.7 -76.8 -25.3 2.1 -18.4 -17.9 345 121 B Q H X S+ 0 0 44 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.913 107.8 47.1 -64.7 -40.2 0.5 -21.4 -19.5 346 122 B Q H X S+ 0 0 84 -4,-1.7 4,-2.2 -5,-0.2 -2,-0.2 0.916 110.8 51.8 -67.3 -40.4 -2.2 -21.3 -16.8 347 123 B I H X S+ 0 0 5 -4,-1.8 4,-2.5 1,-0.2 -2,-0.2 0.955 109.9 49.4 -57.5 -49.0 -2.5 -17.5 -17.3 348 124 B A H X S+ 0 0 0 -4,-2.6 4,-2.9 1,-0.2 -2,-0.2 0.896 109.0 52.3 -57.5 -46.5 -3.0 -18.1 -21.1 349 125 B R H < S+ 0 0 103 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.903 111.7 46.2 -55.2 -45.5 -5.7 -20.8 -20.5 350 126 B E H < S+ 0 0 97 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.831 111.3 51.5 -71.1 -35.8 -7.6 -18.5 -18.2 351 127 B V H < S- 0 0 4 -4,-2.5 4,-0.5 -5,-0.2 -2,-0.2 0.943 102.5-159.4 -60.8 -48.5 -7.4 -15.6 -20.7 352 128 B G X - 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