==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 07-APR-10 3MGW . COMPND 2 MOLECULE: LYSOZYME G; . SOURCE 2 ORGANISM_SCIENTIFIC: SALMO SALAR; . AUTHOR P.KYOMUHENDO,B.MYRNES,B.O.BRANDSDAL,A.O.SMALAS,I.W.NILSEN,R. . 181 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9130.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 126 69.6 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 . 10 5.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 1.1 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 . 1 0.6 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 . 5 2.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 14.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 79 43.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 2.8 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 0 0 1 1 0 2 0 0 1 0 0 0 1 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 . 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 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 5 A H 0 0 241 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 138.3 -7.9 6.1 23.7 2 6 A H - 0 0 72 1,-0.0 2,-0.7 2,-0.0 3,-0.1 -0.593 360.0-151.9 -72.9 130.6 -4.5 7.6 22.5 3 7 A D > - 0 0 54 -2,-0.3 3,-2.1 1,-0.1 4,-0.2 -0.887 9.4-167.6-112.0 102.6 -2.9 9.3 25.5 4 8 A I G > S+ 0 0 2 -2,-0.7 3,-1.4 1,-0.3 -1,-0.1 0.655 81.0 76.9 -70.9 -11.7 -0.6 12.1 24.3 5 9 A T G 3 S+ 0 0 82 1,-0.2 -1,-0.3 170,-0.1 170,-0.0 0.757 87.5 63.2 -63.4 -21.6 1.0 12.4 27.7 6 10 A K G < S+ 0 0 133 -3,-2.1 2,-0.4 2,-0.1 -1,-0.2 0.577 78.5 100.4 -79.5 -13.4 2.9 9.2 26.6 7 11 A V S < S- 0 0 3 -3,-1.4 2,-0.2 -4,-0.2 128,-0.1 -0.647 79.5-123.6 -71.2 128.0 4.6 11.1 23.8 8 12 A D + 0 0 78 -2,-0.4 2,-0.3 2,-0.0 163,-0.1 -0.500 37.4 172.3 -74.6 140.1 8.2 12.1 24.9 9 13 A T - 0 0 32 -2,-0.2 19,-0.1 162,-0.1 3,-0.1 -0.981 36.8-171.9-152.1 141.2 9.1 15.7 24.8 10 14 A S - 0 0 84 -2,-0.3 18,-0.2 1,-0.3 159,-0.1 0.142 47.8-142.9-108.2 14.4 12.0 18.0 25.9 11 15 A G - 0 0 2 157,-0.5 158,-0.4 16,-0.2 -1,-0.3 -0.175 47.7 -0.8 63.1-149.1 9.9 21.1 25.0 12 16 A A B -A 27 0A 6 15,-1.5 15,-1.0 156,-0.2 18,-0.2 -0.416 62.9-125.4 -83.5 151.9 11.4 24.3 23.4 13 17 A S > - 0 0 28 150,-0.2 4,-2.3 13,-0.1 -1,-0.1 -0.344 32.9-103.8 -79.0 167.6 14.9 25.2 22.5 14 18 A E T 4 S+ 0 0 138 1,-0.2 9,-0.2 2,-0.2 -1,-0.1 0.950 123.4 56.5 -55.9 -50.8 16.7 28.3 23.7 15 19 A I T 4 S+ 0 0 108 1,-0.2 -1,-0.2 148,-0.2 149,-0.1 0.900 111.6 43.2 -45.4 -49.6 16.2 29.8 20.3 16 20 A T T 4 0 0 7 147,-0.4 5,-0.2 1,-0.2 -1,-0.2 0.897 360.0 360.0 -67.8 -43.7 12.5 29.3 20.6 17 21 A A < 0 0 4 -4,-2.3 6,-1.5 2,-0.2 4,-1.4 0.823 360.0 360.0 -58.9 360.0 12.0 30.4 24.3 18 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 19 22 A R 0 0 182 0, 0.0 -2,-0.2 0, 0.0 -4,-0.1 0.000 360.0 360.0 360.0 -7.6 13.9 34.9 22.1 20 23 A Q + 0 0 84 -3,-0.8 -3,-0.2 3,-0.0 -4,-0.1 0.540 360.0 6.7-130.6 -54.1 10.1 34.6 21.3 21 24 A D S S- 0 0 45 -4,-1.4 -4,-0.1 -5,-0.2 -5,-0.0 -0.005 108.7-109.5-111.9 22.2 8.2 35.6 24.5 22 25 A K + 0 0 195 1,-0.2 2,-0.3 2,-0.1 -5,-0.1 0.951 58.7 176.5 52.7 60.9 11.6 36.6 26.0 23 26 A L - 0 0 36 -6,-1.5 -1,-0.2 -9,-0.2 7,-0.1 -0.757 40.9-163.6-105.8 143.8 11.7 33.7 28.4 24 27 A T + 0 0 141 -2,-0.3 -1,-0.1 2,-0.1 6,-0.1 0.604 68.6 102.9 -90.3 -17.3 14.3 32.6 30.9 25 28 A L - 0 0 66 -8,-0.1 2,-0.3 4,-0.1 -2,-0.1 -0.300 62.0-146.5 -67.0 149.6 12.6 29.2 31.1 26 29 A Q >> - 0 0 160 4,-0.0 4,-1.2 -9,-0.0 3,-1.0 -0.740 46.9 -24.7-111.7 159.6 14.0 26.2 29.3 27 30 A G H >> S+A 12 0A 17 -15,-1.0 4,-2.0 -2,-0.3 -15,-1.5 0.061 125.4 5.4 51.1-134.6 12.4 23.2 27.6 28 31 A V H 3> S+ 0 0 43 -17,-0.3 4,-2.6 1,-0.3 -1,-0.2 0.832 129.1 58.0 -60.0 -34.8 9.0 22.0 28.6 29 32 A D H <> S+ 0 0 104 -3,-1.0 4,-1.8 2,-0.2 -1,-0.3 0.881 107.5 48.4 -60.3 -40.3 8.5 25.0 31.0 30 33 A A H X S+ 0 0 0 -4,-2.6 3,-1.4 -5,-0.2 4,-0.6 0.922 109.9 52.8 -61.1 -47.7 1.0 27.7 25.1 36 39 A E H >< S+ 0 0 91 -4,-2.4 3,-1.3 1,-0.3 4,-0.4 0.903 103.6 57.2 -57.0 -42.5 -0.5 29.5 28.1 37 40 A H H 3< S+ 0 0 101 -4,-2.4 -1,-0.3 1,-0.3 4,-0.2 0.698 111.0 44.3 -60.5 -21.6 0.0 32.8 26.4 38 41 A D H S+ 0 0 123 -4,-0.4 4,-0.7 2,-0.2 -1,-0.2 0.941 115.5 42.0 -63.8 -47.6 -7.4 32.9 25.2 41 44 A R H >4 S+ 0 0 89 -4,-0.2 3,-1.2 1,-0.2 4,-0.5 0.928 111.8 56.4 -63.7 -43.5 -7.1 33.2 21.4 42 45 A M H >X S+ 0 0 0 -4,-2.8 3,-2.2 1,-0.2 4,-0.6 0.889 96.6 64.4 -54.5 -42.9 -7.1 29.4 21.1 43 46 A N H >< S+ 0 0 81 -4,-2.0 3,-0.5 1,-0.3 4,-0.4 0.766 90.4 65.3 -55.1 -28.9 -10.5 29.2 22.9 44 47 A K T << S+ 0 0 148 -3,-1.2 -1,-0.3 -4,-0.7 -2,-0.2 0.810 112.6 34.6 -60.2 -29.1 -12.2 31.1 20.1 45 48 A Y T <> S+ 0 0 5 -3,-2.2 4,-2.8 -4,-0.5 3,-0.4 0.416 86.2 104.6-107.6 0.5 -11.4 28.1 17.8 46 49 A K H S+ 0 0 137 -4,-0.4 4,-1.9 2,-0.2 -1,-0.3 0.913 115.4 41.4 -62.0 -41.8 -15.2 24.2 18.9 48 51 A L H > S+ 0 0 38 -3,-0.4 4,-2.5 2,-0.2 5,-0.2 0.889 113.2 53.0 -72.4 -41.6 -13.8 23.9 15.4 49 52 A I H X S+ 0 0 0 -4,-2.8 4,-2.5 2,-0.2 -2,-0.2 0.922 110.9 47.7 -58.0 -46.2 -10.5 22.3 16.6 50 53 A T H X S+ 0 0 39 -4,-2.6 4,-2.2 -5,-0.2 -2,-0.2 0.942 112.9 47.2 -62.6 -48.8 -12.4 19.6 18.5 51 54 A R H X S+ 0 0 79 -4,-1.9 4,-2.4 1,-0.2 -1,-0.2 0.903 113.2 47.8 -62.1 -42.6 -14.7 18.8 15.5 52 55 A V H X S+ 0 0 0 -4,-2.5 4,-1.9 1,-0.2 5,-0.2 0.932 111.0 52.0 -65.8 -43.8 -11.8 18.7 13.0 53 56 A G H X>S+ 0 0 1 -4,-2.5 5,-2.5 -5,-0.2 4,-1.2 0.902 111.6 47.2 -57.8 -40.1 -9.8 16.4 15.4 54 57 A Q H <5S+ 0 0 142 -4,-2.2 3,-0.3 1,-0.2 -1,-0.2 0.930 110.3 51.0 -72.3 -41.5 -12.8 14.1 15.7 55 58 A K H <5S+ 0 0 155 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.803 120.0 35.5 -64.4 -31.1 -13.5 13.9 12.0 56 59 A H H <5S- 0 0 54 -4,-1.9 -1,-0.2 2,-0.2 -2,-0.2 0.483 110.6-116.8-102.0 -7.1 -9.8 13.1 11.2 57 60 A G T <5S+ 0 0 70 -4,-1.2 2,-0.4 -3,-0.3 -3,-0.2 0.870 70.8 127.1 72.4 41.5 -9.1 10.9 14.3 58 61 A L < - 0 0 16 -5,-2.5 -1,-0.2 -6,-0.2 -2,-0.2 -0.993 69.2 -97.3-128.8 138.2 -6.5 13.1 15.8 59 62 A D >> - 0 0 36 -2,-0.4 4,-1.3 1,-0.2 3,-1.1 -0.248 25.5-139.2 -53.4 124.2 -6.3 14.5 19.3 60 63 A P H 3> S+ 0 0 19 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.816 102.2 63.9 -54.5 -30.7 -7.7 18.1 19.3 61 64 A A H 3> S+ 0 0 0 121,-0.3 4,-1.9 1,-0.2 116,-0.2 0.850 100.0 51.8 -65.1 -30.8 -4.9 19.0 21.8 62 65 A I H <> S+ 0 0 0 -3,-1.1 4,-2.4 2,-0.2 -1,-0.2 0.895 107.8 51.6 -69.6 -42.8 -2.3 18.3 19.1 63 66 A I H X S+ 0 0 0 -4,-1.3 4,-2.8 1,-0.2 -2,-0.2 0.940 110.9 49.4 -57.3 -44.4 -4.1 20.5 16.6 64 67 A A H X S+ 0 0 0 -4,-2.3 4,-2.8 1,-0.2 -2,-0.2 0.880 108.6 52.0 -61.7 -39.8 -4.0 23.2 19.3 65 68 A G H X S+ 0 0 0 -4,-1.9 4,-2.4 2,-0.2 -1,-0.2 0.908 110.9 48.0 -63.1 -43.1 -0.3 22.7 19.8 66 69 A I H X S+ 0 0 0 -4,-2.4 4,-3.4 2,-0.2 5,-0.3 0.951 112.3 48.6 -59.8 -54.1 0.3 23.1 16.1 67 70 A I H X>S+ 0 0 0 -4,-2.8 4,-2.3 2,-0.2 6,-1.3 0.907 112.1 49.4 -56.6 -43.7 -1.8 26.3 15.9 68 71 A S H X5S+ 0 0 0 -4,-2.8 4,-1.7 4,-0.3 -1,-0.2 0.969 116.8 41.4 -58.8 -48.8 0.0 27.8 19.0 69 72 A R H <5S+ 0 0 24 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.950 120.0 42.6 -65.1 -49.8 3.4 27.0 17.5 70 73 A E H <5S- 0 0 47 -4,-3.4 -1,-0.2 -5,-0.2 -2,-0.2 0.852 138.9 -1.7 -64.1 -41.4 2.6 28.0 13.9 71 74 A S H <>S- 0 0 0 -4,-2.3 5,-2.4 19,-0.3 3,-0.4 0.368 87.1-112.4-137.5 0.9 0.6 31.2 14.4 72 75 A R T >< 5S+ 0 0 8 -3,-0.4 3,-1.7 -7,-0.3 -1,-0.3 -0.038 117.5 105.6 105.5 -26.0 -3.5 34.1 15.0 75 78 A S T < 5S+ 0 0 78 -3,-1.9 -3,-0.2 1,-0.3 -2,-0.1 0.742 81.2 48.7 -58.6 -29.5 -1.5 36.7 16.9 76 79 A A T 3 S-B 81 0B 118 3,-2.7 3,-1.8 -2,-0.2 -3,-0.1 -0.913 87.8 -36.5-107.8 100.1 -0.6 39.5 9.2 79 82 A H T 3 S- 0 0 164 -2,-0.7 -1,-0.1 1,-0.3 25,-0.1 0.902 128.8 -37.9 48.0 48.0 -4.2 39.1 8.0 80 83 A G T 3 S+ 0 0 1 1,-0.2 9,-2.9 -6,-0.2 2,-0.3 0.186 117.6 111.0 98.5 -14.7 -3.9 35.4 7.9 81 84 A W E < +BC 78 88B 95 -3,-1.8 -3,-2.7 7,-0.2 2,-0.3 -0.711 31.7 155.2-102.7 140.7 -0.3 35.2 6.5 82 85 A G E > + C 0 87B 12 5,-2.4 5,-2.0 -2,-0.3 3,-0.5 -0.868 48.9 54.2-142.1-178.1 3.0 34.1 8.2 83 86 A D T > 5S- 0 0 93 -2,-0.3 3,-2.0 1,-0.2 -1,-0.1 0.928 132.2 -53.0 57.2 46.9 6.5 32.8 7.2 84 87 A H T 3 5S- 0 0 186 1,-0.3 -1,-0.2 2,-0.1 -2,-0.0 0.836 109.2 -52.5 56.8 33.9 7.2 35.7 4.8 85 88 A G T 3 5S+ 0 0 40 -3,-0.5 -1,-0.3 2,-0.2 -2,-0.2 0.323 119.5 106.5 86.9 -9.1 3.9 34.9 3.1 86 89 A K T < 5S+ 0 0 60 -3,-2.0 9,-2.4 -4,-0.2 10,-0.4 0.863 71.2 63.7 -69.5 -33.2 4.5 31.2 2.5 87 90 A G E < -CD 82 94B 2 -5,-2.0 -5,-2.4 7,-0.2 2,-0.4 -0.773 65.2-162.0-105.4 137.0 2.1 30.1 5.2 88 91 A F E > -CD 81 93B 19 5,-2.3 5,-1.9 -2,-0.4 3,-0.2 -0.917 45.6 -11.2-113.2 134.5 -1.6 30.6 5.4 89 92 A G T > 5S- 0 0 0 -9,-2.9 3,-1.3 -2,-0.4 16,-0.2 0.042 97.6 -42.6 86.0 175.1 -3.9 30.4 8.4 90 93 A L T 3 5S+ 0 0 0 14,-2.0 -19,-0.3 1,-0.3 -17,-0.3 0.801 141.0 37.7 -49.2 -36.6 -3.9 29.2 12.0 91 94 A M T 3 5S- 0 0 0 -3,-0.2 -1,-0.3 13,-0.2 -2,-0.2 0.392 107.5-126.0-102.4 -2.3 -2.0 26.0 11.0 92 95 A Q T < 5 - 0 0 17 -3,-1.3 2,-0.2 -4,-0.2 -3,-0.2 0.927 27.1-162.0 55.5 54.6 0.2 27.8 8.4 93 96 A V E < -D 88 0B 2 -5,-1.9 -5,-2.3 1,-0.1 2,-0.9 -0.514 27.1-113.8 -61.6 127.9 -0.4 25.6 5.4 94 97 A D E >> -D 87 0B 36 -2,-0.2 3,-2.1 -7,-0.2 4,-0.8 -0.567 24.8-160.3 -76.8 105.1 2.3 26.2 2.8 95 98 A K T 34 S+ 0 0 113 -9,-2.4 3,-0.5 -2,-0.9 -1,-0.2 0.795 84.7 68.9 -58.2 -31.4 0.5 27.8 -0.1 96 99 A R T 34 S+ 0 0 142 -10,-0.4 -1,-0.3 1,-0.2 3,-0.1 0.684 111.4 31.3 -57.5 -21.7 3.4 26.9 -2.5 97 100 A Y T <4 S+ 0 0 164 -3,-2.1 2,-0.3 1,-0.2 -1,-0.2 0.459 119.5 43.6-121.0 -3.4 2.4 23.2 -2.2 98 101 A H S < S- 0 0 70 -4,-0.8 2,-0.7 -3,-0.5 -1,-0.2 -0.993 78.7-114.5-143.9 141.7 -1.3 23.1 -1.6 99 102 A K - 0 0 168 -2,-0.3 2,-0.2 -3,-0.1 -3,-0.1 -0.767 47.7-124.9 -74.9 118.4 -4.3 24.8 -3.1 100 103 A I - 0 0 21 -2,-0.7 2,-0.4 -5,-0.1 9,-0.1 -0.426 28.4-167.1 -71.7 132.8 -5.5 26.8 -0.0 101 104 A V + 0 0 39 -2,-0.2 11,-0.2 7,-0.1 5,-0.1 -0.945 42.9 7.5-121.1 144.3 -9.1 26.3 1.1 102 105 A G S S- 0 0 33 -2,-0.4 2,-0.1 6,-0.1 -13,-0.0 0.171 90.2 -55.6 86.3 167.1 -11.1 28.4 3.6 103 106 A A > - 0 0 56 1,-0.1 3,-2.0 2,-0.0 6,-0.3 -0.345 61.1 -99.4 -72.3 164.9 -10.6 31.6 5.5 104 107 A W T 3 S+ 0 0 63 1,-0.3 -14,-2.0 -15,-0.1 -13,-0.2 0.735 123.9 34.4 -61.5 -27.5 -7.5 31.9 7.6 105 108 A D T 3 S+ 0 0 45 -16,-0.2 -1,-0.3 -15,-0.1 2,-0.1 -0.019 99.0 123.1-112.1 23.3 -9.4 31.1 10.9 106 109 A S S <> S- 0 0 23 -3,-2.0 4,-2.4 -5,-0.1 5,-0.2 -0.452 71.5-122.6 -92.6 160.2 -11.9 28.7 9.3 107 110 A E H > S+ 0 0 51 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.894 115.2 55.5 -58.7 -42.0 -12.9 25.0 9.9 108 111 A K H > S+ 0 0 143 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.863 109.6 46.5 -60.9 -41.8 -12.1 24.2 6.3 109 112 A H H > S+ 0 0 0 -6,-0.3 4,-2.6 2,-0.2 5,-0.3 0.930 111.7 49.4 -64.3 -48.9 -8.6 25.6 6.9 110 113 A I H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.901 111.6 51.1 -59.2 -39.0 -8.1 23.7 10.2 111 114 A S H X S+ 0 0 22 -4,-2.8 4,-2.6 2,-0.2 -1,-0.2 0.888 109.1 50.6 -62.7 -42.3 -9.3 20.6 8.3 112 115 A Q H X S+ 0 0 22 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.942 112.5 44.9 -61.7 -48.4 -6.7 21.2 5.5 113 116 A G H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.916 114.4 50.6 -60.8 -46.8 -3.8 21.6 7.9 114 117 A T H X S+ 0 0 0 -4,-2.4 4,-2.5 -5,-0.3 -2,-0.2 0.918 108.8 50.8 -55.9 -47.1 -5.0 18.5 9.9 115 118 A E H X S+ 0 0 106 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.900 110.1 50.5 -58.9 -42.8 -5.2 16.4 6.7 116 119 A I H X S+ 0 0 22 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.920 110.3 49.7 -62.2 -44.1 -1.7 17.4 5.7 117 120 A L H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.914 108.8 52.3 -58.5 -45.7 -0.4 16.4 9.2 118 121 A I H X S+ 0 0 30 -4,-2.5 4,-2.9 2,-0.2 -1,-0.2 0.909 106.9 53.1 -57.0 -45.2 -2.1 13.0 9.0 119 122 A E H X S+ 0 0 81 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.910 108.8 49.0 -60.6 -42.9 -0.5 12.4 5.6 120 123 A F H X S+ 0 0 33 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.914 109.5 52.0 -59.2 -44.5 2.9 13.1 7.2 121 124 A I H X S+ 0 0 16 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.938 108.5 52.8 -58.5 -45.4 2.1 10.7 10.1 122 125 A R H X S+ 0 0 136 -4,-2.9 4,-1.9 1,-0.2 -1,-0.2 0.875 108.5 49.3 -51.2 -46.5 1.2 8.1 7.4 123 126 A R H X S+ 0 0 114 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.873 111.0 49.0 -64.2 -39.8 4.6 8.5 5.7 124 127 A I H X S+ 0 0 0 -4,-2.2 4,-3.0 2,-0.2 -2,-0.2 0.894 108.5 54.3 -70.1 -38.2 6.4 8.2 9.0 125 128 A Q H < S+ 0 0 66 -4,-2.6 -2,-0.2 2,-0.2 -1,-0.2 0.898 112.1 43.7 -59.1 -41.3 4.4 5.0 9.8 126 129 A A H < S+ 0 0 80 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.918 116.4 48.7 -69.6 -40.3 5.5 3.5 6.5 127 130 A K H < S+ 0 0 81 -4,-2.4 -2,-0.2 1,-0.3 -3,-0.2 0.894 126.5 24.0 -64.4 -44.6 9.1 4.7 7.0 128 131 A F >< + 0 0 47 -4,-3.0 3,-1.3 1,-0.1 -1,-0.3 -0.644 69.7 166.0-125.1 72.0 9.5 3.4 10.6 129 132 A P T 3 S+ 0 0 94 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.682 76.1 54.3 -67.1 -15.9 6.9 0.6 10.9 130 133 A V T 3 S+ 0 0 136 -3,-0.1 3,-0.1 2,-0.1 -5,-0.1 0.582 83.4 104.4 -95.6 -9.5 8.5 -0.7 14.1 131 134 A W S < S- 0 0 41 -3,-1.3 5,-0.1 -6,-0.1 -3,-0.1 -0.458 83.0-102.6 -64.6 144.2 8.2 2.7 16.0 132 135 A P >> - 0 0 63 0, 0.0 4,-1.9 0, 0.0 3,-1.0 -0.275 33.8-108.0 -60.4 153.1 5.5 2.9 18.6 133 136 A K H 3> S+ 0 0 120 1,-0.3 4,-2.3 2,-0.2 5,-0.2 0.850 119.4 58.2 -54.2 -39.8 2.4 4.8 17.5 134 137 A E H 3> S+ 0 0 46 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.827 108.5 46.7 -59.4 -33.4 3.4 7.8 19.9 135 138 A H H <> S+ 0 0 38 -3,-1.0 4,-2.4 2,-0.2 -1,-0.2 0.857 109.4 51.4 -79.8 -38.1 6.7 8.1 18.1 136 139 A Q H X S+ 0 0 16 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.855 110.0 52.2 -66.0 -37.9 5.3 8.0 14.6 137 140 A L H X S+ 0 0 10 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.955 111.1 45.7 -57.2 -52.2 2.9 10.7 15.7 138 141 A K H X S+ 0 0 13 -4,-1.8 4,-2.1 1,-0.2 -2,-0.2 0.899 113.1 51.2 -59.2 -41.9 5.8 12.9 17.0 139 142 A G H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.876 107.1 52.7 -64.6 -36.6 7.7 12.1 13.8 140 143 A G H X S+ 0 0 0 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.898 108.3 51.5 -68.1 -36.6 4.8 13.2 11.6 141 144 A I H X S+ 0 0 0 -4,-2.0 4,-0.9 2,-0.2 -2,-0.2 0.926 108.6 50.2 -65.7 -43.4 4.7 16.4 13.5 142 145 A S H >X S+ 0 0 0 -4,-2.1 4,-2.2 1,-0.2 3,-1.1 0.940 109.7 52.3 -57.6 -44.0 8.4 17.0 12.9 143 146 A A H 3X S+ 0 0 1 -4,-2.6 4,-2.6 1,-0.3 -1,-0.2 0.814 96.0 67.7 -64.9 -30.1 7.8 16.3 9.2 144 147 A Y H 3< S+ 0 0 28 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.866 112.5 32.9 -57.6 -34.1 5.0 18.9 9.1 145 148 A N H << S+ 0 0 44 -3,-1.1 -2,-0.2 -4,-0.9 -1,-0.2 0.900 139.2 12.7 -83.8 -46.7 7.7 21.5 9.6 146 149 A A H < S- 0 0 38 -4,-2.2 4,-0.3 1,-0.2 -3,-0.2 0.380 106.2 -98.1-123.5 3.2 10.7 20.1 7.8 147 150 A G < - 0 0 23 -4,-2.6 3,-0.3 -5,-0.3 4,-0.2 0.037 33.6 -90.4 95.7 153.8 9.6 17.2 5.6 148 151 A D S > S+ 0 0 34 1,-0.2 3,-1.4 2,-0.2 -1,-0.1 0.781 118.9 67.2 -74.3 -23.7 9.7 13.4 6.1 149 152 A K T 3 S+ 0 0 174 1,-0.3 -1,-0.2 -6,-0.1 -2,-0.1 0.883 96.8 57.1 -61.8 -32.9 13.1 13.0 4.6 150 153 A N T 3 S+ 0 0 31 -3,-0.3 2,-0.9 -4,-0.3 -1,-0.3 0.613 87.9 89.6 -70.4 -15.0 14.5 15.0 7.5 151 154 A V < + 0 0 0 -3,-1.4 3,-0.1 -4,-0.2 6,-0.1 -0.760 48.2 124.9 -93.8 106.8 13.0 12.4 10.0 152 155 A R + 0 0 150 -2,-0.9 5,-0.1 1,-0.5 -1,-0.1 0.316 59.0 36.7-120.9-101.2 15.5 9.7 10.7 153 156 A T S > S- 0 0 73 1,-0.2 3,-1.3 3,-0.1 -1,-0.5 -0.291 74.4-134.7 -59.2 132.3 16.7 8.8 14.1 154 157 A Y G > S+ 0 0 26 1,-0.2 3,-1.3 2,-0.2 4,-0.2 0.913 104.9 53.8 -48.3 -47.3 13.8 9.1 16.5 155 158 A E G 3 S+ 0 0 155 1,-0.3 -1,-0.2 2,-0.1 3,-0.1 0.585 115.5 37.8 -70.2 -12.7 16.0 10.9 19.0 156 159 A R G X S+ 0 0 152 -3,-1.3 3,-2.0 1,-0.1 -1,-0.3 0.162 74.6 120.6-122.2 17.1 17.2 13.5 16.5 157 160 A M T < S+ 0 0 3 -3,-1.3 -2,-0.1 -4,-0.3 -1,-0.1 0.731 75.4 53.9 -62.7 -21.7 14.0 14.1 14.5 158 161 A D T > S+ 0 0 7 -4,-0.2 3,-2.1 6,-0.2 8,-0.4 0.552 77.9 110.2 -87.5 -7.2 14.0 17.9 15.4 159 162 A V T < S+ 0 0 73 -3,-2.0 3,-0.1 1,-0.3 -3,-0.1 -0.531 88.0 20.3 -63.2 125.6 17.5 18.5 14.2 160 163 A G T 3 S+ 0 0 59 1,-0.4 -1,-0.3 -2,-0.3 2,-0.2 0.469 100.2 115.2 92.0 -2.4 17.0 20.6 11.0 161 164 A T S X S- 0 0 10 -3,-2.1 3,-2.4 1,-0.1 -1,-0.4 -0.617 84.8 -75.6 -89.5 161.5 13.5 21.8 12.0 162 165 A T G > S+ 0 0 89 1,-0.3 3,-1.2 -2,-0.2 4,-0.4 -0.317 123.5 6.1 -52.6 128.4 12.7 25.5 12.7 163 166 A G G 3 S- 0 0 18 1,-0.3 -147,-0.4 2,-0.1 -1,-0.3 0.395 110.7-100.0 79.2 -9.8 14.1 26.2 16.2 164 167 A G G < S+ 0 0 43 -3,-2.4 -1,-0.3 -6,-0.1 -6,-0.2 0.692 116.8 70.3 64.2 21.8 15.7 22.7 16.3 165 168 A D <> + 0 0 5 -3,-1.2 4,-3.0 -8,-0.1 5,-0.3 0.149 51.3 134.1-152.3 17.6 12.7 21.8 18.4 166 169 A Y H > S+ 0 0 1 -4,-0.4 4,-2.7 -8,-0.4 5,-0.2 0.897 80.4 32.5 -57.8 -56.7 9.6 21.7 16.4 167 170 A S H > S+ 0 0 0 2,-0.2 4,-2.8 1,-0.2 5,-0.3 0.877 119.0 53.8 -68.9 -36.9 7.9 18.4 17.4 168 171 A N H > S+ 0 0 21 2,-0.2 4,-2.4 1,-0.2 -157,-0.5 0.955 113.3 43.2 -58.7 -50.1 9.2 18.6 21.0 169 172 A D H X S+ 0 0 0 -4,-3.0 4,-2.7 -158,-0.4 5,-0.3 0.955 115.2 48.9 -58.4 -54.5 7.7 22.1 21.4 170 173 A V H X S+ 0 0 0 -4,-2.7 4,-2.9 -5,-0.3 -2,-0.2 0.931 112.5 47.8 -50.2 -49.6 4.5 21.2 19.7 171 174 A V H X S+ 0 0 1 -4,-2.8 4,-2.5 2,-0.2 -1,-0.2 0.931 112.2 48.8 -61.3 -47.4 4.0 18.0 21.8 172 175 A A H X S+ 0 0 0 -4,-2.4 4,-2.2 -5,-0.3 -1,-0.2 0.921 113.7 46.4 -61.5 -43.5 4.8 19.8 25.1 173 176 A R H X S+ 0 0 0 -4,-2.7 4,-3.0 2,-0.2 -1,-0.2 0.930 111.7 52.7 -61.2 -41.1 2.3 22.6 24.2 174 177 A S H X S+ 0 0 0 -4,-2.9 4,-2.4 -5,-0.3 -2,-0.2 0.906 107.4 50.9 -59.8 -42.6 -0.3 20.0 23.1 175 178 A Q H X S+ 0 0 36 -4,-2.5 4,-1.9 2,-0.2 -1,-0.2 0.920 109.7 50.9 -64.6 -42.6 0.1 18.3 26.5 176 179 A W H X S+ 0 0 30 -4,-2.2 4,-1.3 2,-0.2 -2,-0.2 0.942 109.6 49.6 -57.1 -50.7 -0.5 21.6 28.2 177 180 A F H <>S+ 0 0 0 -4,-3.0 5,-2.3 1,-0.2 -2,-0.2 0.865 106.8 55.9 -59.1 -35.7 -3.7 22.2 26.1 178 181 A K H ><5S+ 0 0 65 -4,-2.4 3,-1.6 4,-0.3 -1,-0.2 0.902 104.8 52.8 -61.5 -40.8 -4.9 18.7 27.1 179 182 A S H 3<5S+ 0 0 80 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.772 106.3 55.0 -65.4 -25.2 -4.5 19.7 30.7 180 183 A Q T 3<5S- 0 0 88 -4,-1.3 -1,-0.3 -3,-0.2 -2,-0.2 0.063 132.8 -88.7 -95.6 22.4 -6.6 22.8 29.9 181 184 A G T < 5 0 0 52 -3,-1.6 -3,-0.2 1,-0.0 -2,-0.1 0.588 360.0 360.0 87.7 14.6 -9.5 20.6 28.6 182 185 A Y < 0 0 31 -5,-2.3 -121,-0.3 -8,-0.1 -4,-0.3 0.749 360.0 360.0 -85.4 360.0 -8.6 20.2 24.8