==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 19-JUL-01 1EB6 . COMPND 2 MOLECULE: NEUTRAL PROTEASE II; . SOURCE 2 ORGANISM_SCIENTIFIC: ASPERGILLUS ORYZAE; . AUTHOR K.E.MCAULEY,Y.JIA-XING,E.J.DODSON,J.LEHMBECK,P.R.OSTERGAARD, . 177 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8195.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 124 70.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 5.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 7 4.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.6 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 . 5 2.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 20 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 76 42.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), 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 . 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 2 1 0 1 0 1 0 0 1 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 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 0 PARALLEL BRIDGES PER LADDER . 1 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 ANTIPARALLEL BRIDGES PER LADDER . 0 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 1 A T 0 0 0 0, 0.0 70,-1.9 0, 0.0 2,-0.8 0.000 360.0 360.0 360.0 161.4 19.4 8.2 58.1 2 2 A E E -Ab 70 75A 78 72,-1.9 74,-2.6 68,-0.3 2,-0.4 -0.897 360.0-150.3 -97.0 104.7 17.8 7.8 61.5 3 3 A V E + b 0 76A 20 66,-2.6 2,-0.3 -2,-0.8 74,-0.2 -0.612 30.7 153.4 -75.7 130.8 15.7 4.7 61.3 4 4 A T E + b 0 77A 54 72,-2.2 74,-2.5 -2,-0.4 75,-0.3 -0.949 39.3 43.7-148.1 167.9 12.6 4.9 63.6 5 5 A D S S+ 0 0 79 -2,-0.3 74,-1.0 72,-0.2 2,-0.4 0.960 75.7 152.3 60.2 52.2 9.1 3.5 63.9 6 6 A a + 0 0 28 72,-0.2 2,-0.3 -3,-0.1 -1,-0.2 -0.920 20.9 171.4-120.7 144.9 9.9 -0.1 63.1 7 7 A K > - 0 0 166 -2,-0.4 3,-0.6 0, 0.0 4,-0.4 -0.996 47.1 -10.5-148.1 143.9 8.5 -3.5 64.0 8 8 A G T >> S- 0 0 62 -2,-0.3 3,-1.4 1,-0.2 4,-0.5 -0.076 110.2 -33.7 75.2-166.7 9.0 -7.0 62.9 9 9 A D H >> S+ 0 0 126 1,-0.3 4,-2.1 2,-0.2 3,-0.6 0.719 124.1 79.9 -64.9 -20.5 11.0 -8.3 60.0 10 10 A A H <> S+ 0 0 23 -3,-0.6 4,-2.4 1,-0.3 -1,-0.3 0.841 85.0 61.0 -56.5 -32.7 9.9 -5.2 58.1 11 11 A E H <> S+ 0 0 87 -3,-1.4 4,-2.6 -4,-0.4 -1,-0.3 0.921 105.8 45.7 -58.3 -44.1 12.7 -3.5 60.0 12 12 A S H - 0 0 94 1,-0.1 4,-1.8 2,-0.0 -1,-0.2 -0.439 41.6-154.6 -73.6 126.7 28.8 4.8 29.3 37 37 A E H > S+ 0 0 103 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.867 92.8 53.6 -66.5 -40.1 27.6 8.0 27.9 38 38 A S H > S+ 0 0 73 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.887 108.6 49.3 -66.5 -39.2 24.7 6.5 25.9 39 39 A K H > S+ 0 0 43 2,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.903 111.6 49.5 -65.8 -41.1 23.3 4.7 28.9 40 40 A F H >X S+ 0 0 0 -4,-1.8 4,-2.7 1,-0.2 3,-0.9 0.939 110.0 51.8 -59.0 -47.2 23.5 8.0 30.9 41 41 A E H 3X S+ 0 0 93 -4,-2.6 4,-2.0 1,-0.3 -1,-0.2 0.820 97.8 65.8 -62.4 -32.4 21.7 9.8 28.0 42 42 A E H 3< S+ 0 0 54 -4,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.873 117.4 26.2 -55.7 -37.8 18.9 7.2 28.0 43 43 A Y H << S+ 0 0 1 -3,-0.9 -2,-0.2 -4,-0.9 -1,-0.2 0.777 132.7 33.4 -97.2 -33.3 17.9 8.4 31.4 44 44 A F H < S- 0 0 0 -4,-2.7 116,-0.2 2,-0.2 -3,-0.2 0.439 92.8-132.1-112.9 -2.8 19.1 12.0 31.6 45 45 A K S < S+ 0 0 79 -4,-2.0 2,-0.3 -5,-0.3 111,-0.3 0.631 77.1 64.1 71.9 18.3 18.6 13.0 28.0 46 46 A T - 0 0 32 -6,-0.2 -2,-0.2 -9,-0.1 -3,-0.1 -0.971 62.4-147.7-159.4 160.4 22.1 14.6 27.6 47 47 A T + 0 0 47 -2,-0.3 5,-0.1 -6,-0.1 -2,-0.1 0.287 52.7 138.2-109.8 4.8 25.7 13.6 27.6 48 48 A D > - 0 0 59 1,-0.1 4,-2.2 3,-0.1 3,-0.2 -0.198 55.8-133.6 -66.4 140.5 26.9 16.9 29.0 49 49 A Q H > S+ 0 0 115 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.844 101.8 56.4 -59.8 -41.8 29.5 16.8 31.7 50 50 A Q H > S+ 0 0 121 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.920 109.9 47.4 -60.5 -40.6 27.9 19.3 34.1 51 51 A T H > S+ 0 0 23 2,-0.2 4,-2.7 -3,-0.2 5,-0.2 0.928 110.8 51.2 -64.9 -43.5 24.8 17.1 34.2 52 52 A R H X S+ 0 0 19 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.908 110.1 50.2 -58.5 -42.9 26.8 14.0 34.7 53 53 A T H X S+ 0 0 45 -4,-2.6 4,-2.7 2,-0.2 -2,-0.2 0.921 111.0 47.8 -61.6 -45.3 28.6 15.6 37.6 54 54 A T H X S+ 0 0 25 -4,-2.3 4,-2.5 2,-0.2 5,-0.2 0.927 112.5 48.7 -63.9 -45.5 25.4 16.8 39.2 55 55 A V H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.935 113.4 47.9 -58.5 -46.5 23.8 13.3 38.9 56 56 A A H X S+ 0 0 2 -4,-2.5 4,-2.7 -5,-0.2 -2,-0.2 0.913 111.1 50.0 -62.8 -42.7 26.9 11.7 40.3 57 57 A E H X S+ 0 0 94 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.913 111.4 48.6 -62.0 -44.0 27.1 14.1 43.2 58 58 A R H X S+ 0 0 2 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.930 113.3 47.4 -61.5 -45.5 23.4 13.5 44.1 59 59 A L H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.879 110.0 51.8 -64.7 -40.6 23.9 9.8 43.9 60 60 A R H X S+ 0 0 79 -4,-2.7 4,-1.8 2,-0.2 -1,-0.2 0.892 111.1 48.8 -62.7 -38.5 27.1 9.9 46.1 61 61 A A H X S+ 0 0 23 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.911 109.7 51.2 -66.4 -43.3 25.1 11.9 48.7 62 62 A V H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 5,-0.2 0.920 108.2 53.3 -56.7 -46.2 22.2 9.4 48.6 63 63 A A H X S+ 0 0 4 -4,-2.4 4,-0.9 1,-0.2 -1,-0.2 0.906 109.5 47.4 -60.6 -41.2 24.7 6.6 49.2 64 64 A K H >< S+ 0 0 169 -4,-1.8 3,-0.5 1,-0.2 -1,-0.2 0.921 112.6 49.0 -65.1 -42.5 26.2 8.3 52.2 65 65 A E H >< S+ 0 0 11 -4,-2.4 3,-0.9 1,-0.2 -2,-0.2 0.878 110.9 49.9 -63.8 -38.3 22.7 9.0 53.7 66 66 A A H 3< S+ 0 0 2 -4,-2.5 -1,-0.2 1,-0.2 -44,-0.2 0.681 97.4 73.5 -72.5 -18.7 21.6 5.4 53.1 67 67 A G T << S+ 0 0 59 -4,-0.9 2,-0.3 -3,-0.5 -1,-0.2 0.330 90.9 58.7 -83.5 5.5 24.8 4.1 54.8 68 68 A S < - 0 0 37 -3,-0.9 0, 0.0 3,-0.1 0, 0.0 -0.961 52.8-166.8-129.4 155.7 23.8 5.0 58.4 69 69 A T S S+ 0 0 71 -2,-0.3 -66,-2.6 -67,-0.1 7,-0.1 0.422 92.5 32.0-117.9 -8.4 20.8 4.0 60.6 70 70 A S B S+A 2 0A 89 -68,-0.2 -68,-0.3 5,-0.0 2,-0.2 -0.134 119.8 40.2-133.6 39.0 21.1 6.5 63.5 71 71 A G + 0 0 25 -70,-1.9 3,-0.5 -6,-0.2 -3,-0.1 -0.806 60.6 77.5-160.4-157.4 22.6 9.4 61.6 72 72 A G S S- 0 0 58 -2,-0.2 -7,-0.1 1,-0.2 64,-0.1 -0.270 87.5 -59.4 67.5-168.4 22.7 11.6 58.6 73 73 A S S S+ 0 0 72 60,-0.1 2,-0.3 62,-0.1 -1,-0.2 0.418 108.0 62.3 -94.8 -6.5 20.4 14.4 57.6 74 74 A T - 0 0 4 -3,-0.5 -72,-1.9 -9,-0.1 2,-0.4 -0.806 64.6-138.5-122.6 165.3 17.1 12.5 57.3 75 75 A T E -bc 2 99A 47 23,-1.9 25,-2.8 -2,-0.3 2,-0.5 -0.980 18.0-160.9-118.8 134.8 14.7 10.4 59.4 76 76 A Y E -bc 3 100A 0 -74,-2.6 -72,-2.2 -2,-0.4 2,-0.5 -0.964 1.9-158.3-124.7 109.3 13.3 7.2 57.9 77 77 A H E -bc 4 101A 11 23,-3.1 25,-1.7 -2,-0.5 -72,-0.2 -0.767 12.3-148.7 -85.6 127.1 10.2 5.8 59.4 78 78 A a S S+ 0 0 0 -74,-2.5 2,-0.4 -2,-0.5 -72,-0.2 0.867 89.5 28.2 -58.5 -37.6 9.7 2.1 58.7 79 79 A N S S- 0 0 46 -74,-1.0 -1,-0.2 -75,-0.3 24,-0.2 -0.992 98.9 -97.3-128.1 143.6 5.9 2.8 58.8 80 80 A D - 0 0 38 22,-1.4 21,-0.1 -2,-0.4 24,-0.1 -0.288 34.7-172.9 -55.2 111.2 3.9 5.9 58.0 81 81 A P S S+ 0 0 56 0, 0.0 -1,-0.2 0, 0.0 -76,-0.0 0.552 77.3 42.2 -87.3 -8.4 3.3 7.6 61.4 82 82 A Y S S- 0 0 93 0, 0.0 -2,-0.1 0, 0.0 0, 0.0 0.594 104.1-110.9-112.9 -23.0 1.0 10.3 60.1 83 83 A G S S+ 0 0 58 3,-0.0 -3,-0.0 0, 0.0 0, 0.0 0.865 71.0 134.3 82.1 39.8 -1.4 8.7 57.6 84 84 A Y + 0 0 130 2,-0.1 2,-0.3 8,-0.0 19,-0.1 0.537 34.7 111.5 -96.3 -6.4 0.0 10.5 54.6 85 85 A b - 0 0 40 17,-0.1 3,-0.1 5,-0.1 7,-0.0 -0.512 51.0-162.0 -69.6 131.9 0.1 7.4 52.4 86 86 A E > - 0 0 139 -2,-0.3 3,-2.1 1,-0.1 -2,-0.1 -0.643 40.2 -65.1-104.5 165.8 -2.4 7.4 49.5 87 87 A P T 3 S+ 0 0 115 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.228 121.2 6.9 -53.7 136.6 -3.7 4.4 47.5 88 88 A N T 3 S+ 0 0 136 1,-0.2 2,-0.4 -3,-0.1 15,-0.0 0.412 93.7 132.8 71.8 3.1 -0.9 2.8 45.5 89 89 A V < - 0 0 43 -3,-2.1 16,-0.3 1,-0.1 -1,-0.2 -0.696 38.9-166.6 -88.1 130.0 1.9 4.9 47.0 90 90 A L - 0 0 8 -2,-0.4 13,-2.5 1,-0.3 16,-0.4 0.805 65.9 -22.3 -83.2 -34.9 4.9 2.9 48.1 91 91 A A E -D 102 0A 6 11,-0.3 2,-0.3 14,-0.1 -1,-0.3 -0.952 60.5-152.0-167.1 166.7 6.7 5.6 50.2 92 92 A Y E -D 101 0A 26 9,-2.4 9,-2.5 -2,-0.3 2,-0.4 -0.985 5.6-142.3-151.2 164.1 6.8 9.3 50.6 93 93 A T E -D 100 0A 18 -2,-0.3 7,-0.2 7,-0.2 3,-0.1 -0.973 8.0-150.6-128.2 141.9 9.1 12.2 51.7 94 94 A L E >>> -D 99 0A 37 5,-3.1 5,-1.5 -2,-0.4 3,-1.4 -0.913 19.7-166.8-103.9 93.2 8.4 15.4 53.5 95 95 A P G >45S+ 0 0 67 0, 0.0 3,-0.5 0, 0.0 40,-0.3 0.844 80.7 56.6 -61.9 -33.6 11.1 17.6 52.0 96 96 A S G 345S+ 0 0 117 1,-0.2 37,-0.0 -3,-0.1 -2,-0.0 0.708 118.4 35.1 -68.6 -18.6 10.9 20.5 54.5 97 97 A K G <45S- 0 0 113 -3,-1.4 -1,-0.2 2,-0.2 -22,-0.1 0.390 101.0-128.7-108.7 -7.1 11.5 18.0 57.3 98 98 A N T <<5 + 0 0 35 -4,-0.9 -23,-1.9 -3,-0.5 2,-0.4 0.912 61.8 144.3 50.3 47.9 13.9 15.6 55.5 99 99 A E E < -cD 75 94A 14 -5,-1.5 -5,-3.1 -25,-0.2 2,-0.3 -0.955 30.2-172.8-120.9 135.2 11.6 12.8 56.7 100 100 A I E -cD 76 93A 0 -25,-2.8 -23,-3.1 -2,-0.4 2,-0.3 -0.927 2.4-177.4-125.1 147.1 10.8 9.7 54.7 101 101 A A E -cD 77 92A 0 -9,-2.5 -9,-2.4 -2,-0.3 2,-0.3 -0.997 19.9-133.0-143.8 146.3 8.3 6.9 55.4 102 102 A N E - D 0 91A 0 -25,-1.7 -22,-1.4 -2,-0.3 -11,-0.3 -0.733 19.9-134.7 -89.6 145.0 7.3 3.6 53.8 103 103 A b >> - 0 0 5 -13,-2.5 3,-1.8 -2,-0.3 4,-0.5 -0.548 31.6-103.8 -88.0 161.9 3.7 2.7 53.2 104 104 A D H >> S+ 0 0 121 1,-0.3 3,-1.8 -2,-0.2 4,-1.0 0.875 118.5 63.4 -59.1 -36.2 2.6 -0.8 54.1 105 105 A I H 3> S+ 0 0 37 -16,-0.3 4,-2.6 1,-0.3 5,-0.4 0.701 85.8 74.1 -66.8 -17.1 2.5 -1.9 50.4 106 106 A Y H <> S+ 0 0 0 -3,-1.8 4,-0.6 -16,-0.4 -1,-0.3 0.872 104.6 39.9 -51.5 -40.2 6.3 -1.3 50.3 107 107 A Y H << S+ 0 0 49 -3,-1.8 -2,-0.2 -4,-0.5 -1,-0.2 0.771 123.5 36.2 -84.3 -31.2 6.5 -4.5 52.3 108 108 A S H < S+ 0 0 91 -4,-1.0 -2,-0.2 1,-0.1 -3,-0.2 0.727 122.9 36.8 -93.4 -25.8 3.8 -6.6 50.6 109 109 A E H < S+ 0 0 119 -4,-2.6 -3,-0.2 -5,-0.2 -2,-0.1 0.510 103.1 69.6-111.4 -7.2 4.1 -5.6 46.9 110 110 A L < - 0 0 18 -4,-0.6 11,-0.2 -5,-0.4 -1,-0.0 -0.931 66.4-137.3-116.7 138.7 7.9 -5.1 46.3 111 111 A P - 0 0 58 0, 0.0 11,-2.5 0, 0.0 12,-0.3 -0.443 30.6-114.7 -74.2 162.8 10.8 -7.6 46.2 112 112 A P S S+ 0 0 72 0, 0.0 11,-1.7 0, 0.0 2,-0.4 0.928 103.0 11.8 -59.6 -43.6 14.0 -6.6 47.9 113 113 A L S S- 0 0 70 9,-0.1 2,-0.2 8,-0.1 7,-0.1 -0.969 81.7-131.4-142.3 116.3 15.8 -6.5 44.6 114 114 A A - 0 0 10 -2,-0.4 4,-0.1 5,-0.2 7,-0.1 -0.473 9.8-164.3 -70.9 138.6 14.2 -6.6 41.2 115 115 A Q + 0 0 157 -2,-0.2 2,-0.3 2,-0.1 -1,-0.1 0.642 69.0 75.3 -92.4 -17.5 15.6 -9.0 38.7 116 116 A K S > S- 0 0 165 4,-0.1 3,-1.7 1,-0.1 -2,-0.1 -0.743 93.7 -93.9-101.4 145.7 13.8 -7.4 35.7 117 117 A c T 3 S- 0 0 56 -2,-0.3 3,-0.1 1,-0.3 -1,-0.1 -0.273 104.4 -0.4 -55.6 132.5 14.8 -4.2 34.0 118 118 A H T 3 S+ 0 0 61 1,-0.2 -1,-0.3 50,-0.2 30,-0.2 0.357 94.4 139.9 73.1 -1.3 12.9 -1.2 35.2 119 119 A A < - 0 0 39 -3,-1.7 -5,-0.2 1,-0.1 -1,-0.2 -0.418 54.3-109.4 -78.0 149.5 10.9 -3.1 37.8 120 120 A Q + 0 0 78 -2,-0.1 2,-0.3 -3,-0.1 -4,-0.1 -0.388 42.0 165.0 -78.0 151.9 10.3 -1.6 41.2 121 121 A D > - 0 0 4 -11,-0.2 4,-1.9 -2,-0.1 5,-0.2 -0.956 48.8 -99.5-157.4 172.0 11.9 -2.9 44.4 122 122 A Q H > S+ 0 0 7 -11,-2.5 4,-2.3 -2,-0.3 5,-0.2 0.914 116.5 51.9 -65.6 -44.3 12.5 -1.9 48.0 123 123 A A H > S+ 0 0 0 -11,-1.7 4,-2.2 -12,-0.3 -1,-0.2 0.920 114.7 40.7 -60.8 -47.0 16.1 -0.8 47.5 124 124 A T H > S+ 0 0 7 2,-0.2 4,-2.7 -12,-0.2 -1,-0.2 0.782 111.3 55.8 -79.4 -24.8 15.4 1.6 44.6 125 125 A T H X S+ 0 0 6 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.929 110.6 47.0 -66.9 -42.7 12.2 2.9 46.1 126 126 A T H X S+ 0 0 0 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.936 112.2 49.7 -59.2 -45.8 14.3 3.8 49.1 127 127 A L H X S+ 0 0 0 -4,-2.2 4,-1.5 1,-0.2 -2,-0.2 0.947 109.3 52.8 -56.4 -50.0 16.9 5.4 46.8 128 128 A H H >X S+ 0 0 6 -4,-2.7 4,-0.7 1,-0.2 3,-0.5 0.923 108.4 50.0 -48.8 -54.4 14.1 7.3 45.0 129 129 A E H >< S+ 0 0 10 -4,-2.4 3,-1.5 1,-0.2 4,-0.5 0.911 103.5 58.1 -61.7 -40.0 12.9 8.8 48.3 130 130 A F H >< S+ 0 0 0 -4,-2.1 3,-1.5 1,-0.3 6,-0.3 0.866 99.0 60.4 -58.7 -34.6 16.4 10.0 49.4 131 131 A T H << S+ 0 0 2 -4,-1.5 10,-2.4 -3,-0.5 -1,-0.3 0.761 97.4 60.3 -64.1 -24.2 16.6 12.1 46.3 132 132 A H T << S+ 0 0 15 -3,-1.5 -1,-0.3 -4,-0.7 -2,-0.2 0.629 85.3 91.3 -72.0 -17.1 13.5 14.0 47.4 133 133 A A X> - 0 0 0 -3,-1.5 3,-1.8 -4,-0.5 4,-1.5 -0.738 61.0-161.8 -88.3 110.2 15.3 15.1 50.6 134 134 A P T 34 S+ 0 0 47 0, 0.0 -1,-0.2 0, 0.0 -38,-0.1 0.763 89.2 66.7 -62.9 -23.0 17.0 18.5 50.1 135 135 A G T 34 S+ 0 0 36 -40,-0.3 3,-0.2 1,-0.2 -61,-0.1 0.720 102.2 48.2 -67.6 -23.1 19.1 17.8 53.2 136 136 A V T <4 S- 0 0 19 -3,-1.8 2,-0.3 1,-0.3 -1,-0.2 0.912 139.9 -19.7 -76.3 -51.8 20.8 15.0 51.2 137 137 A Y S < S- 0 0 51 -4,-1.5 -1,-0.3 -7,-0.2 -2,-0.1 -0.912 86.6 -94.1-159.0 129.3 21.4 17.1 48.1 138 138 A Q S S+ 0 0 143 -2,-0.3 2,-0.1 -3,-0.2 -6,-0.0 -0.795 98.7 38.1-100.0 140.7 19.7 20.4 47.1 139 139 A P S S- 0 0 58 0, 0.0 -6,-0.1 0, 0.0 2,-0.1 0.517 86.5-132.4 -78.0 157.2 17.4 20.8 45.4 140 140 A G - 0 0 17 -8,-0.2 -8,-0.3 -2,-0.1 -7,-0.1 -0.450 30.7-110.0 -59.7 145.3 15.2 17.9 46.3 141 141 A T - 0 0 9 -10,-2.4 21,-0.2 -13,-0.1 2,-0.2 -0.315 28.7-136.4 -73.3 163.3 13.9 16.1 43.3 142 142 A E B -e 162 0B 117 19,-3.2 21,-2.4 16,-0.2 2,-0.9 -0.608 22.6-105.4-110.2 171.8 10.2 16.2 42.3 143 143 A D + 0 0 104 -2,-0.2 3,-0.1 19,-0.2 19,-0.1 -0.802 60.5 142.2-101.0 88.7 7.8 13.5 41.0 144 144 A L + 0 0 62 -2,-0.9 2,-0.3 1,-0.3 -1,-0.2 0.676 69.8 9.7-103.5 -26.5 7.7 14.4 37.3 145 145 A G - 0 0 9 -3,-0.2 2,-0.5 13,-0.1 -1,-0.3 -0.830 64.5-156.7-160.5 121.7 7.6 10.9 35.7 146 146 A Y + 0 0 120 -2,-0.3 4,-0.5 -3,-0.1 3,-0.1 -0.861 61.2 8.7-105.3 130.4 7.1 7.6 37.3 147 147 A G S > S- 0 0 27 -2,-0.5 4,-2.7 1,-0.1 5,-0.3 -0.009 100.5 -62.7 84.4 163.6 8.3 4.4 35.6 148 148 A Y H > S+ 0 0 65 -30,-0.2 4,-2.7 1,-0.2 5,-0.2 0.885 127.9 43.3 -55.3 -52.4 10.4 4.0 32.5 149 149 A D H > S+ 0 0 109 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.949 119.0 41.8 -64.8 -47.4 8.2 5.5 29.9 150 150 A A H 4 S+ 0 0 49 -4,-0.5 4,-0.3 1,-0.2 -1,-0.2 0.909 119.4 44.8 -67.4 -40.7 7.1 8.6 31.8 151 151 A A H >< S+ 0 0 0 -4,-2.7 3,-1.1 1,-0.2 -2,-0.2 0.924 114.8 45.5 -68.8 -45.0 10.6 9.2 33.3 152 152 A T H 3< S+ 0 0 16 -4,-2.7 -1,-0.2 -5,-0.3 -2,-0.2 0.676 106.9 59.5 -78.7 -12.7 12.6 8.7 30.1 153 153 A Q T 3< S+ 0 0 154 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.465 85.6 103.8 -91.7 -0.3 10.2 10.8 28.0 154 154 A L S < S- 0 0 22 -3,-1.1 -9,-0.0 -4,-0.3 -3,-0.0 -0.336 81.8-102.6 -66.0 158.1 10.9 13.8 30.3 155 155 A S > - 0 0 64 1,-0.1 4,-2.9 -2,-0.0 5,-0.2 -0.293 39.5 -96.5 -69.0 168.0 13.2 16.5 29.1 156 156 A A H > S+ 0 0 36 -111,-0.3 4,-2.5 1,-0.2 5,-0.2 0.919 123.3 45.9 -54.9 -50.4 16.8 16.7 30.3 157 157 A Q H > S+ 0 0 143 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.893 114.1 48.2 -70.2 -33.9 16.1 19.3 33.0 158 158 A D H 4 S+ 0 0 73 2,-0.2 3,-0.4 1,-0.2 -16,-0.2 0.939 111.5 50.4 -68.3 -42.6 13.0 17.5 34.3 159 159 A A H >< S+ 0 0 0 -4,-2.9 3,-1.9 1,-0.2 6,-0.2 0.918 106.5 55.2 -58.6 -44.9 14.8 14.1 34.3 160 160 A L H 3< S+ 0 0 29 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.841 115.2 40.4 -53.7 -34.7 17.7 15.7 36.3 161 161 A N T 3< S+ 0 0 33 -4,-1.1 -19,-3.2 -3,-0.4 2,-0.5 0.083 95.0 101.3-104.1 24.1 15.0 16.8 38.9 162 162 A N B X> -e 142 0B 0 -3,-1.9 3,-1.1 -21,-0.2 4,-0.8 -0.932 59.8-151.8-118.4 118.6 12.9 13.5 38.8 163 163 A A H >> S+ 0 0 0 -21,-2.4 4,-1.3 -2,-0.5 3,-1.1 0.893 94.0 54.0 -55.9 -45.0 13.3 11.0 41.6 164 164 A D H 3> S+ 0 0 9 -22,-0.3 4,-2.8 1,-0.3 -1,-0.3 0.758 95.4 68.0 -69.1 -22.8 12.4 7.9 39.6 165 165 A S H <> S+ 0 0 1 -3,-1.1 4,-2.3 -6,-0.2 -1,-0.3 0.861 101.9 48.4 -58.9 -36.6 15.0 8.7 37.0 166 166 A Y H S+ 0 0 2 -4,-2.5 5,-2.0 1,-0.2 4,-0.9 0.888 110.3 49.3 -64.0 -40.6 19.7 -0.3 34.7 173 173 A I H <5S+ 0 0 36 -4,-2.5 3,-0.4 3,-0.2 -1,-0.2 0.936 114.3 45.0 -63.5 -47.7 23.4 -0.1 35.8 174 174 A E H <5S+ 0 0 96 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.913 118.5 41.5 -63.4 -42.5 23.1 -3.0 38.2 175 175 A L H <5S- 0 0 50 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.487 105.0-125.4 -86.1 -5.2 21.2 -5.3 35.8 176 176 A K T <5 0 0 188 -4,-0.9 -3,-0.2 -3,-0.4 -4,-0.1 0.918 360.0 360.0 58.2 49.7 23.3 -4.3 32.8 177 177 A c < 0 0 40 -5,-2.0 -1,-0.2 -6,-0.2 -2,-0.0 -0.588 360.0 360.0-134.0 360.0 20.2 -3.3 30.9