==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SIGNALING PROTEIN 27-JUN-07 2QF8 . COMPND 2 MOLECULE: CHITINASE-3-LIKE PROTEIN 1; . SOURCE 2 ORGANISM_SCIENTIFIC: BUBALUS BUBALIS; . AUTHOR A.K.SINGH,R.JAIN,M.SINHA,A.KUMAR,N.SINGH,S.SHARMA,P.KAUR,T.P . 361 1 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15562.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 256 70.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 46 12.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 30 8.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 2 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 . 26 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 44 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 93 25.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 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 1 1 0 2 0 2 2 0 0 1 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 2 4 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 PARALLEL BRIDGES PER LADDER . 1 1 2 2 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 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 0 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 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 Y 0 0 139 0, 0.0 2,-0.3 0, 0.0 325,-0.2 0.000 360.0 360.0 360.0 123.7 -16.1 -15.1 -3.7 2 2 A K E -a 326 0A 70 323,-2.3 325,-1.9 29,-0.1 2,-0.4 -0.631 360.0-168.8 -81.8 143.9 -15.9 -11.6 -2.4 3 3 A L E -a 327 0A 7 -2,-0.3 28,-2.2 323,-0.2 29,-1.5 -0.781 8.8-172.2-132.5 87.2 -15.2 -10.7 1.2 4 4 A I E -ab 328 32A 0 323,-2.0 325,-2.5 -2,-0.4 2,-0.4 -0.731 4.9-173.0 -86.2 122.7 -15.8 -7.0 2.0 5 5 A a E -ab 329 33A 0 27,-2.5 29,-3.0 -2,-0.5 2,-0.3 -0.945 12.8-145.0-121.3 132.5 -14.8 -5.9 5.4 6 6 A Y E - b 0 34A 4 323,-1.9 326,-2.6 -2,-0.4 325,-0.5 -0.722 7.9-164.0 -95.7 137.5 -15.4 -2.4 7.0 7 7 A Y E - b 0 35A 0 27,-2.3 29,-2.3 -2,-0.3 2,-0.4 -0.994 16.7-139.6-117.4 128.2 -12.9 -0.8 9.2 8 8 A T E > - b 0 36A 1 -2,-0.4 3,-1.0 27,-0.2 29,-0.2 -0.792 3.8-143.8 -95.4 136.0 -14.2 2.1 11.3 9 9 A S G > S+ 0 0 0 27,-2.5 3,-1.9 -2,-0.4 4,-0.2 0.950 96.2 57.1 -51.4 -61.0 -12.2 5.4 12.0 10 10 A W G >> S+ 0 0 94 1,-0.3 3,-0.9 26,-0.1 4,-0.6 0.506 83.0 88.0 -59.0 -2.5 -13.3 6.0 15.5 11 11 A S G <4 S+ 0 0 0 -3,-1.0 9,-1.5 1,-0.2 -1,-0.3 0.663 71.5 73.0 -74.7 -9.6 -12.1 2.7 16.6 12 12 A Q G <4 S+ 0 0 14 -3,-1.9 -1,-0.2 7,-0.2 -2,-0.1 0.816 92.7 56.9 -69.4 -26.6 -8.6 4.1 17.3 13 13 A Y T <4 S+ 0 0 109 -3,-0.9 -1,-0.2 -4,-0.2 -2,-0.2 0.796 74.3 109.5 -76.1 -32.6 -9.9 5.8 20.4 14 14 A R S < S- 0 0 28 -4,-0.6 5,-0.2 4,-0.2 252,-0.1 -0.131 73.6-116.6 -43.3 136.0 -11.2 2.8 22.2 15 15 A E > - 0 0 115 250,-0.4 3,-1.9 3,-0.2 4,-0.1 -0.319 64.3 -7.8 -81.1 168.5 -8.8 2.2 25.1 16 16 A G G > S- 0 0 58 1,-0.3 3,-1.4 2,-0.2 249,-0.0 -0.284 134.1 -10.7 57.6-139.0 -6.5 -0.5 26.1 17 17 A D G 3 S+ 0 0 82 1,-0.3 -1,-0.3 3,-0.0 321,-0.1 0.653 124.7 79.2 -66.0 -15.8 -6.8 -3.6 23.8 18 18 A G G < + 0 0 0 -3,-1.9 -1,-0.3 -5,-0.1 -4,-0.2 0.863 69.8 107.8 -62.1 -33.2 -9.9 -2.0 22.3 19 19 A S < - 0 0 30 -3,-1.4 2,-0.4 -5,-0.2 -7,-0.2 -0.199 51.1-174.1 -52.7 127.1 -7.6 0.2 20.3 20 20 A C + 0 0 4 -9,-1.5 -6,-0.1 -11,-0.1 313,-0.1 -0.986 10.8 174.2-132.7 132.3 -7.6 -0.8 16.6 21 21 A F > - 0 0 82 -2,-0.4 3,-2.4 -9,-0.1 4,-0.4 -0.919 51.6-101.2-131.1 154.7 -5.5 0.5 13.7 22 22 A P G > S+ 0 0 0 0, 0.0 3,-1.1 0, 0.0 40,-0.0 0.690 117.0 78.2 -49.7 -22.0 -5.2 -0.7 10.1 23 23 A D G 3 S+ 0 0 133 1,-0.2 -3,-0.0 3,-0.0 0, 0.0 0.880 84.7 55.9 -43.5 -52.4 -2.1 -2.3 11.4 24 24 A A G < S+ 0 0 36 -3,-2.4 2,-0.3 2,-0.1 -1,-0.2 0.586 83.5 109.5 -66.1 -15.2 -4.1 -5.1 13.0 25 25 A I < - 0 0 5 -3,-1.1 -18,-0.0 -4,-0.4 308,-0.0 -0.526 68.4-134.5 -74.5 124.4 -5.7 -6.1 9.8 26 26 A D >> - 0 0 62 -2,-0.3 3,-1.9 1,-0.1 4,-0.6 -0.736 14.1-144.8 -77.8 116.2 -4.5 -9.3 8.3 27 27 A P T 34 S+ 0 0 4 0, 0.0 -1,-0.1 0, 0.0 42,-0.0 0.550 93.9 46.4 -59.4 -22.2 -4.0 -8.6 4.5 28 28 A F T 34 S+ 0 0 101 1,-0.1 -2,-0.0 41,-0.0 -3,-0.0 0.466 92.1 84.6 -99.0 -5.1 -5.1 -12.0 3.2 29 29 A L T <4 S+ 0 0 3 -3,-1.9 2,-0.1 2,-0.0 -1,-0.1 0.993 94.7 25.5 -60.1 -60.1 -8.2 -12.1 5.3 30 30 A a < - 0 0 7 -4,-0.6 -26,-0.2 1,-0.1 3,-0.1 -0.343 60.1-141.2-104.4 174.6 -10.6 -10.1 3.0 31 31 A T S S+ 0 0 46 -28,-2.2 39,-2.0 1,-0.4 2,-0.4 0.721 93.8 20.6 -99.1 -31.9 -10.8 -9.3 -0.6 32 32 A H E -bc 4 70A 22 -29,-1.5 -27,-2.5 37,-0.2 2,-0.5 -0.995 65.4-162.7-133.6 139.6 -11.9 -5.7 -0.1 33 33 A V E -bc 5 71A 4 37,-1.7 39,-1.9 -2,-0.4 2,-0.5 -0.991 12.1-154.9-123.2 130.5 -11.4 -3.5 3.0 34 34 A I E -bc 6 72A 0 -29,-3.0 -27,-2.3 -2,-0.5 2,-0.4 -0.935 7.5-141.5-111.0 118.8 -13.6 -0.4 3.2 35 35 A Y E -bc 7 73A 0 37,-2.8 39,-2.8 -2,-0.5 2,-0.4 -0.626 29.4-124.6 -76.1 126.9 -12.5 2.7 5.3 36 36 A S E +bc 8 74A 0 -29,-2.3 -27,-2.5 -2,-0.4 -26,-0.1 -0.978 64.2 6.7-118.1 128.7 -15.5 4.2 7.1 37 37 A F E - 0 0 15 37,-0.6 38,-0.2 -2,-0.4 -1,-0.2 0.767 44.6-177.5-131.9 156.0 -16.3 7.2 6.8 38 38 A A E - c 0 75A 0 36,-3.1 38,-0.9 -3,-0.2 2,-0.2 -0.494 27.8-133.9 -84.0 163.2 -15.3 10.2 4.6 39 39 A N E -I 46 0B 38 7,-2.5 7,-2.5 -2,-0.2 2,-0.4 -0.692 9.1-129.0-112.1 163.6 -16.9 13.6 5.2 40 40 A I E +I 45 0B 4 5,-0.2 2,-0.4 -2,-0.2 5,-0.2 -0.984 32.1 171.4-113.9 127.4 -18.3 16.1 2.5 41 41 A S E > +I 44 0B 48 3,-3.9 3,-1.7 -2,-0.4 -2,-0.0 -0.976 64.8 0.2-141.1 135.6 -17.1 19.7 2.7 42 42 A N T 3 S- 0 0 139 -2,-0.4 -1,-0.2 1,-0.3 3,-0.1 0.958 130.6 -61.8 55.2 47.4 -17.4 22.6 0.3 43 43 A N T 3 S+ 0 0 62 -3,-0.2 2,-0.3 1,-0.2 -1,-0.3 0.558 119.7 111.5 54.5 11.8 -19.4 20.1 -1.8 44 44 A E E < S-I 41 0B 100 -3,-1.7 -3,-3.9 56,-0.1 -1,-0.2 -0.841 77.9-103.4-115.9 150.6 -16.1 18.0 -2.0 45 45 A I E +I 40 0B 6 53,-0.4 2,-0.3 -2,-0.3 -5,-0.2 -0.460 54.9 164.8 -64.3 144.4 -15.2 14.6 -0.5 46 46 A D E -I 39 0B 67 -7,-2.5 -7,-2.5 -2,-0.1 -4,-0.0 -0.941 37.4 -80.6-156.1 172.5 -12.8 15.2 2.4 47 47 A T - 0 0 36 -2,-0.3 -9,-0.1 -9,-0.2 3,-0.1 -0.070 26.6-157.0 -71.2 174.5 -11.3 13.5 5.5 48 48 A W S S+ 0 0 100 1,-0.2 -1,-0.1 -10,-0.1 -10,-0.1 0.652 70.1 41.2-115.0 -65.8 -13.2 13.1 8.8 49 49 A E S > S- 0 0 30 1,-0.1 3,-0.8 2,-0.0 4,-0.3 -0.274 86.6-110.3 -78.9 168.9 -10.7 12.7 11.6 50 50 A W T 3 S+ 0 0 204 1,-0.2 3,-0.5 2,-0.1 4,-0.1 0.949 115.3 39.8 -63.9 -49.5 -7.5 14.7 12.0 51 51 A N T >> S+ 0 0 21 1,-0.2 4,-1.9 2,-0.1 3,-0.7 0.156 76.7 115.6 -92.5 22.1 -5.1 11.8 11.3 52 52 A D H <> S+ 0 0 0 -3,-0.8 4,-3.1 1,-0.2 5,-0.4 0.931 71.4 61.0 -55.4 -46.0 -7.1 10.2 8.5 53 53 A V H 3> S+ 0 0 76 -3,-0.5 4,-1.3 -4,-0.3 -1,-0.2 0.876 107.6 46.4 -51.1 -35.9 -4.4 10.9 6.0 54 54 A T H <> S+ 0 0 84 -3,-0.7 4,-2.3 2,-0.2 -1,-0.3 0.923 114.1 45.5 -69.5 -46.3 -2.1 8.8 8.1 55 55 A L H X S+ 0 0 3 -4,-1.9 4,-2.6 2,-0.2 5,-0.3 0.892 109.4 54.4 -65.7 -40.5 -4.6 5.9 8.6 56 56 A Y H X S+ 0 0 1 -4,-3.1 4,-2.4 1,-0.2 -1,-0.2 0.901 111.1 49.0 -56.3 -41.3 -5.5 5.9 4.9 57 57 A D H X S+ 0 0 108 -4,-1.3 4,-0.6 -5,-0.4 -2,-0.2 0.914 110.2 49.0 -64.8 -47.0 -1.8 5.5 4.3 58 58 A T H >< S+ 0 0 32 -4,-2.3 3,-0.6 1,-0.2 4,-0.5 0.887 113.3 47.4 -58.9 -44.0 -1.4 2.7 6.9 59 59 A L H >< S+ 0 0 0 -4,-2.6 3,-0.9 1,-0.2 4,-0.4 0.848 108.3 53.9 -69.3 -40.3 -4.4 0.8 5.4 60 60 A N H 3< S+ 0 0 22 -4,-2.4 3,-0.3 -5,-0.3 -1,-0.2 0.562 95.8 68.1 -78.5 -6.4 -3.2 1.1 1.8 61 61 A T T XX S+ 0 0 58 -3,-0.6 3,-3.5 -4,-0.6 4,-0.7 0.723 80.0 77.7 -78.0 -23.6 0.2 -0.3 2.7 62 62 A L H X> S+ 0 0 13 -3,-0.9 4,-1.4 -4,-0.5 3,-1.3 0.873 82.3 69.2 -50.8 -30.1 -1.5 -3.7 3.3 63 63 A K H 34 S+ 0 0 43 -4,-0.4 -1,-0.3 -3,-0.3 -2,-0.2 0.698 85.0 68.1 -64.5 -17.8 -1.5 -3.8 -0.5 64 64 A N H <4 S+ 0 0 142 -3,-3.5 -1,-0.3 1,-0.2 -2,-0.2 0.875 106.8 38.6 -65.4 -36.7 2.3 -4.1 -0.3 65 65 A R H << S+ 0 0 172 -3,-1.3 -2,-0.2 -4,-0.7 -1,-0.2 0.767 129.7 31.6 -82.3 -22.1 1.9 -7.5 1.2 66 66 A N >< - 0 0 20 -4,-1.4 3,-1.2 -5,-0.2 -1,-0.3 -0.820 60.6-177.2-143.3 94.0 -1.1 -8.4 -1.0 67 67 A P T 3 S+ 0 0 105 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.766 84.4 59.2 -66.9 -31.4 -1.2 -6.9 -4.5 68 68 A N T 3 S+ 0 0 146 2,-0.0 2,-0.4 -5,-0.0 -5,-0.1 0.652 82.4 105.7 -73.2 -14.0 -4.6 -8.4 -5.3 69 69 A L < - 0 0 4 -3,-1.2 2,-0.3 -6,-0.1 -37,-0.2 -0.507 54.8-158.9 -70.0 126.9 -6.4 -6.6 -2.3 70 70 A K E -c 32 0A 48 -39,-2.0 -37,-1.7 -2,-0.4 2,-0.3 -0.787 2.9-159.8-105.5 147.5 -8.6 -3.6 -3.1 71 71 A T E -c 33 0A 0 -2,-0.3 41,-2.4 -39,-0.2 42,-0.6 -0.913 4.5-167.8-124.3 153.1 -9.6 -0.8 -0.7 72 72 A L E -cd 34 113A 0 -39,-1.9 -37,-2.8 -2,-0.3 2,-0.4 -0.948 17.6-134.6-136.3 154.1 -12.5 1.7 -0.8 73 73 A L E -cd 35 114A 0 40,-1.9 42,-2.3 -2,-0.3 2,-0.4 -0.940 22.2-143.2-107.5 134.9 -13.4 4.8 1.1 74 74 A S E -cd 36 115A 0 -39,-2.8 -36,-3.1 -2,-0.4 -37,-0.6 -0.856 8.8-159.1-100.2 130.1 -17.1 5.1 2.3 75 75 A V E +cd 38 116A 0 40,-2.3 42,-2.6 -2,-0.4 2,-0.5 -0.885 63.1 23.2 -99.6 139.2 -19.0 8.5 2.3 76 76 A G E + d 0 117A 1 -38,-0.9 42,-0.2 -2,-0.4 2,-0.1 -0.936 59.2 171.1 114.9-130.5 -22.0 8.9 4.5 77 77 A G > - 0 0 2 40,-2.4 3,-0.8 -2,-0.5 42,-0.4 -0.231 54.9 -76.7 100.6 166.1 -22.6 6.8 7.6 78 78 A W T 3 S+ 0 0 99 1,-0.2 4,-0.1 -2,-0.1 -1,-0.1 0.928 126.5 58.9 -70.5 -40.6 -25.3 7.3 10.3 79 79 A N T 3 S+ 0 0 145 -3,-0.1 2,-0.4 2,-0.1 -1,-0.2 0.177 95.5 84.5 -78.2 23.2 -23.6 10.2 12.1 80 80 A Y S < S- 0 0 8 -3,-0.8 39,-0.2 39,-0.1 -3,-0.1 -0.984 93.9-106.2-124.3 127.7 -23.9 12.0 8.8 81 81 A G > - 0 0 24 -2,-0.4 4,-1.5 1,-0.2 5,-0.1 -0.352 12.8-153.6 -59.7 132.6 -27.1 13.7 8.0 82 82 A S H > S+ 0 0 22 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.858 102.6 58.5 -62.0 -34.6 -29.3 12.1 5.3 83 83 A Q H > S+ 0 0 147 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.888 99.1 54.2 -59.4 -45.9 -30.4 15.6 4.8 84 84 A R H > S+ 0 0 97 2,-0.2 4,-1.5 1,-0.2 3,-0.3 0.928 111.2 45.6 -59.1 -50.1 -26.9 16.8 4.0 85 85 A F H X S+ 0 0 1 -4,-1.5 4,-2.2 1,-0.2 3,-0.4 0.948 109.4 55.6 -56.6 -48.3 -26.6 14.1 1.3 86 86 A S H X S+ 0 0 28 -4,-2.7 4,-1.3 1,-0.2 -1,-0.2 0.851 106.4 51.9 -53.3 -36.5 -30.1 14.9 -0.0 87 87 A K H X S+ 0 0 137 -4,-2.0 4,-0.7 -3,-0.3 -1,-0.2 0.864 109.8 47.1 -69.4 -39.4 -29.0 18.6 -0.5 88 88 A I H < S+ 0 0 17 -4,-1.5 -2,-0.2 -3,-0.4 -1,-0.2 0.809 113.2 50.2 -75.2 -28.2 -25.9 17.8 -2.5 89 89 A A H < S+ 0 0 0 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.775 103.6 53.2 -86.1 -25.0 -27.7 15.4 -4.7 90 90 A S H < S+ 0 0 45 -4,-1.3 2,-0.7 -5,-0.2 -1,-0.2 0.706 97.4 68.9 -81.8 -21.7 -30.8 17.4 -5.9 91 91 A K S >X S- 0 0 112 -4,-0.7 4,-2.1 1,-0.1 3,-1.7 -0.878 72.2-150.7-103.2 111.7 -28.9 20.5 -7.2 92 92 A T H 3> S+ 0 0 74 -2,-0.7 4,-1.9 1,-0.3 5,-0.2 0.803 93.9 57.0 -52.2 -36.2 -26.9 19.7 -10.3 93 93 A Q H 3> S+ 0 0 123 1,-0.2 4,-0.8 2,-0.2 -1,-0.3 0.832 113.5 41.1 -67.5 -24.3 -24.3 22.3 -9.6 94 94 A S H <> S+ 0 0 20 -3,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.862 113.1 51.7 -86.2 -42.4 -23.5 20.7 -6.2 95 95 A R H X S+ 0 0 16 -4,-2.1 4,-3.1 1,-0.2 5,-0.2 0.969 109.2 50.4 -59.7 -50.3 -23.7 17.1 -7.3 96 96 A R H X S+ 0 0 127 -4,-1.9 4,-3.0 1,-0.2 -1,-0.2 0.875 109.8 51.2 -53.7 -42.0 -21.3 17.7 -10.2 97 97 A T H X S+ 0 0 53 -4,-0.8 4,-1.0 -5,-0.2 -1,-0.2 0.891 111.7 47.0 -64.8 -40.3 -18.8 19.4 -7.8 98 98 A F H >X S+ 0 0 0 -4,-2.2 3,-1.0 2,-0.2 4,-0.6 0.982 114.8 47.7 -62.4 -55.4 -19.0 16.4 -5.5 99 99 A I H >< S+ 0 0 6 -4,-3.1 3,-1.4 1,-0.3 -2,-0.2 0.886 108.5 52.5 -48.9 -55.0 -18.6 14.0 -8.4 100 100 A K H 3< S+ 0 0 117 -4,-3.0 -1,-0.3 1,-0.3 -2,-0.2 0.722 105.5 57.1 -59.5 -24.7 -15.6 15.8 -10.0 101 101 A S H S+ 0 0 3 0, 0.0 4,-2.9 0, 0.0 5,-0.3 0.961 112.8 47.7 -52.4 -52.4 -11.3 10.5 -8.6 104 104 A P H > S+ 0 0 75 0, 0.0 4,-2.3 0, 0.0 -2,-0.2 0.918 114.1 46.9 -52.2 -43.6 -8.5 13.0 -7.7 105 105 A F H X S+ 0 0 30 -4,-1.2 4,-2.2 2,-0.2 6,-0.2 0.920 114.0 45.6 -67.4 -43.5 -9.0 12.4 -3.9 106 106 A L H X>S+ 0 0 0 -4,-2.7 5,-2.2 2,-0.2 4,-0.7 0.935 112.8 51.7 -65.8 -45.1 -9.1 8.6 -4.2 107 107 A R H ><5S+ 0 0 81 -4,-2.9 3,-0.9 -5,-0.3 -2,-0.2 0.935 108.3 52.0 -58.1 -46.7 -6.1 8.6 -6.5 108 108 A T H 3<5S+ 0 0 107 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 0.961 116.7 37.2 -56.6 -51.9 -4.1 10.7 -4.1 109 109 A H H 3<5S- 0 0 44 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.467 114.7-114.6 -87.0 7.8 -4.7 8.5 -1.1 110 110 A G T <<5 + 0 0 29 -3,-0.9 -3,-0.2 -4,-0.7 2,-0.2 0.807 58.5 151.9 67.4 34.8 -4.5 5.4 -3.0 111 111 A F < - 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0 0 65 -2,-1.8 2,-0.4 -7,-0.4 -4,-0.2 -0.990 55.8-138.8-145.6 136.1 -7.3 -17.3 16.6 347 348 A T S S+ 0 0 56 -2,-0.4 -10,-0.2 1,-0.3 5,-0.1 -0.784 85.4 16.0-100.8 142.9 -7.6 -13.7 15.6 348 349 A F S > S+ 0 0 5 -12,-3.3 4,-2.7 -2,-0.4 -1,-0.3 0.991 74.5 173.4 56.7 59.4 -10.6 -12.5 13.7 349 350 A P H > S+ 0 0 1 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.956 72.8 45.4 -60.6 -56.7 -12.6 -15.7 14.6 350 351 A L H > S+ 0 0 0 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.965 117.3 44.9 -56.4 -51.6 -15.9 -14.5 13.1 351 352 A T H > S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 3,-0.3 0.939 111.4 51.5 -64.6 -41.8 -14.3 -13.3 9.9 352 353 A S H X S+ 0 0 28 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.927 107.3 55.3 -59.4 -34.4 -12.1 -16.4 9.5 353 354 A A H X S+ 0 0 5 -4,-2.2 4,-1.2 2,-0.2 -1,-0.2 0.867 107.4 48.2 -66.1 -37.6 -15.2 -18.6 9.9 354 355 A I H >X S+ 0 0 1 -4,-1.6 4,-2.2 -3,-0.3 3,-1.4 0.991 110.6 52.1 -66.9 -54.6 -17.0 -16.9 7.1 355 356 A K H 3X S+ 0 0 71 -4,-2.3 4,-2.4 1,-0.3 -2,-0.2 0.824 102.9 60.2 -44.2 -42.2 -13.9 -17.2 4.9 356 357 A D H 3< S+ 0 0 63 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.2 0.861 107.8 42.0 -62.2 -40.4 -13.8 -20.8 5.5 357 358 A V H X< S+ 0 0 15 -3,-1.4 3,-1.6 -4,-1.2 -2,-0.2 0.944 116.1 50.0 -68.4 -46.5 -17.2 -21.5 4.1 358 359 A L H 3< S+ 0 0 11 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.788 107.0 56.8 -58.8 -29.4 -16.6 -19.2 1.2 359 360 A A T 3< S+ 0 0 67 -4,-2.4 -1,-0.3 -5,-0.3 2,-0.2 0.398 104.3 57.4 -88.7 -0.6 -13.3 -20.9 0.5 360 361 A R < 0 0 154 -3,-1.6 -3,-0.1 -4,-0.2 -4,-0.0 -0.448 360.0 360.0-114.0-163.3 -14.6 -24.3 0.1 361 362 A V 0 0 181 -2,-0.2 -4,-0.1 0, 0.0 -1,-0.0 0.944 360.0 360.0 -69.4 360.0 -17.1 -26.1 -2.1