==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 10-MAY-10 3MY6 . COMPND 2 MOLECULE: RIBOSOME-INACTIVATING PROTEIN MOMORDIN I; . SOURCE 2 ORGANISM_SCIENTIFIC: MOMORDICA BALSAMINA; . AUTHOR G.S.KUSHWAHA,N.SINGH,M.SINHA,A.BHUSHAN,P.KAUR,S.SHARMA,T.P.S . 246 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11430.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 167 67.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 4.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 34 13.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 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 . 15 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 73 29.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.6 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 1 0 0 1 1 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 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 . 2 1 0 1 2 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 ANTIPARALLEL BRIDGES PER LADDER . 2 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 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 D 0 0 120 0, 0.0 2,-0.2 0, 0.0 49,-0.1 0.000 360.0 360.0 360.0 172.5 26.3 10.7 28.6 2 2 A V E -a 50 0A 13 47,-0.6 49,-2.9 19,-0.1 2,-0.3 -0.520 360.0-168.6 -94.2 152.2 23.3 12.8 27.4 3 3 A S E -a 51 0A 57 47,-0.2 2,-0.3 -2,-0.2 49,-0.2 -0.962 8.1-179.8-135.0 148.2 19.6 13.2 28.3 4 4 A F E -a 52 0A 9 47,-1.9 49,-2.1 -2,-0.3 2,-0.5 -0.978 10.6-159.2-147.4 131.0 16.4 14.8 27.0 5 5 A R E -a 53 0A 148 -2,-0.3 49,-0.2 47,-0.2 50,-0.1 -0.953 7.8-158.9-115.0 118.0 12.9 14.8 28.5 6 6 A L > + 0 0 15 47,-2.7 3,-1.5 -2,-0.5 2,-0.4 0.688 69.5 98.1 -66.9 -18.3 10.0 15.4 26.1 7 7 A S T 3 S- 0 0 64 47,-0.3 -2,-0.1 46,-0.3 3,-0.1 -0.596 103.5 -2.0 -75.2 124.7 7.9 16.5 29.2 8 8 A G T 3 S+ 0 0 73 -2,-0.4 2,-0.3 1,-0.2 -1,-0.3 0.753 99.3 152.2 68.0 22.0 7.8 20.2 29.5 9 9 A A < + 0 0 13 -3,-1.5 -1,-0.2 166,-0.1 -3,-0.1 -0.666 16.8 171.3 -88.5 141.7 10.2 20.4 26.5 10 10 A D > - 0 0 64 -2,-0.3 4,-1.9 -3,-0.1 5,-0.2 -0.767 53.9 -79.6-135.2 178.3 10.1 23.5 24.2 11 11 A P H > S+ 0 0 44 0, 0.0 4,-1.8 0, 0.0 5,-0.1 0.784 126.8 54.7 -53.6 -29.2 12.3 24.6 21.3 12 12 A S H > S+ 0 0 74 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.954 107.4 43.6 -73.6 -52.3 14.9 25.9 23.8 13 13 A S H > S+ 0 0 37 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.846 112.8 54.9 -64.4 -31.6 15.5 22.7 25.8 14 14 A Y H X S+ 0 0 0 -4,-1.9 4,-2.6 2,-0.2 3,-0.5 0.972 106.1 51.5 -63.4 -51.4 15.6 20.7 22.6 15 15 A G H X S+ 0 0 12 -4,-1.8 4,-2.0 1,-0.3 -2,-0.2 0.903 109.5 51.2 -49.6 -45.2 18.3 23.0 21.4 16 16 A M H X S+ 0 0 122 -4,-2.1 4,-2.1 1,-0.2 -1,-0.3 0.839 108.4 50.7 -63.3 -35.6 20.2 22.4 24.6 17 17 A F H X S+ 0 0 4 -4,-1.9 4,-2.3 -3,-0.5 -1,-0.2 0.913 110.9 48.4 -69.4 -41.8 20.0 18.7 24.3 18 18 A I H X S+ 0 0 0 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.868 110.9 51.4 -66.2 -34.4 21.3 18.8 20.7 19 19 A K H X S+ 0 0 129 -4,-2.0 4,-2.5 -5,-0.3 -1,-0.2 0.915 109.4 49.3 -66.7 -44.1 24.1 21.0 21.8 20 20 A D H X S+ 0 0 83 -4,-2.1 4,-1.5 1,-0.2 -2,-0.2 0.907 109.8 53.8 -60.4 -41.8 25.1 18.6 24.6 21 21 A L H < S+ 0 0 1 -4,-2.3 4,-0.4 2,-0.2 -1,-0.2 0.872 108.6 47.4 -60.9 -41.0 24.9 15.8 22.0 22 22 A R H >< S+ 0 0 36 -4,-1.9 3,-1.2 1,-0.2 -1,-0.2 0.927 113.7 48.0 -67.4 -43.2 27.4 17.6 19.7 23 23 A N H 3< S+ 0 0 119 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.702 100.1 66.9 -70.4 -20.3 29.7 18.3 22.6 24 24 A A T 3< S+ 0 0 39 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.631 85.0 88.6 -75.2 -12.8 29.5 14.7 23.8 25 25 A L S < S- 0 0 6 -3,-1.2 2,-0.2 -4,-0.4 42,-0.1 -0.728 78.9-130.2 -89.8 127.1 31.4 13.6 20.7 26 26 A P + 0 0 57 0, 0.0 12,-0.9 0, 0.0 2,-0.3 -0.511 33.8 162.2 -79.5 147.2 35.2 13.6 20.8 27 27 A H - 0 0 79 -2,-0.2 10,-0.1 10,-0.2 3,-0.1 -0.965 27.0-159.3-154.4 150.5 37.2 15.3 18.1 28 28 A T S S+ 0 0 123 8,-0.5 2,-0.3 -2,-0.3 -1,-0.1 0.772 74.2 20.2-103.4 -37.1 40.9 16.4 18.1 29 29 A E - 0 0 112 7,-0.4 7,-2.3 5,-0.0 2,-0.3 -0.824 64.7-131.1-131.3 169.1 40.9 18.9 15.3 30 30 A K E -F 35 0B 115 -2,-0.3 2,-0.5 5,-0.2 -3,-0.0 -0.887 9.6-152.0-118.5 151.2 38.6 21.2 13.3 31 31 A V E > S-F 34 0B 2 3,-2.1 3,-0.5 -2,-0.3 169,-0.0 -0.958 85.5 -16.4-125.2 107.7 38.5 21.5 9.6 32 32 A Y T 3 S- 0 0 89 -2,-0.5 -1,-0.1 1,-0.2 168,-0.0 0.836 133.2 -51.2 61.8 31.6 37.3 25.0 8.4 33 33 A N T 3 S+ 0 0 137 1,-0.3 -1,-0.2 205,-0.0 -3,-0.0 0.519 114.3 117.6 86.4 18.8 36.0 25.5 11.9 34 34 A I E < S-F 31 0B 10 -3,-0.5 -3,-2.1 205,-0.0 2,-0.3 -0.876 72.4-105.3-116.7 138.0 34.1 22.4 12.1 35 35 A P E -F 30 0B 30 0, 0.0 205,-2.0 0, 0.0 2,-0.6 -0.443 31.0-149.5 -61.8 120.6 34.6 19.4 14.5 36 36 A L B -g 240 0C 11 -7,-2.3 -8,-0.5 -2,-0.3 -7,-0.4 -0.833 18.7-127.2 -90.5 125.9 36.2 16.5 12.6 37 37 A L - 0 0 1 203,-3.1 -10,-0.2 -2,-0.6 30,-0.1 -0.363 33.6 -93.5 -69.9 149.3 35.0 13.2 14.0 38 38 A L - 0 0 35 -12,-0.9 204,-0.3 28,-0.3 3,-0.1 -0.196 24.8-125.1 -61.3 151.2 37.6 10.7 15.0 39 39 A P S S- 0 0 41 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.947 83.6 -29.3 -62.1 -48.7 38.8 8.0 12.5 40 40 A S - 0 0 75 26,-0.0 2,-0.3 2,-0.0 204,-0.0 -0.970 56.4-151.3-161.6 165.2 38.0 5.2 15.0 41 41 A V - 0 0 33 -2,-0.3 2,-0.4 -3,-0.1 5,-0.1 -0.989 17.2-129.8-145.4 146.6 37.9 4.5 18.7 42 42 A S > - 0 0 114 -2,-0.3 3,-0.6 3,-0.1 2,-0.1 -0.817 58.2 -8.3-107.8 141.0 38.4 1.4 20.7 43 43 A G G > S- 0 0 26 -2,-0.4 3,-1.8 1,-0.2 51,-0.1 -0.348 113.5 -29.1 84.1-163.7 36.3 -0.2 23.4 44 44 A A G > S+ 0 0 57 1,-0.3 3,-1.6 2,-0.2 -1,-0.2 0.637 123.3 79.8 -64.7 -14.7 33.2 1.0 25.2 45 45 A G G < S+ 0 0 55 -3,-0.6 -1,-0.3 1,-0.3 -2,-0.1 0.613 78.3 70.3 -69.5 -10.1 34.6 4.5 24.6 46 46 A R G < S+ 0 0 54 -3,-1.8 20,-2.0 -5,-0.1 2,-0.4 0.536 91.2 75.2 -83.4 -6.2 33.3 4.3 21.1 47 47 A Y E < - B 0 65A 23 -3,-1.6 2,-0.4 18,-0.2 18,-0.2 -0.908 58.5-161.3-121.1 136.8 29.7 4.6 22.3 48 48 A L E - B 0 64A 14 16,-2.9 16,-3.2 -2,-0.4 2,-0.5 -0.903 15.8-143.0-109.7 135.1 27.5 7.3 23.6 49 49 A L E - B 0 63A 40 -2,-0.4 -47,-0.6 14,-0.2 2,-0.5 -0.867 10.3-163.4-103.7 124.3 24.3 6.6 25.6 50 50 A M E -aB 2 62A 2 12,-2.8 12,-2.8 -2,-0.5 2,-0.6 -0.913 6.0-155.0-104.8 126.8 21.3 8.8 25.1 51 51 A H E -aB 3 61A 46 -49,-2.9 -47,-1.9 -2,-0.5 2,-0.4 -0.904 16.0-172.0-102.9 122.1 18.6 8.6 27.8 52 52 A L E -aB 4 60A 0 8,-2.3 8,-1.5 -2,-0.6 2,-0.5 -0.958 8.8-166.3-119.4 130.8 15.2 9.6 26.4 53 53 A F E -aB 5 59A 38 -49,-2.1 -47,-2.7 -2,-0.4 -46,-0.3 -0.954 11.8-146.1-116.1 126.7 12.0 10.1 28.3 54 54 A N > - 0 0 1 4,-2.3 3,-2.1 -2,-0.5 -47,-0.3 -0.228 43.9 -82.3 -79.4 178.7 8.7 10.4 26.7 55 55 A Y T 3 S+ 0 0 148 1,-0.3 -1,-0.1 -49,-0.2 79,-0.0 0.878 130.5 50.3 -49.5 -46.5 5.9 12.6 28.0 56 56 A D T 3 S- 0 0 131 1,-0.1 -1,-0.3 -49,-0.0 -2,-0.0 0.522 121.2-106.0 -73.4 -3.5 4.7 10.1 30.6 57 57 A G S < S+ 0 0 39 -3,-2.1 -2,-0.1 1,-0.3 -1,-0.1 0.428 71.5 141.1 97.3 -3.6 8.3 9.6 31.8 58 58 A N - 0 0 82 -5,-0.1 -4,-2.3 1,-0.0 2,-0.3 -0.400 36.4-149.5 -70.1 153.5 9.1 6.2 30.4 59 59 A T E -B 53 0A 53 -6,-0.2 18,-0.5 -2,-0.1 2,-0.3 -0.891 25.5-173.3-133.4 158.3 12.6 5.8 29.0 60 60 A I E -B 52 0A 0 -8,-1.5 -8,-2.3 -2,-0.3 2,-0.5 -0.984 22.2-139.6-139.9 140.5 14.8 4.1 26.4 61 61 A T E -BC 51 75A 19 14,-1.6 14,-2.5 -2,-0.3 2,-0.4 -0.924 18.8-157.8-106.3 126.6 18.6 4.3 26.3 62 62 A V E -BC 50 74A 0 -12,-2.8 -12,-2.8 -2,-0.5 2,-0.6 -0.872 7.6-141.5-110.0 134.7 20.1 4.6 22.8 63 63 A A E -BC 49 73A 0 10,-2.3 9,-3.1 -2,-0.4 10,-0.7 -0.829 18.5-169.6 -98.8 124.0 23.6 3.8 21.9 64 64 A V E -BC 48 71A 3 -16,-3.2 -16,-2.9 -2,-0.6 2,-0.9 -0.890 24.0-127.1-113.7 138.1 25.3 6.1 19.4 65 65 A D E >>> -BC 47 70A 3 5,-2.6 4,-3.5 -2,-0.4 3,-1.9 -0.760 18.5-152.2 -84.9 108.6 28.6 5.4 17.6 66 66 A V T 345S+ 0 0 6 -20,-2.0 -28,-0.3 -2,-0.9 -1,-0.1 0.520 88.2 62.5 -61.1 -7.5 30.7 8.5 18.3 67 67 A T T 345S+ 0 0 0 -21,-0.4 175,-0.5 -30,-0.1 -1,-0.3 0.627 130.2 3.4 -91.6 -14.4 32.8 8.2 15.1 68 68 A N T <45S- 0 0 22 -3,-1.9 -2,-0.2 2,-0.1 173,-0.1 0.393 94.1-117.5-146.3 -7.2 29.8 8.6 12.8 69 69 A V T <5 + 0 0 1 -4,-3.5 2,-0.3 1,-0.2 -3,-0.2 0.751 57.1 157.5 69.2 27.5 26.8 9.2 15.1 70 70 A Y E < -C 65 0A 100 -5,-0.7 -5,-2.6 89,-0.1 2,-0.4 -0.648 46.6-120.8 -85.7 138.3 25.0 6.1 14.0 71 71 A I E -C 64 0A 7 -2,-0.3 -7,-0.2 -7,-0.2 3,-0.1 -0.668 30.5-178.9 -73.0 128.6 22.3 4.6 16.2 72 72 A M E - 0 0 1 -9,-3.1 11,-2.1 1,-0.5 2,-0.3 0.783 55.7 -53.0 -99.2 -38.5 23.5 1.0 17.0 73 73 A G E -CD 63 82A 1 -10,-0.7 -10,-2.3 9,-0.2 -1,-0.5 -0.934 51.7-130.9-178.7-171.8 20.7 -0.3 19.2 74 74 A Y E -CD 62 81A 2 7,-2.2 7,-2.9 -2,-0.3 2,-0.5 -0.971 12.9-120.2-158.0 164.1 18.7 0.7 22.3 75 75 A L E -CD 61 80A 33 -14,-2.5 -14,-1.6 -2,-0.3 2,-0.5 -0.952 17.8-173.8-116.8 130.8 17.5 -0.7 25.6 76 76 A A E > - D 0 79A 3 3,-2.9 3,-2.2 -2,-0.5 2,-0.9 -0.949 66.9 -52.5-128.7 109.8 13.9 -0.9 26.6 77 77 A L T 3 S- 0 0 153 -2,-0.5 63,-0.0 -18,-0.5 -2,-0.0 -0.530 123.2 -22.3 56.6 -97.0 13.4 -2.1 30.2 78 78 A T T 3 S+ 0 0 38 -2,-0.9 23,-1.4 21,-0.1 22,-1.3 0.192 120.5 89.5-124.6 11.8 15.4 -5.2 30.3 79 79 A T E < -De 76 101A 13 -3,-2.2 -3,-2.9 21,-0.2 2,-0.4 -0.935 59.1-154.5-112.3 136.1 15.5 -6.0 26.6 80 80 A S E -De 75 102A 2 21,-2.7 23,-3.4 -2,-0.4 2,-0.4 -0.848 5.7-160.7-105.9 144.2 18.2 -4.7 24.3 81 81 A Y E -De 74 103A 7 -7,-2.9 -7,-2.2 -2,-0.4 2,-0.3 -0.993 10.6-177.9-124.0 130.0 17.5 -4.3 20.5 82 82 A F E -De 73 104A 2 21,-2.3 23,-3.0 -2,-0.4 -9,-0.2 -0.922 30.2-105.3-127.0 151.8 20.3 -4.1 18.0 83 83 A F - 0 0 4 -11,-2.1 2,-1.5 -2,-0.3 25,-0.2 -0.347 36.4-109.4 -70.4 156.9 20.4 -3.6 14.3 84 84 A N S S+ 0 0 98 23,-2.7 -1,-0.1 20,-0.1 3,-0.1 -0.660 82.1 98.4 -90.1 83.0 21.1 -6.6 12.1 85 85 A E S > S- 0 0 45 -2,-1.5 4,-2.2 23,-0.1 3,-0.3 -0.964 83.1-104.1-161.5 151.1 24.6 -5.5 10.9 86 86 A P H > S+ 0 0 116 0, 0.0 4,-2.0 0, 0.0 5,-0.2 0.839 116.7 50.1 -45.3 -47.8 28.3 -6.1 11.8 87 87 A A H > S+ 0 0 44 1,-0.2 4,-2.5 2,-0.2 5,-0.1 0.919 110.3 49.5 -62.3 -45.5 28.9 -2.8 13.6 88 88 A A H > S+ 0 0 0 -3,-0.3 4,-1.7 1,-0.2 -1,-0.2 0.892 110.5 51.1 -61.7 -39.7 25.8 -3.2 15.8 89 89 A D H < S+ 0 0 82 -4,-2.2 4,-0.3 2,-0.2 -1,-0.2 0.890 110.4 48.3 -66.0 -38.0 26.8 -6.7 16.7 90 90 A L H >< S+ 0 0 78 -4,-2.0 3,-1.3 -5,-0.2 -2,-0.2 0.908 110.3 53.3 -66.2 -39.7 30.3 -5.5 17.7 91 91 A A H >X S+ 0 0 0 -4,-2.5 3,-1.8 1,-0.3 4,-1.1 0.812 93.6 70.9 -63.5 -32.1 28.6 -2.8 19.7 92 92 A S T 3< S+ 0 0 17 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.658 89.4 65.2 -61.5 -15.3 26.5 -5.3 21.6 93 93 A Q T <4 S+ 0 0 108 -3,-1.3 -1,-0.3 -4,-0.3 -2,-0.2 0.633 108.4 34.3 -82.4 -16.7 29.6 -6.4 23.4 94 94 A Y T <4 S+ 0 0 96 -3,-1.8 2,-0.3 -4,-0.2 3,-0.2 0.532 114.7 50.4-115.5 -11.3 30.2 -3.1 25.2 95 95 A V S < S+ 0 0 14 -4,-1.1 -1,-0.1 1,-0.2 4,-0.1 -0.941 103.6 14.9-132.7 155.5 26.7 -1.9 26.0 96 96 A F S S+ 0 0 23 -2,-0.3 3,-0.5 1,-0.1 -1,-0.2 0.922 71.7 147.0 51.8 50.2 23.4 -3.2 27.5 97 97 A R + 0 0 171 1,-0.2 -1,-0.1 -3,-0.2 -2,-0.1 0.732 64.3 59.2 -85.6 -24.8 25.3 -6.1 29.0 98 98 A S S S+ 0 0 120 3,-0.0 -1,-0.2 2,-0.0 2,-0.1 0.332 80.7 125.2 -84.6 6.6 23.1 -6.3 32.0 99 99 A A - 0 0 24 -3,-0.5 -20,-0.2 1,-0.1 3,-0.1 -0.442 58.1-147.2 -68.3 140.5 20.2 -6.8 29.7 100 100 A R S S+ 0 0 208 -22,-1.3 2,-0.3 1,-0.2 -21,-0.2 0.738 83.2 20.9 -80.3 -25.4 18.2 -10.0 30.4 101 101 A R E -e 79 0A 148 -23,-1.4 -21,-2.7 2,-0.0 2,-0.4 -0.995 66.2-157.1-145.1 141.6 17.3 -10.5 26.7 102 102 A K E -e 80 0A 95 -2,-0.3 2,-0.4 -23,-0.2 -21,-0.2 -0.990 10.6-168.4-126.2 125.9 18.9 -9.3 23.5 103 103 A I E -e 81 0A 29 -23,-3.4 -21,-2.3 -2,-0.4 2,-0.6 -0.928 13.1-145.0-116.1 134.2 17.0 -9.1 20.2 104 104 A T E -e 82 0A 59 -2,-0.4 -21,-0.2 -23,-0.2 -20,-0.1 -0.860 22.6-129.0 -99.1 122.6 18.4 -8.5 16.8 105 105 A L - 0 0 1 -23,-3.0 2,-0.3 -2,-0.6 -21,-0.0 -0.365 21.7-116.3 -65.9 147.7 16.1 -6.5 14.5 106 106 A P S S+ 0 0 71 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.074 91.5 46.4 -76.2 27.1 15.4 -8.0 11.1 107 107 A Y S S- 0 0 7 -2,-0.3 -23,-2.7 -22,-0.0 -2,-0.1 -0.985 81.9-108.4-161.5 157.0 17.2 -5.2 9.2 108 108 A S - 0 0 23 -2,-0.3 -23,-0.1 -25,-0.2 6,-0.0 -0.312 43.0-104.2 -79.6 173.3 20.4 -3.0 9.2 109 109 A G S S+ 0 0 18 4,-0.1 2,-0.2 -38,-0.1 -38,-0.1 0.318 76.2 116.0 -88.4 10.7 20.1 0.6 10.2 110 110 A N S >> S- 0 0 75 1,-0.1 4,-2.5 4,-0.0 3,-0.8 -0.577 73.6-116.5 -85.2 143.8 20.3 2.5 7.0 111 111 A Y H 3> S+ 0 0 38 1,-0.3 4,-2.2 -2,-0.2 5,-0.2 0.791 112.4 58.8 -38.0 -44.6 17.4 4.6 5.7 112 112 A E H 3> S+ 0 0 129 2,-0.2 4,-1.2 1,-0.2 -1,-0.3 0.949 111.5 37.6 -57.2 -53.1 17.0 2.4 2.7 113 113 A R H <> S+ 0 0 74 -3,-0.8 4,-2.3 1,-0.2 3,-0.3 0.919 115.5 55.5 -65.2 -42.7 16.4 -0.8 4.7 114 114 A L H X S+ 0 0 0 -4,-2.5 4,-1.1 1,-0.2 6,-0.2 0.791 106.6 50.1 -60.2 -31.9 14.4 1.1 7.3 115 115 A Q H X S+ 0 0 39 -4,-2.2 4,-0.8 -5,-0.3 5,-0.5 0.790 109.4 51.5 -78.5 -28.2 12.0 2.5 4.7 116 116 A I H >< S+ 0 0 105 -4,-1.2 3,-0.8 -3,-0.3 -2,-0.2 0.962 112.2 44.4 -70.9 -50.1 11.4 -0.9 3.2 117 117 A A H 3< S+ 0 0 25 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.764 115.5 49.7 -64.1 -28.6 10.6 -2.5 6.6 118 118 A A H 3< S- 0 0 19 -4,-1.1 -1,-0.2 -5,-0.2 -2,-0.2 0.624 101.8-132.4 -87.7 -14.9 8.4 0.4 7.5 119 119 A G S << S+ 0 0 67 -4,-0.8 -3,-0.1 -3,-0.8 -4,-0.1 0.434 77.4 82.7 78.7 -3.1 6.4 0.4 4.3 120 120 A K S S- 0 0 112 -5,-0.5 -2,-0.2 -6,-0.2 2,-0.2 -0.974 75.1-127.0-135.6 147.7 6.9 4.2 3.9 121 121 A P > - 0 0 52 0, 0.0 3,-1.6 0, 0.0 4,-0.1 -0.583 36.9-112.1 -83.5 156.6 9.7 6.5 2.5 122 122 A R G > S+ 0 0 10 1,-0.3 3,-0.7 -2,-0.2 64,-0.0 0.589 110.8 76.6 -70.9 -4.8 10.6 9.2 5.0 123 123 A E G 3 S+ 0 0 82 1,-0.2 -1,-0.3 57,-0.1 60,-0.0 0.805 101.7 43.2 -69.0 -27.4 9.2 11.9 2.8 124 124 A K G < S+ 0 0 130 -3,-1.6 -1,-0.2 56,-0.1 -2,-0.2 0.308 93.5 91.6-100.8 6.1 5.8 10.7 4.1 125 125 A I S < S- 0 0 18 -3,-0.7 2,-0.2 -4,-0.1 54,-0.1 -0.910 73.1-133.1-106.2 120.4 6.6 10.2 7.8 126 126 A P - 0 0 60 0, 0.0 54,-0.3 0, 0.0 2,-0.3 -0.498 25.2-169.2 -72.5 135.5 5.9 13.3 10.0 127 127 A I B +H 179 0D 3 52,-1.5 52,-2.5 -2,-0.2 2,-0.3 -0.754 27.7 105.6-119.9 169.4 8.6 14.3 12.4 128 128 A G S > S- 0 0 0 -2,-0.3 4,-1.3 50,-0.2 47,-0.2 -0.865 81.7 -64.2 148.6-177.1 8.8 16.7 15.3 129 129 A L H > S+ 0 0 6 45,-2.0 4,-2.3 42,-0.4 46,-0.2 0.842 131.8 53.6 -70.4 -34.4 8.9 16.5 19.1 130 130 A P H > S+ 0 0 45 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.936 109.8 49.1 -64.9 -38.7 5.4 15.0 19.3 131 131 A A H > S+ 0 0 4 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.810 108.6 53.9 -66.3 -30.7 6.6 12.3 16.9 132 132 A L H X S+ 0 0 0 -4,-1.3 4,-2.6 2,-0.2 -1,-0.2 0.932 106.0 52.0 -69.8 -43.8 9.6 11.7 19.0 133 133 A D H X S+ 0 0 41 -4,-2.3 4,-1.5 1,-0.2 -2,-0.2 0.850 113.6 44.3 -59.6 -36.6 7.5 11.2 22.1 134 134 A T H X S+ 0 0 69 -4,-1.7 4,-2.6 2,-0.2 -1,-0.2 0.848 109.3 56.5 -76.3 -34.3 5.4 8.6 20.2 135 135 A A H X S+ 0 0 3 -4,-2.1 4,-1.6 2,-0.2 -2,-0.2 0.944 106.8 49.3 -60.8 -48.7 8.5 7.0 18.7 136 136 A I H >X S+ 0 0 1 -4,-2.6 4,-0.8 1,-0.2 3,-0.5 0.942 111.8 50.2 -52.7 -49.3 9.9 6.4 22.2 137 137 A S H >X S+ 0 0 44 -4,-1.5 3,-0.7 1,-0.2 4,-0.5 0.875 108.3 51.2 -56.6 -44.9 6.5 4.9 23.1 138 138 A T H 3< S+ 0 0 47 -4,-2.6 3,-0.3 1,-0.2 -1,-0.2 0.745 108.0 53.7 -66.9 -25.4 6.5 2.6 20.1 139 139 A L H << S+ 0 0 2 -4,-1.6 -1,-0.2 -3,-0.5 -2,-0.2 0.641 90.8 72.3 -87.3 -14.2 9.9 1.3 21.0 140 140 A L H << S+ 0 0 32 -4,-0.8 2,-0.5 -3,-0.7 -1,-0.2 0.804 104.1 43.5 -69.1 -27.4 9.1 0.3 24.6 141 141 A H S < S- 0 0 152 -4,-0.5 -1,-0.2 -3,-0.3 6,-0.0 -0.918 100.7-110.2-127.8 108.4 7.1 -2.6 23.2 142 142 A Y + 0 0 103 -2,-0.5 2,-0.1 -3,-0.2 -3,-0.1 0.166 52.1 140.0 -37.2 138.2 8.5 -4.6 20.4 143 143 A D > - 0 0 80 -4,-0.1 4,-3.3 2,-0.0 5,-0.3 -0.442 35.2-153.7 178.7 98.8 7.1 -4.6 16.9 144 144 A S H > S+ 0 0 33 1,-0.2 4,-1.5 2,-0.2 5,-0.1 0.787 95.3 48.7 -54.7 -35.3 9.6 -4.6 14.1 145 145 A T H > S+ 0 0 85 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.916 117.2 41.5 -72.2 -42.0 7.3 -2.9 11.6 146 146 A A H > S+ 0 0 32 1,-0.2 4,-2.7 2,-0.2 -2,-0.2 0.861 112.0 55.8 -72.0 -35.9 6.4 -0.1 14.0 147 147 A A H X S+ 0 0 2 -4,-3.3 4,-2.6 2,-0.2 -1,-0.2 0.848 101.6 57.7 -64.2 -36.0 10.0 0.1 15.3 148 148 A A H X S+ 0 0 0 -4,-1.5 4,-1.6 -5,-0.3 -1,-0.2 0.945 111.2 42.3 -60.4 -46.3 11.2 0.7 11.7 149 149 A G H X S+ 0 0 20 -4,-1.3 4,-1.5 1,-0.2 -2,-0.2 0.936 114.1 51.2 -65.3 -46.0 9.0 3.7 11.5 150 150 A A H X S+ 0 0 7 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.851 109.0 51.8 -59.8 -36.6 9.9 4.9 15.0 151 151 A L H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 5,-0.3 0.833 102.6 57.4 -72.2 -33.1 13.6 4.6 14.3 152 152 A L H X S+ 0 0 0 -4,-1.6 4,-1.4 -5,-0.2 -1,-0.2 0.913 112.5 42.9 -63.5 -37.7 13.3 6.7 11.2 153 153 A V H X S+ 0 0 8 -4,-1.5 4,-2.6 1,-0.2 -2,-0.2 0.927 113.4 51.4 -70.7 -45.9 11.9 9.5 13.4 154 154 A L H X S+ 0 0 0 -4,-2.5 4,-0.5 1,-0.2 5,-0.4 0.842 109.5 49.4 -60.4 -40.0 14.4 8.9 16.2 155 155 A I H <>S+ 0 0 17 -4,-2.5 5,-2.3 3,-0.2 3,-0.5 0.924 114.8 44.5 -65.9 -42.5 17.5 9.2 13.9 156 156 A Q H <>S+ 0 0 0 -4,-1.4 5,-0.7 -5,-0.3 -2,-0.2 0.915 110.5 50.5 -70.9 -46.5 16.3 12.3 12.3 157 157 A T H <5S+ 0 0 0 -4,-2.6 -1,-0.2 3,-0.1 -2,-0.2 0.554 130.1 18.0 -69.7 -7.6 15.2 14.2 15.4 158 158 A T T X5S+ 0 0 1 -4,-0.5 4,-2.3 -3,-0.5 3,-0.3 0.544 129.5 30.6-124.2 -82.1 18.6 13.4 17.0 159 159 A A H >5S+ 0 0 2 -5,-0.4 4,-1.9 1,-0.2 -3,-0.2 0.901 123.6 46.4 -50.3 -51.2 21.6 12.3 14.9 160 160 A E H > S+ 0 0 72 71,-2.3 4,-2.5 -2,-0.4 5,-0.2 0.874 98.3 61.5 -63.4 -34.4 21.7 23.2 12.3 166 166 A Y H > S+ 0 0 50 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.916 104.8 46.6 -58.0 -43.5 19.1 23.5 9.6 167 167 A I H > S+ 0 0 0 -7,-0.3 4,-1.7 -3,-0.2 -1,-0.2 0.872 108.4 55.4 -69.4 -33.1 17.6 20.2 10.6 168 168 A E H X S+ 0 0 17 -4,-1.7 4,-1.7 -7,-0.4 -1,-0.2 0.920 109.7 48.0 -61.9 -41.2 17.7 21.2 14.3 169 169 A Q H X S+ 0 0 76 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.887 105.9 57.2 -66.6 -38.6 15.7 24.3 13.3 170 170 A Q H X S+ 0 0 13 -4,-2.2 4,-0.7 1,-0.2 -1,-0.2 0.849 109.9 45.7 -59.8 -35.0 13.2 22.2 11.4 171 171 A I H < S+ 0 0 0 -4,-1.7 -42,-0.4 2,-0.2 -1,-0.2 0.796 107.7 55.2 -80.3 -29.5 12.5 20.3 14.5 172 172 A Q H >< S+ 0 0 52 -4,-1.7 3,-1.2 1,-0.2 -2,-0.2 0.876 106.6 52.1 -69.6 -35.1 12.3 23.3 16.7 173 173 A E H 3< S+ 0 0 137 -4,-2.2 3,-0.3 1,-0.3 -1,-0.2 0.796 110.5 51.3 -66.9 -27.3 9.6 24.6 14.3 174 174 A R T 3< S+ 0 0 10 -4,-0.7 -45,-2.0 -5,-0.2 -1,-0.3 -0.139 72.5 118.8-101.3 37.2 7.9 21.2 14.8 175 175 A A S < S+ 0 0 7 -3,-1.2 -1,-0.2 -47,-0.2 -2,-0.1 0.710 91.3 16.4 -77.1 -19.9 7.9 21.2 18.6 176 176 A Y S S+ 0 0 172 -3,-0.3 2,-0.3 1,-0.3 -1,-0.2 0.361 129.6 46.0-131.1 0.7 4.1 21.0 19.1 177 177 A R S S- 0 0 178 -4,-0.1 -1,-0.3 -50,-0.0 -48,-0.2 -0.964 75.0-134.8-148.2 126.4 3.1 19.9 15.6 178 178 A D + 0 0 55 -2,-0.3 2,-0.3 -50,-0.1 -50,-0.2 -0.469 25.8 175.3 -80.2 153.3 4.5 17.2 13.5 179 179 A E B -H 127 0D 93 -52,-2.5 -52,-1.5 -2,-0.1 3,-0.1 -0.933 36.0-104.7-159.4 133.3 5.3 17.7 9.8 180 180 A V - 0 0 58 -2,-0.3 -57,-0.1 -54,-0.3 -56,-0.1 -0.165 54.2 -94.0 -53.4 151.9 6.9 15.5 7.1 181 181 A P - 0 0 9 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.363 37.2-111.8 -72.6 153.9 10.4 16.8 6.3 182 182 A S > - 0 0 33 -3,-0.1 4,-1.8 1,-0.1 5,-0.2 -0.370 27.9-108.8 -79.0 159.7 11.2 19.2 3.5 183 183 A S H > S+ 0 0 78 1,-0.2 4,-2.3 2,-0.2 33,-0.3 0.844 120.1 57.2 -56.6 -36.5 13.2 18.2 0.4 184 184 A A H > S+ 0 0 9 33,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.969 105.0 51.4 -58.9 -53.3 16.1 20.2 1.6 185 185 A T H > S+ 0 0 1 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.877 111.5 46.7 -50.3 -46.4 16.2 18.2 4.8 186 186 A I H X S+ 0 0 15 -4,-1.8 4,-1.8 2,-0.2 -1,-0.2 0.877 112.7 46.5 -70.1 -38.0 16.2 14.9 3.0 187 187 A S H X S+ 0 0 18 -4,-2.3 4,-1.2 2,-0.2 -1,-0.2 0.809 112.1 53.4 -74.2 -25.6 18.9 15.8 0.5 188 188 A L H >X S+ 0 0 8 -4,-2.2 3,-1.4 -5,-0.2 4,-0.9 0.983 107.9 49.8 -67.8 -56.1 21.0 17.2 3.3 189 189 A E H >< S+ 0 0 10 -4,-2.5 3,-0.5 1,-0.3 4,-0.2 0.847 112.5 48.9 -47.9 -40.4 20.6 13.9 5.2 190 190 A N H 3< S+ 0 0 100 -4,-1.8 4,-0.3 1,-0.2 3,-0.3 0.727 109.8 51.4 -75.0 -22.9 21.7 12.1 2.1 191 191 A S H S+ 0 0 48 -3,-0.3 4,-2.6 -4,-0.2 5,-0.2 0.978 115.1 45.2 -64.5 -60.6 29.1 11.8 3.5 194 194 A G H > S+ 0 0 32 -4,-0.3 4,-2.7 1,-0.2 5,-0.2 0.920 116.1 46.5 -50.9 -52.3 29.8 13.6 0.3 195 195 A L H X S+ 0 0 1 -4,-3.1 4,-2.7 1,-0.2 5,-0.3 0.921 110.1 54.5 -58.3 -45.5 30.0 17.0 2.0 196 196 A S H X S+ 0 0 0 -4,-2.0 4,-1.5 -5,-0.4 -1,-0.2 0.919 112.3 42.9 -55.6 -46.9 32.2 15.6 4.7 197 197 A K H X S+ 0 0 85 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.940 114.2 50.0 -66.8 -47.3 34.7 14.3 2.2 198 198 A Q H X S+ 0 0 7 -4,-2.7 4,-0.9 1,-0.2 12,-0.3 0.879 107.2 52.8 -59.9 -42.1 34.7 17.4 -0.0 199 199 A I H < S+ 0 0 0 -4,-2.7 3,-0.5 1,-0.2 4,-0.5 0.923 113.5 45.5 -60.7 -41.5 35.2 19.9 2.8 200 200 A Q H >< S+ 0 0 15 -4,-1.5 3,-1.0 -5,-0.3 -2,-0.2 0.882 109.1 54.2 -68.3 -39.1 38.2 17.8 3.9 201 201 A L H 3< S+ 0 0 63 -4,-2.5 3,-0.4 1,-0.2 -1,-0.2 0.641 103.1 62.4 -68.6 -13.5 39.5 17.6 0.3 202 202 A A T ><>S+ 0 0 0 -4,-0.9 5,-3.0 -3,-0.5 3,-1.1 0.682 80.2 78.7 -87.3 -18.4 39.3 21.4 0.2 203 203 A Q T < 5S+ 0 0 108 -3,-1.0 -1,-0.2 -4,-0.5 -2,-0.1 0.556 103.1 36.7 -72.2 -5.0 41.8 22.2 2.9 204 204 A G T 3 5S+ 0 0 68 -3,-0.4 -1,-0.3 -4,-0.2 -2,-0.1 0.299 115.4 60.8-118.2 2.2 44.8 21.5 0.6 205 205 A N T X 5S- 0 0 44 -3,-1.1 3,-1.7 3,-0.0 -2,-0.2 -0.121 119.8 -94.4-122.3 35.9 42.9 23.0 -2.3 206 206 A N T 3 5S- 0 0 158 1,-0.3 -3,-0.2 -3,-0.1 3,-0.1 0.744 80.1 -62.5 60.6 24.0 42.2 26.6 -1.2 207 207 A G T 3 S-J 208 0F 58 -19,-0.3 3,-1.6 -17,-0.0 -19,-0.2 -0.950 78.8-103.3-146.1 164.3 33.6 25.8 -2.2 228 228 A V T 3 S+ 0 0 25 -21,-2.7 -20,-0.1 -2,-0.3 -21,-0.1 0.352 105.1 83.1 -72.5 11.0 33.7 26.2 1.6 229 229 A T T 3 + 0 0 112 -22,-0.3 -1,-0.3 4,-0.1 -21,-0.1 0.658 68.9 105.9 -85.2 -17.1 32.3 29.7 1.3 230 230 A S S X> S- 0 0 30 -3,-1.6 4,-3.2 1,-0.1 3,-0.6 -0.166 82.5-115.7 -63.9 156.0 28.7 28.4 1.0 231 231 A N H 3> S+ 0 0 122 1,-0.2 4,-3.9 2,-0.2 5,-0.2 0.902 113.7 63.8 -55.7 -47.4 26.2 28.6 3.9 232 232 A V H 3>>S+ 0 0 12 1,-0.2 5,-2.7 2,-0.2 4,-0.8 0.877 115.0 31.8 -44.9 -44.8 26.0 24.9 4.2 233 233 A V H <45S+ 0 0 6 -3,-0.6 3,-0.2 -6,-0.2 -2,-0.2 0.914 122.3 46.3 -83.4 -47.0 29.7 25.0 5.2 234 234 A T H <5S+ 0 0 93 -4,-3.2 -3,-0.2 1,-0.2 -2,-0.2 0.877 136.3 0.8 -66.6 -37.3 29.9 28.4 7.0 235 235 A S H <5S+ 0 0 59 -4,-3.9 -1,-0.2 -5,-0.2 -3,-0.2 -0.024 123.4 48.9-149.0 45.3 26.7 27.9 9.1 236 236 A N T <5S+ 0 0 24 -4,-0.8 -71,-2.3 1,-0.4 -3,-0.2 0.384 85.1 67.9-138.9 -75.5 24.9 24.6 8.7 237 237 A I B < +I 164 0E 5 -5,-2.7 -1,-0.4 -73,-0.2 -73,-0.2 -0.285 51.0 178.2 -56.9 138.0 26.9 21.4 8.9 238 238 A Q + 0 0 55 -75,-2.6 2,-0.3 1,-0.3 -74,-0.1 0.507 59.4 38.9-121.0 -15.4 28.2 20.9 12.4 239 239 A L - 0 0 4 -76,-0.7 2,-0.5 -205,-0.1 -1,-0.3 -0.994 65.1-145.9-140.5 147.5 30.1 17.6 12.3 240 240 A L B -g 36 0C 0 -205,-2.0 -203,-3.1 -2,-0.3 2,-0.4 -0.958 14.3-133.7-120.5 129.0 32.4 16.0 9.8 241 241 A L - 0 0 6 -2,-0.5 -173,-0.1 -49,-0.4 -203,-0.1 -0.650 37.3-112.2 -75.4 124.7 32.6 12.3 9.1 242 242 A N > - 0 0 14 -175,-0.5 3,-2.1 -2,-0.4 -45,-0.1 -0.361 16.6-129.3 -60.1 135.8 36.4 11.4 8.9 243 243 A T G > S+ 0 0 52 1,-0.3 3,-2.1 2,-0.2 -1,-0.2 0.736 104.8 76.6 -59.2 -22.3 37.4 10.5 5.3 244 244 A K G 3 S+ 0 0 160 1,-0.3 -1,-0.3 2,-0.2 -2,-0.1 0.850 97.4 46.7 -55.7 -34.0 39.0 7.4 6.9 245 245 A N G < 0 0 68 -3,-2.1 -1,-0.3 -178,-0.1 -2,-0.2 0.155 360.0 360.0 -95.6 17.8 35.4 6.1 7.2 246 246 A I < 0 0 105 -3,-2.1 -2,-0.2 -5,-0.0 -3,-0.1 0.833 360.0 360.0-113.6 360.0 34.2 6.9 3.6