==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 19-MAY-10 3N31 . COMPND 2 MOLECULE: RIBOSOME INACTIVATING PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: MOMORDICA BALSAMINA; . AUTHOR G.S.KUSHWAHA,N.PANDEY,M.PERBANDT,C.BETZEL,M.SINHA,P.KAUR,S.S . 246 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11109.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 182 74.0 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 . 38 15.4 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 . 21 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 74 30.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 2.4 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 0 1 0 1 1 0 1 0 0 1 0 0 0 0 0 2 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 0 0 2 1 1 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 . 1 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 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 0 131 0, 0.0 2,-0.3 0, 0.0 49,-0.2 0.000 360.0 360.0 360.0 166.1 25.6 10.5 28.1 2 2 A V E -a 50 0A 10 47,-2.2 49,-3.5 2,-0.0 2,-0.4 -0.935 360.0-160.0-128.7 152.5 22.9 12.9 26.9 3 3 A S E -a 51 0A 42 -2,-0.3 2,-0.3 47,-0.2 49,-0.2 -0.978 8.9-176.1-133.1 143.5 19.3 13.1 27.9 4 4 A F E -a 52 0A 8 47,-2.5 49,-2.7 -2,-0.4 2,-0.4 -0.952 9.4-158.8-141.6 133.3 16.1 14.6 26.3 5 5 A R E -a 53 0A 134 -2,-0.3 49,-0.2 47,-0.2 50,-0.1 -0.873 12.2-161.1-112.6 129.7 12.7 14.7 27.9 6 6 A L S > S+ 0 0 15 47,-2.5 3,-1.7 -2,-0.4 2,-0.6 0.767 71.4 93.0 -76.3 -28.8 9.5 15.2 25.9 7 7 A S T 3 S- 0 0 68 47,-0.5 -2,-0.1 1,-0.3 3,-0.1 -0.588 108.3 -0.8 -68.4 117.9 7.6 16.3 29.0 8 8 A G T 3 S+ 0 0 70 -2,-0.6 -1,-0.3 1,-0.3 5,-0.2 0.562 98.5 155.8 81.7 5.1 7.8 20.1 29.1 9 9 A A < + 0 0 14 -3,-1.7 -1,-0.3 4,-0.1 -3,-0.1 -0.400 11.3 164.3 -70.0 150.7 9.9 20.1 25.9 10 10 A D > - 0 0 61 -3,-0.1 4,-2.4 -2,-0.1 5,-0.3 -0.831 56.1 -79.2-151.8 176.2 9.9 23.1 23.8 11 11 A P H > S+ 0 0 45 0, 0.0 4,-2.3 0, 0.0 5,-0.1 0.886 128.1 50.9 -54.9 -36.1 12.1 24.5 20.9 12 12 A S H > S+ 0 0 72 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.972 110.6 43.4 -61.9 -60.8 14.7 25.7 23.5 13 13 A S H > S+ 0 0 29 1,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.878 115.4 52.3 -62.9 -30.7 15.1 22.4 25.6 14 14 A Y H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 -1,-0.3 0.959 107.5 50.7 -65.8 -46.5 15.2 20.5 22.3 15 15 A G H X S+ 0 0 10 -4,-2.3 4,-2.5 -5,-0.3 -2,-0.2 0.903 110.0 51.3 -56.3 -41.5 18.0 22.9 21.0 16 16 A M H X S+ 0 0 101 -4,-2.5 4,-2.8 2,-0.2 -1,-0.2 0.906 108.4 51.6 -63.3 -38.2 19.9 22.2 24.2 17 17 A F H X S+ 0 0 4 -4,-2.3 4,-2.9 -5,-0.2 -2,-0.2 0.944 112.0 44.8 -65.4 -42.8 19.6 18.5 23.7 18 18 A I H X S+ 0 0 0 -4,-2.5 4,-3.0 2,-0.2 -2,-0.2 0.900 112.4 52.3 -71.8 -36.2 20.9 18.7 20.1 19 19 A K H X S+ 0 0 125 -4,-2.5 4,-2.5 -5,-0.2 -1,-0.2 0.948 112.5 45.7 -53.3 -56.2 23.7 21.0 21.3 20 20 A D H X S+ 0 0 76 -4,-2.8 4,-0.7 2,-0.2 -2,-0.2 0.850 110.8 53.4 -54.3 -43.3 24.5 18.4 24.0 21 21 A L H >X S+ 0 0 1 -4,-2.9 3,-1.1 -5,-0.2 4,-0.6 0.967 112.0 44.9 -60.0 -50.5 24.3 15.6 21.4 22 22 A R H >< S+ 0 0 34 -4,-3.0 3,-1.2 1,-0.2 -2,-0.2 0.922 112.4 51.3 -57.0 -39.4 26.8 17.5 19.1 23 23 A N H 3< S+ 0 0 111 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.591 101.5 62.7 -81.4 -7.2 29.1 18.3 22.0 24 24 A A H << S+ 0 0 36 -3,-1.1 -1,-0.3 -4,-0.7 -2,-0.2 0.614 83.1 89.9 -91.6 -13.9 29.2 14.6 23.1 25 25 A L S << S- 0 0 5 -3,-1.2 2,-0.1 -4,-0.6 42,-0.1 -0.709 80.4-130.5 -84.4 118.5 30.8 13.5 19.8 26 26 A P + 0 0 54 0, 0.0 12,-0.9 0, 0.0 2,-0.3 -0.441 32.6 167.3 -78.3 148.8 34.6 13.7 20.2 27 27 A H E -F 37 0B 76 10,-0.2 10,-0.1 -2,-0.1 3,-0.1 -0.960 28.0-167.6-149.3 148.2 36.8 15.4 17.6 28 28 A T E S+ 0 0 127 8,-0.5 2,-0.3 -2,-0.3 9,-0.1 0.569 79.9 42.8-105.1 -20.8 40.5 16.4 17.7 29 29 A E E -F 36 0B 91 7,-0.6 7,-3.2 2,-0.0 2,-0.4 -0.858 61.2-151.3-130.3 154.4 40.2 18.6 14.5 30 30 A K E -F 35 0B 116 -2,-0.3 2,-0.6 5,-0.3 3,-0.1 -0.982 13.1-156.0-123.0 130.8 37.8 21.2 12.9 31 31 A V E > S-F 34 0B 0 3,-2.3 3,-0.6 -2,-0.4 169,-0.1 -0.976 84.3 -13.1-115.6 117.3 37.8 21.4 9.2 32 32 A Y T 3 S- 0 0 83 -2,-0.6 -1,-0.2 1,-0.2 168,-0.0 0.876 131.5 -56.3 49.1 44.3 36.6 24.8 8.1 33 33 A N T 3 S+ 0 0 132 1,-0.2 -1,-0.2 -3,-0.1 -3,-0.0 0.761 114.1 118.0 66.9 23.7 35.4 25.4 11.7 34 34 A I E < S-F 31 0B 8 -3,-0.6 -3,-2.3 205,-0.0 -1,-0.2 -0.989 75.6-105.0-118.2 127.5 33.2 22.2 11.7 35 35 A P E -F 30 0B 27 0, 0.0 205,-2.0 0, 0.0 2,-0.6 -0.220 33.1-140.9 -48.9 124.3 34.0 19.4 14.2 36 36 A L E -Fg 29 240B 15 -7,-3.2 -7,-0.6 203,-0.2 -8,-0.5 -0.840 17.2-126.5 -94.8 118.9 35.6 16.5 12.3 37 37 A L E -F 27 0B 1 203,-2.8 -10,-0.2 -2,-0.6 30,-0.1 -0.394 31.3-101.5 -65.7 141.7 34.4 13.2 13.5 38 38 A L - 0 0 33 -12,-0.9 204,-0.3 28,-0.2 -1,-0.1 -0.183 19.3-126.7 -59.8 145.1 37.2 10.7 14.5 39 39 A P S S- 0 0 38 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.911 85.4 -15.4 -60.0 -41.7 38.1 7.9 12.1 40 40 A S - 0 0 72 26,-0.0 2,-0.3 2,-0.0 205,-0.0 -0.981 47.9-159.5-158.4 163.0 37.6 5.3 14.9 41 41 A V - 0 0 28 -2,-0.3 2,-0.2 -3,-0.1 5,-0.1 -0.933 28.0-136.2-146.9 124.4 37.2 4.8 18.6 42 42 A S > - 0 0 112 -2,-0.3 3,-0.7 3,-0.1 4,-0.1 -0.617 57.6 -11.1 -91.7 145.6 37.9 1.2 20.0 43 43 A G G > S- 0 0 21 -2,-0.2 3,-1.4 1,-0.2 51,-0.1 -0.253 118.5 -19.2 71.6-147.0 35.7 -0.6 22.5 44 44 A A G > S+ 0 0 56 1,-0.3 3,-1.4 2,-0.1 -1,-0.2 0.657 120.9 73.2 -80.5 -14.7 32.9 0.9 24.5 45 45 A G G < S+ 0 0 56 -3,-0.7 -1,-0.3 1,-0.3 -2,-0.1 0.602 81.4 76.2 -72.3 -12.5 33.9 4.6 24.1 46 46 A R G < S+ 0 0 45 -3,-1.4 20,-3.1 -5,-0.1 2,-0.6 0.586 86.0 74.1 -67.2 -13.4 32.7 4.4 20.6 47 47 A Y E < - B 0 65A 17 -3,-1.4 2,-0.4 18,-0.2 18,-0.2 -0.930 63.5-156.9-123.5 119.1 29.1 4.6 21.7 48 48 A L E - B 0 64A 12 16,-3.3 16,-3.6 -2,-0.6 2,-0.6 -0.738 15.9-141.6 -84.9 135.4 27.2 7.5 23.0 49 49 A L E - B 0 63A 40 -2,-0.4 -47,-2.2 14,-0.2 2,-0.6 -0.909 13.2-165.6 -95.0 121.2 24.1 6.7 25.1 50 50 A M E -aB 2 62A 0 12,-2.7 12,-2.7 -2,-0.6 2,-0.8 -0.915 8.5-152.3-106.9 120.8 21.1 9.0 24.6 51 51 A H E -aB 3 61A 40 -49,-3.5 -47,-2.5 -2,-0.6 2,-0.4 -0.847 17.4-171.3 -92.9 113.2 18.5 8.8 27.3 52 52 A L E -aB 4 60A 0 8,-2.9 8,-1.9 -2,-0.8 2,-0.5 -0.887 5.3-164.1-110.2 134.0 15.1 9.6 25.8 53 53 A F E -aB 5 59A 45 -49,-2.7 -47,-2.5 -2,-0.4 6,-0.3 -0.948 10.6-141.8-123.5 128.7 12.0 10.1 27.8 54 54 A N > - 0 0 4 4,-3.2 3,-2.2 -2,-0.5 -47,-0.5 -0.271 42.3 -89.2 -74.0 177.1 8.5 10.2 26.4 55 55 A Y T 3 S+ 0 0 138 1,-0.3 -1,-0.1 -49,-0.2 79,-0.0 0.823 129.3 54.2 -55.7 -36.6 6.0 12.5 27.7 56 56 A D T 3 S- 0 0 129 2,-0.1 -1,-0.3 1,-0.1 3,-0.1 0.588 120.9-107.0 -71.7 -9.5 4.9 9.9 30.3 57 57 A G S < S+ 0 0 39 -3,-2.2 2,-0.1 1,-0.4 -2,-0.1 0.495 73.9 141.4 92.0 2.2 8.5 9.6 31.6 58 58 A N - 0 0 82 -5,-0.1 -4,-3.2 1,-0.0 -1,-0.4 -0.535 36.7-155.7 -74.9 152.6 9.0 6.2 30.0 59 59 A T E -B 53 0A 51 -6,-0.3 18,-0.6 -2,-0.1 2,-0.3 -0.940 27.0-170.5-139.0 149.9 12.5 5.9 28.6 60 60 A I E -BC 52 76A 0 -8,-1.9 -8,-2.9 -2,-0.3 2,-0.5 -0.938 20.6-138.8-126.9 156.2 14.7 4.2 26.1 61 61 A T E -BC 51 75A 19 14,-2.0 14,-2.7 -2,-0.3 2,-0.4 -0.986 19.3-158.4-114.5 126.4 18.5 4.5 25.9 62 62 A V E -BC 50 74A 0 -12,-2.7 -12,-2.7 -2,-0.5 2,-0.6 -0.864 8.1-141.3-106.9 138.5 19.8 4.8 22.3 63 63 A A E -BC 49 73A 0 10,-3.0 9,-2.9 -2,-0.4 10,-1.0 -0.882 18.9-170.3-105.5 126.6 23.3 3.8 21.4 64 64 A V E -BC 48 71A 1 -16,-3.6 -16,-3.3 -2,-0.6 2,-0.6 -0.962 26.3-126.1-118.5 128.3 25.0 6.1 18.9 65 65 A D E >>> -BC 47 70A 3 5,-2.8 4,-2.1 -2,-0.4 3,-1.5 -0.622 21.7-148.8 -71.2 113.2 28.4 5.4 17.2 66 66 A V T 345S+ 0 0 5 -20,-3.1 -28,-0.2 -2,-0.6 -1,-0.2 0.672 90.5 62.2 -60.6 -16.3 30.3 8.6 18.0 67 67 A T T 345S+ 0 0 0 -21,-0.4 175,-0.5 1,-0.1 -1,-0.3 0.681 125.1 9.3 -86.3 -18.6 32.3 8.4 14.7 68 68 A N T <45S- 0 0 35 -3,-1.5 -2,-0.2 2,-0.1 -1,-0.1 0.357 93.4-116.7-139.4 3.1 29.2 8.6 12.4 69 69 A V T <5 + 0 0 1 -4,-2.1 2,-0.6 1,-0.2 -3,-0.2 0.756 61.3 157.2 61.5 30.0 26.2 9.5 14.5 70 70 A Y E < -C 65 0A 51 -5,-0.9 -5,-2.8 89,-0.0 2,-0.3 -0.754 43.7-131.6 -93.5 122.4 24.8 6.2 13.5 71 71 A I E -C 64 0A 5 -2,-0.6 -7,-0.2 -7,-0.2 3,-0.1 -0.575 25.1-179.3 -71.3 125.2 22.2 4.7 15.8 72 72 A M E - 0 0 2 -9,-2.9 11,-2.3 1,-0.4 2,-0.3 0.773 56.2 -55.4 -99.6 -37.2 23.2 1.1 16.4 73 73 A G E -CD 63 82A 0 -10,-1.0 -10,-3.0 9,-0.3 -1,-0.4 -0.951 50.0-125.8 178.2-166.8 20.3 0.0 18.7 74 74 A Y E -CD 62 81A 2 7,-2.3 7,-2.7 -12,-0.3 2,-0.4 -0.944 12.4-122.9-155.9 167.3 18.5 0.9 22.0 75 75 A L E -CD 61 80A 31 -14,-2.7 -14,-2.0 -2,-0.3 2,-0.5 -0.986 19.4-174.9-123.8 131.7 17.5 -0.5 25.3 76 76 A A E > -CD 60 79A 2 3,-3.3 3,-2.3 -2,-0.4 2,-0.2 -0.972 65.1 -50.4-130.6 112.2 13.9 -0.4 26.4 77 77 A L T 3 S- 0 0 145 -18,-0.6 -16,-0.1 -2,-0.5 63,-0.0 -0.396 123.1 -20.4 58.5-119.3 13.4 -1.7 29.9 78 78 A T T 3 S+ 0 0 40 -2,-0.2 23,-1.4 21,-0.1 22,-1.3 0.253 121.6 86.9-109.2 11.7 15.2 -5.0 30.0 79 79 A T E < -De 76 101A 10 -3,-2.3 -3,-3.3 21,-0.2 2,-0.3 -0.966 59.4-155.8-113.6 135.1 15.3 -5.7 26.3 80 80 A S E -De 75 102A 3 21,-2.2 23,-3.0 -2,-0.5 2,-0.4 -0.712 6.3-163.2-101.2 152.2 17.9 -4.5 23.9 81 81 A Y E -De 74 103A 4 -7,-2.7 -7,-2.3 -2,-0.3 2,-0.4 -1.000 8.7-179.9-136.3 135.8 17.3 -4.1 20.3 82 82 A F E -De 73 104A 3 21,-1.7 23,-2.4 -2,-0.4 -9,-0.3 -0.986 32.1-104.3-137.5 144.2 20.0 -3.8 17.6 83 83 A F - 0 0 4 -11,-2.3 2,-1.9 -2,-0.4 25,-0.3 -0.246 39.2-106.7 -60.0 156.3 19.9 -3.3 13.8 84 84 A N S S+ 0 0 81 23,-3.6 -1,-0.1 21,-0.1 24,-0.1 -0.546 84.6 100.7 -89.8 77.2 20.6 -6.3 11.7 85 85 A E S > S- 0 0 37 -2,-1.9 4,-3.1 22,-0.1 3,-0.4 -0.980 81.0-110.6-157.5 153.0 24.1 -5.2 10.6 86 86 A P H > S+ 0 0 113 0, 0.0 4,-4.3 0, 0.0 5,-0.3 0.939 115.8 53.7 -60.2 -45.3 27.7 -5.9 11.5 87 87 A A H > S+ 0 0 42 1,-0.2 4,-2.6 2,-0.2 5,-0.1 0.882 113.6 43.4 -51.1 -40.8 28.4 -2.5 13.1 88 88 A A H > S+ 0 0 0 -3,-0.4 4,-2.0 2,-0.2 -1,-0.2 0.895 112.6 51.9 -76.6 -38.6 25.3 -3.0 15.3 89 89 A D H < S+ 0 0 91 -4,-3.1 4,-0.3 2,-0.2 -2,-0.2 0.922 111.1 48.3 -58.9 -43.9 26.2 -6.5 16.1 90 90 A L H >< S+ 0 0 70 -4,-4.3 3,-1.9 -5,-0.2 4,-0.4 0.933 108.9 54.8 -59.8 -45.1 29.7 -5.2 17.0 91 91 A A H >X S+ 0 0 0 -4,-2.6 4,-2.3 -5,-0.3 3,-2.0 0.842 96.0 65.5 -56.9 -34.2 27.9 -2.5 19.2 92 92 A S T 3< S+ 0 0 9 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.575 90.2 66.3 -69.4 -6.4 26.0 -5.2 21.1 93 93 A Q T <4 S+ 0 0 103 -3,-1.9 -1,-0.3 -4,-0.3 -2,-0.2 0.681 114.6 28.8 -76.4 -21.0 29.3 -6.4 22.5 94 94 A Y T <4 S+ 0 0 93 -3,-2.0 2,-0.4 -4,-0.4 3,-0.3 0.731 111.8 55.1-112.3 -34.7 29.6 -3.1 24.3 95 95 A V S < S+ 0 0 11 -4,-2.3 -1,-0.1 1,-0.2 -21,-0.1 -0.832 106.2 5.3-113.3 146.6 26.3 -1.6 25.2 96 96 A F > + 0 0 21 -2,-0.4 3,-1.6 1,-0.1 -1,-0.2 0.790 69.4 146.6 67.8 27.5 23.2 -2.8 27.1 97 97 A R T 3 + 0 0 182 -3,-0.3 -1,-0.1 1,-0.3 -2,-0.1 0.766 66.3 67.0 -67.0 -23.0 24.9 -6.1 28.1 98 98 A S T 3 S+ 0 0 112 2,-0.0 -1,-0.3 3,-0.0 -2,-0.1 0.648 77.2 116.7 -70.3 -12.8 22.8 -5.9 31.3 99 99 A A S < S- 0 0 19 -3,-1.6 -20,-0.2 1,-0.1 -21,-0.1 -0.268 70.6-132.0 -59.2 139.1 19.6 -6.5 29.2 100 100 A R S S+ 0 0 214 -22,-1.3 2,-0.3 1,-0.1 -21,-0.2 0.869 86.6 1.6 -59.0 -38.8 17.7 -9.6 30.0 101 101 A R E -e 79 0A 143 -23,-1.4 -21,-2.2 2,-0.0 2,-0.4 -0.948 66.7-138.1-146.7 170.1 17.4 -10.5 26.3 102 102 A K E -e 80 0A 98 -2,-0.3 2,-0.5 -23,-0.2 -21,-0.2 -0.998 11.6-165.1-138.2 126.7 18.5 -9.0 23.0 103 103 A I E -e 81 0A 33 -23,-3.0 -21,-1.7 -2,-0.4 2,-0.7 -0.975 12.2-146.4-115.4 131.1 16.5 -8.8 19.9 104 104 A T E -e 82 0A 66 -2,-0.5 -21,-0.2 -23,-0.2 -20,-0.1 -0.849 27.5-122.8 -93.9 119.3 18.0 -8.1 16.5 105 105 A L - 0 0 1 -23,-2.4 2,-1.7 -2,-0.7 -21,-0.1 -0.224 20.7-113.7 -58.2 148.9 15.6 -6.1 14.4 106 106 A P S S+ 0 0 66 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.323 93.4 44.2 -84.1 54.2 14.7 -7.6 11.1 107 107 A Y S S- 0 0 7 -2,-1.7 -23,-3.6 10,-0.0 -22,-0.1 -0.855 81.6-107.3-177.2 155.9 16.4 -4.9 9.2 108 108 A S - 0 0 6 -25,-0.3 -23,-0.1 -2,-0.3 -26,-0.0 -0.229 40.5-105.0 -72.0-180.0 19.6 -2.8 9.0 109 109 A G S S+ 0 0 5 -2,-0.1 -38,-0.1 4,-0.1 2,-0.1 0.455 78.4 115.8 -98.2 -2.3 19.7 0.8 10.0 110 110 A N S > S- 0 0 60 1,-0.1 4,-2.9 4,-0.0 5,-0.2 -0.355 74.5-116.5 -76.2 154.8 19.9 2.3 6.6 111 111 A Y H > S+ 0 0 37 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.835 111.8 52.9 -56.4 -40.9 17.1 4.5 5.3 112 112 A E H > S+ 0 0 133 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.958 112.6 42.5 -62.6 -51.4 16.2 2.2 2.4 113 113 A R H > S+ 0 0 99 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.903 115.0 51.1 -62.5 -41.1 15.8 -1.0 4.6 114 114 A L H X S+ 0 0 0 -4,-2.9 4,-3.0 2,-0.2 -1,-0.2 0.901 111.2 48.5 -59.4 -42.6 13.9 1.1 7.3 115 115 A Q H X>S+ 0 0 39 -4,-2.4 4,-1.8 -5,-0.2 5,-0.9 0.888 111.3 48.3 -65.8 -45.5 11.5 2.5 4.6 116 116 A I H <5S+ 0 0 126 -4,-2.3 -2,-0.2 2,-0.2 -1,-0.2 0.939 115.5 46.8 -57.3 -46.2 10.8 -1.0 3.1 117 117 A A H <5S+ 0 0 29 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.914 114.5 45.7 -63.8 -44.5 10.2 -2.2 6.6 118 118 A A H <5S- 0 0 20 -4,-3.0 -1,-0.2 2,-0.2 -2,-0.2 0.748 102.8-131.5 -73.1 -22.5 7.9 0.7 7.5 119 119 A G T <5S+ 0 0 69 -4,-1.8 -3,-0.2 1,-0.2 -4,-0.1 0.483 79.7 79.1 84.1 2.3 6.0 0.5 4.2 120 120 A K S - 0 0 50 0, 0.0 3,-1.8 0, 0.0 4,-0.2 -0.472 36.2-113.3 -72.0 155.6 9.2 6.5 2.4 122 122 A R G > S+ 0 0 8 1,-0.3 3,-1.6 2,-0.2 64,-0.0 0.801 113.4 75.1 -70.8 -13.7 10.3 9.0 5.0 123 123 A E G 3 S+ 0 0 91 1,-0.3 -1,-0.3 57,-0.1 57,-0.1 0.810 100.4 44.6 -49.4 -36.4 8.9 11.7 2.7 124 124 A K G < S+ 0 0 136 -3,-1.8 -1,-0.3 56,-0.1 -2,-0.2 0.358 94.6 92.8 -99.5 14.4 5.5 10.6 3.8 125 125 A I S < S- 0 0 13 -3,-1.6 54,-0.1 -4,-0.2 -1,-0.0 -0.882 72.0-133.2-113.4 111.7 6.3 10.3 7.6 126 126 A P - 0 0 61 0, 0.0 54,-0.3 0, 0.0 2,-0.3 -0.274 26.7-171.5 -61.0 148.5 5.6 13.3 9.7 127 127 A I B +H 179 0C 0 52,-2.4 52,-3.0 50,-0.1 2,-0.3 -0.888 27.6 103.5-130.9 172.0 8.4 14.2 12.2 128 128 A G S > S- 0 0 0 -2,-0.3 4,-1.5 50,-0.2 47,-0.2 -0.861 82.3 -60.1 146.2-176.0 8.6 16.7 15.0 129 129 A L H > S+ 0 0 5 45,-2.0 4,-2.7 42,-0.5 5,-0.2 0.909 131.7 51.7 -67.5 -46.6 8.6 16.5 18.9 130 130 A P H > S+ 0 0 46 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.965 112.8 49.1 -59.4 -42.1 5.1 14.9 19.2 131 131 A A H > S+ 0 0 7 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.828 107.4 51.8 -60.4 -38.6 6.4 12.3 16.7 132 132 A L H X S+ 0 0 0 -4,-1.5 4,-2.9 2,-0.2 5,-0.3 0.933 108.9 53.8 -62.3 -43.3 9.6 11.7 18.6 133 133 A D H X S+ 0 0 39 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.952 110.3 45.4 -53.3 -49.0 7.3 11.2 21.6 134 134 A T H X S+ 0 0 83 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.899 112.7 52.8 -54.2 -43.9 5.3 8.5 19.7 135 135 A A H X S+ 0 0 2 -4,-2.4 4,-2.2 1,-0.3 -2,-0.2 0.921 107.7 48.1 -67.3 -48.2 8.5 6.9 18.5 136 136 A I H X S+ 0 0 0 -4,-2.9 4,-0.9 1,-0.2 -1,-0.3 0.916 113.5 50.5 -55.4 -46.0 10.0 6.6 21.9 137 137 A S H < S+ 0 0 41 -4,-2.3 3,-0.5 -5,-0.3 4,-0.4 0.888 110.2 48.4 -59.7 -45.2 6.6 5.0 23.0 138 138 A T H >< S+ 0 0 41 -4,-2.5 3,-1.2 1,-0.2 -1,-0.2 0.870 106.6 56.1 -60.2 -39.1 6.5 2.6 20.1 139 139 A L H 3< S+ 0 0 1 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.726 90.7 75.1 -74.5 -19.0 10.1 1.4 20.8 140 140 A L T 3< S+ 0 0 23 -4,-0.9 2,-0.4 -3,-0.5 -1,-0.3 0.809 102.3 39.2 -62.2 -31.3 9.2 0.5 24.4 141 141 A H S < S- 0 0 144 -3,-1.2 -1,-0.2 -4,-0.4 6,-0.0 -0.984 99.7-107.7-128.8 126.2 7.3 -2.6 23.2 142 142 A Y + 0 0 99 -2,-0.4 2,-0.2 -3,-0.1 -3,-0.1 -0.190 54.2 143.2 -60.1 127.7 8.7 -4.7 20.3 143 143 A D > - 0 0 85 1,-0.1 4,-3.0 -5,-0.1 5,-0.2 -0.752 32.7-158.7-158.2 111.0 6.8 -4.4 17.1 144 144 A S H > S+ 0 0 33 1,-0.2 4,-1.4 -2,-0.2 -1,-0.1 0.871 88.3 46.9 -73.5 -38.1 9.2 -4.6 14.2 145 145 A T H > S+ 0 0 90 2,-0.2 4,-1.0 1,-0.2 -1,-0.2 0.917 117.9 41.6 -64.3 -48.7 7.0 -2.9 11.5 146 146 A A H > S+ 0 0 39 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.840 111.5 57.1 -65.3 -38.6 5.9 -0.0 13.8 147 147 A A H X S+ 0 0 1 -4,-3.0 4,-3.1 2,-0.2 -1,-0.2 0.831 97.8 61.1 -64.0 -29.2 9.5 0.3 15.1 148 148 A A H X S+ 0 0 0 -4,-1.4 4,-2.2 2,-0.2 -1,-0.2 0.958 109.6 42.3 -65.4 -44.3 10.9 0.9 11.6 149 149 A G H X S+ 0 0 18 -4,-1.0 4,-2.4 2,-0.2 5,-0.2 0.925 114.5 50.9 -61.2 -47.5 8.6 4.0 11.3 150 150 A A H X S+ 0 0 6 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.886 110.0 50.8 -61.5 -39.1 9.6 5.0 14.9 151 151 A L H X S+ 0 0 0 -4,-3.1 4,-3.8 2,-0.2 5,-0.2 0.879 107.3 51.9 -66.5 -37.3 13.3 4.6 14.0 152 152 A L H X S+ 0 0 0 -4,-2.2 4,-1.8 1,-0.2 -2,-0.2 0.943 113.6 45.3 -63.1 -44.6 13.0 6.8 10.9 153 153 A V H X S+ 0 0 10 -4,-2.4 4,-1.8 2,-0.2 -1,-0.2 0.890 115.2 47.7 -62.6 -41.2 11.4 9.4 13.1 154 154 A L H X S+ 0 0 0 -4,-2.0 4,-1.6 -5,-0.2 5,-0.4 0.950 109.5 51.9 -74.1 -42.3 14.1 8.9 15.8 155 155 A I H X>S+ 0 0 16 -4,-3.8 5,-2.3 1,-0.2 4,-0.7 0.887 113.8 45.1 -53.4 -40.0 17.0 9.0 13.3 156 156 A Q H <>S+ 0 0 0 -4,-1.8 5,-0.6 -5,-0.2 -1,-0.2 0.854 112.4 49.1 -81.3 -28.9 15.8 12.3 11.9 157 157 A T H <5S+ 0 0 0 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.735 127.3 18.3 -83.6 -25.5 15.0 14.0 15.1 158 158 A T H X5S+ 0 0 0 -4,-1.6 4,-1.4 -5,-0.1 -3,-0.2 0.831 131.2 29.9-113.5 -58.2 18.3 13.3 16.9 159 159 A A H X5S+ 0 0 2 -4,-0.7 4,-2.1 -5,-0.4 -3,-0.2 0.898 123.9 43.3 -68.5 -50.8 21.2 12.3 14.5 160 160 A E H > S+ 0 0 76 71,-3.6 4,-2.5 -2,-0.4 5,-0.2 0.844 100.1 60.0 -58.6 -36.8 21.4 23.1 11.9 166 166 A Y H > S+ 0 0 42 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.901 106.8 45.5 -61.0 -40.7 18.6 23.3 9.2 167 167 A I H > S+ 0 0 0 -3,-0.3 4,-2.2 -7,-0.3 -6,-0.2 0.928 109.8 54.3 -75.7 -33.4 17.1 20.0 10.3 168 168 A E H X S+ 0 0 20 -4,-2.1 4,-2.3 -7,-0.5 -1,-0.2 0.941 111.1 46.9 -60.4 -41.1 17.4 20.9 14.0 169 169 A Q H X S+ 0 0 87 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.928 106.3 57.7 -69.6 -44.3 15.4 24.1 13.1 170 170 A Q H X S+ 0 0 14 -4,-2.9 4,-0.6 2,-0.2 -1,-0.2 0.907 111.1 43.6 -42.8 -42.2 12.9 22.0 11.0 171 171 A I H >< S+ 0 0 0 -4,-2.2 3,-0.9 1,-0.2 -42,-0.5 0.887 108.7 56.1 -78.5 -38.7 12.1 20.0 14.2 172 172 A Q H >< S+ 0 0 49 -4,-2.3 3,-1.0 1,-0.3 -1,-0.2 0.864 106.4 51.5 -59.3 -36.9 12.0 23.0 16.4 173 173 A E H 3< S+ 0 0 149 -4,-2.3 3,-0.4 1,-0.3 -1,-0.3 0.754 109.5 52.2 -66.4 -25.8 9.3 24.3 14.1 174 174 A R T << S+ 0 0 6 -3,-0.9 -45,-2.0 -4,-0.6 -1,-0.3 -0.132 72.5 122.9-106.1 37.7 7.5 21.0 14.6 175 175 A A S < S+ 0 0 6 -3,-1.0 -1,-0.2 1,-0.2 3,-0.1 0.778 90.9 12.2 -69.5 -30.8 7.7 21.2 18.3 176 176 A Y S S+ 0 0 159 -3,-0.4 2,-0.3 1,-0.3 -1,-0.2 0.324 132.0 46.1-131.2 0.9 3.9 20.9 18.8 177 177 A R S S- 0 0 181 -4,-0.1 -1,-0.3 -50,-0.0 -48,-0.1 -0.910 75.1-137.4-148.6 121.2 2.8 19.8 15.3 178 178 A D + 0 0 49 -2,-0.3 2,-0.3 -50,-0.1 -50,-0.2 -0.364 24.3 177.0 -70.6 154.0 4.5 17.1 13.2 179 179 A E B -H 127 0C 88 -52,-3.0 -52,-2.4 -54,-0.1 3,-0.1 -0.972 38.1 -98.2-157.3 143.1 5.0 17.6 9.6 180 180 A V - 0 0 56 -2,-0.3 -57,-0.1 -54,-0.3 -56,-0.1 -0.263 56.7 -94.2 -52.0 150.7 6.7 15.5 7.0 181 181 A P - 0 0 9 0, 0.0 -1,-0.1 0, 0.0 -56,-0.1 -0.411 41.7-106.7 -68.3 147.0 10.3 16.7 6.4 182 182 A S > - 0 0 27 1,-0.1 4,-2.0 -3,-0.1 5,-0.2 -0.227 28.8-111.1 -61.8 158.5 10.9 19.3 3.6 183 183 A S H > S+ 0 0 67 2,-0.2 4,-3.0 1,-0.2 33,-0.2 0.814 122.1 60.4 -61.0 -27.2 12.6 18.0 0.5 184 184 A A H > S+ 0 0 5 2,-0.2 4,-2.7 1,-0.2 32,-0.2 0.948 103.2 50.6 -66.2 -47.3 15.6 20.1 1.5 185 185 A T H > S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.924 111.8 46.9 -52.4 -47.9 15.7 18.0 4.8 186 186 A I H X S+ 0 0 9 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.931 111.0 52.5 -61.1 -43.5 15.7 14.8 2.7 187 187 A S H X S+ 0 0 15 -4,-3.0 4,-0.7 1,-0.2 -2,-0.2 0.937 110.8 47.4 -60.3 -43.9 18.3 16.2 0.4 188 188 A L H >X S+ 0 0 7 -4,-2.7 4,-0.8 1,-0.2 3,-0.7 0.906 110.5 50.8 -65.3 -43.9 20.6 17.0 3.5 189 189 A E H >< S+ 0 0 11 -4,-2.5 3,-0.6 1,-0.3 4,-0.3 0.911 114.3 44.4 -58.0 -44.8 20.2 13.6 5.1 190 190 A N H 3< S+ 0 0 100 -4,-2.2 4,-0.3 1,-0.2 -1,-0.3 0.562 114.8 50.1 -72.6 -16.9 21.1 11.9 1.9 191 191 A S H S+ 0 0 54 -4,-0.3 4,-2.7 1,-0.2 -1,-0.2 0.926 116.9 51.6 -48.1 -56.2 28.6 11.7 3.5 194 194 A G H > S+ 0 0 32 -4,-0.3 4,-2.5 2,-0.2 -2,-0.2 0.888 114.5 40.6 -44.7 -55.9 28.9 13.5 0.3 195 195 A L H X S+ 0 0 0 -4,-3.3 4,-2.8 2,-0.2 5,-0.3 0.888 112.3 55.7 -65.8 -47.1 29.3 16.9 1.9 196 196 A S H X S+ 0 0 0 -4,-3.2 4,-1.6 -5,-0.3 -2,-0.2 0.909 111.4 45.2 -48.9 -46.7 31.4 15.6 4.6 197 197 A K H X S+ 0 0 84 -4,-2.7 4,-2.7 -5,-0.2 -2,-0.2 0.950 113.9 46.4 -63.2 -52.3 33.8 14.3 2.0 198 198 A Q H X S+ 0 0 17 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.827 109.2 55.8 -68.8 -30.9 33.9 17.4 -0.2 199 199 A I H X S+ 0 0 1 -4,-2.8 4,-0.7 2,-0.2 -1,-0.2 0.951 112.4 43.4 -60.5 -46.7 34.4 19.7 2.8 200 200 A Q H >< S+ 0 0 17 -4,-1.6 3,-1.0 -5,-0.3 -2,-0.2 0.918 113.2 49.7 -66.7 -43.6 37.4 17.6 3.7 201 201 A L H 3< S+ 0 0 53 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.886 98.9 69.0 -60.0 -40.6 38.7 17.5 0.1 202 202 A A H ><>S+ 0 0 0 -4,-2.4 3,-2.3 -5,-0.2 5,-2.2 0.797 81.2 82.3 -49.6 -34.1 38.3 21.3 -0.1 203 203 A Q T <<5S+ 0 0 86 -3,-1.0 -172,-0.0 -4,-0.7 -4,-0.0 -0.678 104.7 23.6 -72.0 116.7 41.2 21.6 2.4 204 204 A G T 3 5S+ 0 0 73 -2,-0.7 -1,-0.3 0, 0.0 -2,-0.2 0.270 116.3 68.2 105.8 -12.4 44.0 21.3 -0.1 205 205 A N T X 5S- 0 0 36 -3,-2.3 3,-1.4 -4,-0.2 -2,-0.2 -0.019 117.3 -98.7-130.6 28.6 41.9 22.4 -3.0 206 206 A N T 3 5S- 0 0 156 1,-0.3 -3,-0.2 21,-0.0 -4,-0.1 0.856 78.9 -55.4 61.3 40.5 41.5 26.1 -1.8 207 207 A G T 3 - 0 0 61 4,-1.9 3,-1.6 -2,-0.4 -33,-0.2 -0.420 28.2 -92.5 -95.9 176.0 16.9 24.2 -1.2 218 218 A S T 3 S+ 0 0 93 1,-0.3 -34,-0.2 2,-0.1 -35,-0.2 0.913 124.7 53.3 -47.7 -57.9 14.1 25.6 1.1 219 219 A K T 3 S- 0 0 211 1,-0.1 -1,-0.3 2,-0.1 -3,-0.0 0.588 122.6-105.7 -56.5 -16.0 12.0 27.0 -1.8 220 220 A G S < S+ 0 0 37 -3,-1.6 2,-0.3 1,-0.3 -2,-0.1 0.364 77.4 109.5 112.2 -6.9 12.1 23.6 -3.5 221 221 A N S S- 0 0 136 1,-0.1 -4,-1.9 -5,-0.0 -1,-0.3 -0.769 70.8 -90.1-111.6 154.1 14.6 23.6 -6.5 222 222 A R E -J 216 0E 142 -2,-0.3 2,-0.3 -6,-0.2 -6,-0.2 -0.080 40.5-172.9 -54.7 152.6 18.0 21.9 -7.1 223 223 A V E -J 215 0E 51 -8,-2.5 -8,-3.0 2,-0.0 2,-0.5 -0.981 18.5-133.8-150.7 141.1 21.1 23.9 -6.1 224 224 A Q E -J 214 0E 93 -2,-0.3 2,-0.5 -10,-0.2 -10,-0.2 -0.900 12.1-155.4-106.4 128.0 24.7 23.0 -6.7 225 225 A I E +J 213 0E 10 -12,-3.2 -12,-2.7 -2,-0.5 3,-0.1 -0.910 24.6 159.6-104.7 126.3 27.2 23.3 -3.8 226 226 A T E + 0 0 55 -2,-0.5 -17,-3.5 -14,-0.2 2,-0.2 0.554 55.3 16.1-127.0 -13.6 30.7 23.8 -5.1 227 227 A N E > S-J 208 0E 47 -19,-0.3 3,-0.8 -17,-0.0 -19,-0.2 -0.876 79.0 -94.6-155.8 179.6 32.9 25.3 -2.3 228 228 A V T 3 S+ 0 0 22 -21,-1.8 -20,-0.1 -2,-0.2 -21,-0.1 0.445 108.2 75.2 -88.3 -1.9 33.0 26.1 1.4 229 229 A T T 3 S+ 0 0 108 -22,-0.3 -1,-0.2 4,-0.1 5,-0.1 0.612 73.5 110.6 -80.0 -16.4 31.6 29.7 1.1 230 230 A S S X> S- 0 0 26 -3,-0.8 4,-2.3 1,-0.1 3,-1.2 -0.311 80.9-122.0 -58.1 139.2 28.2 28.1 0.6 231 231 A N H 3>>S+ 0 0 119 1,-0.3 4,-3.3 2,-0.2 5,-1.7 0.889 111.0 62.9 -48.7 -48.8 25.7 28.5 3.4 232 232 A V H 34>S+ 0 0 10 1,-0.2 5,-2.9 3,-0.2 -1,-0.3 0.859 113.7 36.7 -52.1 -32.3 25.3 24.8 3.9 233 233 A V H <45S+ 0 0 5 -3,-1.2 -2,-0.2 -6,-0.2 -1,-0.2 0.897 122.3 41.3 -82.1 -40.2 29.0 24.8 4.8 234 234 A T H <5S+ 0 0 82 -4,-2.3 -2,-0.2 1,-0.1 -3,-0.2 0.838 137.1 6.2 -80.8 -32.6 29.3 28.1 6.7 235 235 A S T <5S+ 0 0 49 -4,-3.3 -3,-0.2 -5,-0.2 -70,-0.2 0.717 124.3 47.1-123.0 -36.1 26.0 27.8 8.7 236 236 A N T - 0 0 11 -175,-0.5 3,-2.2 -2,-0.4 -45,-0.1 -0.416 14.8-129.6 -67.8 136.0 35.7 11.5 8.4 243 243 A T G > S+ 0 0 46 1,-0.3 3,-1.9 -47,-0.2 -1,-0.1 0.754 106.4 73.4 -63.8 -19.5 36.7 10.5 4.9 244 244 A K G 3 S+ 0 0 164 1,-0.3 -1,-0.3 2,-0.2 -206,-0.0 0.808 100.3 45.5 -60.5 -26.1 38.4 7.5 6.5 245 245 A N G < 0 0 63 -3,-2.2 -1,-0.3 -178,-0.1 -2,-0.2 0.062 360.0 360.0-101.2 24.6 34.8 6.2 6.9 246 246 A I < 0 0 98 -3,-1.9 -2,-0.2 -5,-0.0 -3,-0.1 0.577 360.0 360.0-126.5 360.0 33.5 7.1 3.3