==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER RIBOSOME-INACTIVATING PROTEIN 01-JUL-94 1MRH . COMPND 2 MOLECULE: ALPHA-MOMORCHARIN; . SOURCE 2 ORGANISM_SCIENTIFIC: MOMORDICA CHARANTIA; . AUTHOR Q.HUANG,S.LIU,Y.TANG,S.JIN,Y.WANG . 246 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11143.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 176 71.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 11 4.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 36 14.6 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 . 1 0.4 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 . 1 0.4 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 . 19 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 13.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 72 29.3 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 1 0 1 0 2 0 0 1 0 0 1 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 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 0 0 0 PARALLEL BRIDGES PER LADDER . 2 0 1 2 0 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 . 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 0 136 0, 0.0 2,-0.3 0, 0.0 49,-0.2 0.000 360.0 360.0 360.0 143.2 44.0 97.0 -23.8 2 2 A V E -a 50 0A 6 47,-1.2 49,-3.1 19,-0.0 2,-0.3 -0.776 360.0-167.2 -97.2 141.5 43.1 100.3 -22.3 3 3 A S E -a 51 0A 56 -2,-0.3 2,-0.3 47,-0.2 49,-0.2 -0.892 9.8-176.2-120.0 157.7 44.8 103.5 -23.4 4 4 A F E -a 52 0A 11 47,-1.7 49,-2.3 -2,-0.3 2,-0.4 -0.957 8.7-161.5-147.7 145.8 45.0 107.1 -22.1 5 5 A R E -a 53 0A 148 -2,-0.3 49,-0.2 47,-0.2 50,-0.1 -0.989 7.5-160.3-130.1 113.1 46.7 110.2 -23.6 6 6 A L > + 0 0 0 47,-2.4 3,-1.8 -2,-0.4 2,-1.0 0.721 69.0 99.4 -65.1 -25.0 47.4 113.1 -21.2 7 7 A S T 3 S- 0 0 79 47,-0.5 3,-0.1 1,-0.3 -2,-0.1 -0.537 104.9 -1.9 -64.1 105.0 47.6 115.4 -24.2 8 8 A G T 3 S+ 0 0 71 -2,-1.0 2,-0.7 1,-0.3 -1,-0.3 0.827 93.0 155.0 81.3 31.9 44.3 117.1 -24.3 9 9 A A < + 0 0 8 -3,-1.8 -1,-0.3 166,-0.1 120,-0.1 -0.853 14.3 175.3 -96.3 112.4 42.9 115.2 -21.3 10 10 A D > - 0 0 63 -2,-0.7 4,-1.3 -3,-0.1 3,-0.1 -0.426 52.1 -86.6 -96.7-176.3 40.2 117.0 -19.5 11 11 A P H > S+ 0 0 44 0, 0.0 4,-1.9 0, 0.0 5,-0.1 0.754 124.1 59.0 -64.9 -26.1 38.3 115.4 -16.6 12 12 A R H > S+ 0 0 193 2,-0.2 4,-2.5 1,-0.2 5,-0.1 0.917 105.6 46.1 -67.2 -46.9 35.7 113.7 -18.9 13 13 A S H > S+ 0 0 30 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.782 111.4 52.3 -73.8 -32.6 38.3 111.7 -20.9 14 14 A Y H X S+ 0 0 0 -4,-1.3 4,-3.5 2,-0.2 5,-0.3 0.980 109.4 49.0 -59.0 -60.4 40.1 110.6 -17.8 15 15 A G H X S+ 0 0 10 -4,-1.9 4,-2.8 1,-0.2 -2,-0.2 0.908 111.8 51.1 -44.0 -45.7 36.8 109.4 -16.3 16 16 A M H X S+ 0 0 99 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.915 109.7 47.7 -62.2 -42.3 36.1 107.6 -19.5 17 17 A F H X S+ 0 0 6 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.962 112.1 51.3 -61.3 -45.8 39.6 105.9 -19.4 18 18 A I H X S+ 0 0 0 -4,-3.5 4,-2.6 1,-0.2 -2,-0.2 0.910 107.6 51.9 -63.8 -32.7 38.9 104.9 -15.8 19 19 A K H X S+ 0 0 106 -4,-2.8 4,-2.2 -5,-0.3 -1,-0.2 0.926 109.9 50.0 -65.8 -44.4 35.5 103.5 -16.8 20 20 A D H X S+ 0 0 81 -4,-2.2 4,-1.2 2,-0.2 -1,-0.2 0.884 109.1 51.2 -51.3 -53.3 37.2 101.4 -19.5 21 21 A L H >X S+ 0 0 1 -4,-2.4 3,-1.0 2,-0.2 4,-0.6 0.956 111.3 47.1 -54.2 -55.6 39.8 100.1 -17.0 22 22 A R H >< S+ 0 0 22 -4,-2.6 3,-1.0 1,-0.2 -1,-0.2 0.918 113.2 52.0 -47.2 -42.8 37.1 99.1 -14.6 23 23 A N H 3< S+ 0 0 118 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.662 99.4 61.2 -77.8 -15.3 35.3 97.5 -17.6 24 24 A A H << S+ 0 0 46 -4,-1.2 -1,-0.3 -3,-1.0 -2,-0.2 0.572 85.4 91.3 -86.9 -14.7 38.3 95.4 -18.8 25 25 A L S << S- 0 0 8 -3,-1.0 2,-0.3 -4,-0.6 42,-0.1 -0.570 77.3-128.3 -78.5 142.0 38.5 93.5 -15.6 26 26 A P + 0 0 46 0, 0.0 12,-1.3 0, 0.0 2,-0.3 -0.762 32.8 163.0 -92.6 152.6 36.5 90.3 -15.5 27 27 A F E -F 37 0B 81 -2,-0.3 10,-0.2 10,-0.2 3,-0.1 -0.952 25.5-158.8-155.5 154.4 34.0 89.3 -12.9 28 28 A R E S+ 0 0 188 8,-0.7 2,-0.2 -2,-0.3 -1,-0.1 0.764 76.9 27.3-101.2 -55.7 31.2 86.6 -12.8 29 29 A E E - 0 0 109 7,-0.2 7,-2.5 8,-0.1 2,-0.4 -0.518 66.2-136.0-101.1 169.4 29.0 87.9 -10.1 30 30 A K E -F 35 0B 106 5,-0.2 2,-0.6 -2,-0.2 3,-0.1 -0.966 16.2-150.3-120.5 129.8 28.2 91.2 -8.6 31 31 A V E > S-F 34 0B 1 3,-2.9 3,-2.1 -2,-0.4 169,-0.1 -0.944 84.4 -15.8-103.1 116.5 28.0 91.3 -4.8 32 32 A Y T 3 S- 0 0 88 -2,-0.6 -1,-0.2 1,-0.3 168,-0.0 0.811 130.3 -56.4 55.8 34.6 25.5 94.0 -3.7 33 33 A N T 3 S+ 0 0 126 1,-0.2 -1,-0.3 -3,-0.1 3,-0.0 0.074 116.1 112.5 81.8 -5.2 25.7 95.3 -7.2 34 34 A I E < S-F 31 0B 12 -3,-2.1 -3,-2.9 1,-0.1 -1,-0.2 -0.708 78.0-101.3 -90.0 133.8 29.5 95.8 -7.2 35 35 A P E -F 30 0B 25 0, 0.0 205,-2.1 0, 0.0 2,-0.6 -0.197 27.7-142.1 -50.4 127.1 31.7 93.6 -9.5 36 36 A L E -g 240 0C 11 -7,-2.5 -8,-0.7 203,-0.2 -7,-0.2 -0.909 21.2-130.1 -95.8 117.1 33.3 90.7 -7.7 37 37 A L E -F 27 0B 0 203,-2.4 -10,-0.2 -2,-0.6 205,-0.2 -0.431 32.4 -95.2 -73.4 139.4 36.8 90.2 -9.3 38 38 A L - 0 0 15 -12,-1.3 204,-0.3 28,-0.3 3,-0.1 -0.248 26.0-126.6 -51.3 147.8 37.6 86.6 -10.3 39 39 A P S S- 0 0 40 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.843 84.4 -16.1 -73.7 -28.7 39.6 84.6 -7.7 40 40 A S - 0 0 71 26,-0.1 2,-0.3 2,-0.0 205,-0.0 -0.974 53.8-159.8-168.0 160.8 42.2 83.8 -10.3 41 41 A V - 0 0 27 -2,-0.3 2,-0.4 -3,-0.1 5,-0.1 -0.935 15.3-146.5-130.9 155.8 43.0 83.7 -14.0 42 42 A S + 0 0 110 -2,-0.3 3,-0.4 3,-0.0 2,-0.2 -0.970 55.6 21.8-131.9 143.0 45.6 81.7 -15.8 43 43 A G S > S- 0 0 30 -2,-0.4 3,-1.1 1,-0.2 51,-0.1 -0.562 113.1 -46.0 104.3-166.5 47.7 82.6 -18.9 44 44 A A G > S+ 0 0 58 1,-0.2 3,-2.2 -2,-0.2 -1,-0.2 0.694 126.6 80.9 -72.0 -16.3 48.5 85.9 -20.3 45 45 A G G 3 S+ 0 0 55 -3,-0.4 -1,-0.2 1,-0.3 -2,-0.1 0.505 75.4 70.6 -72.2 -4.2 44.8 86.6 -19.8 46 46 A R G < S+ 0 0 46 -3,-1.1 20,-2.0 -5,-0.1 2,-0.5 0.509 92.5 76.8 -79.5 -5.7 45.5 87.3 -16.2 47 47 A Y E < - B 0 65A 21 -3,-2.2 2,-0.4 18,-0.2 18,-0.2 -0.928 61.5-161.6-122.9 126.3 47.2 90.5 -17.4 48 48 A L E - B 0 64A 12 16,-3.6 16,-3.1 -2,-0.5 2,-0.6 -0.840 16.5-144.3-100.0 133.8 45.7 93.8 -18.6 49 49 A L E - B 0 63A 41 -2,-0.4 -47,-1.2 14,-0.2 2,-0.6 -0.902 10.7-163.3-104.6 114.2 47.9 96.1 -20.7 50 50 A M E -aB 2 62A 0 12,-3.3 12,-3.0 -2,-0.6 2,-0.6 -0.888 5.6-155.4 -94.6 125.4 47.5 99.9 -20.2 51 51 A H E -aB 3 61A 38 -49,-3.1 -47,-1.7 -2,-0.6 2,-0.5 -0.857 16.0-173.5 -96.1 116.8 49.0 102.1 -22.8 52 52 A L E -aB 4 60A 0 8,-2.6 8,-1.7 -2,-0.6 2,-0.4 -0.973 5.4-166.9-116.3 122.7 49.8 105.5 -21.3 53 53 A F E -aB 5 59A 30 -49,-2.3 -47,-2.4 -2,-0.5 6,-0.2 -0.921 9.5-146.6-109.1 132.9 50.9 108.5 -23.4 54 54 A N > - 0 0 2 4,-2.4 3,-1.2 -2,-0.4 -47,-0.5 -0.159 41.9 -83.7 -82.6-172.6 52.4 111.7 -21.9 55 55 A R T 3 S+ 0 0 98 1,-0.3 -1,-0.0 -49,-0.2 -2,-0.0 0.908 130.8 49.4 -67.1 -36.6 52.0 115.2 -23.4 56 56 A D T 3 S- 0 0 126 1,-0.1 -1,-0.3 2,-0.1 -3,-0.0 0.419 123.0-107.6 -77.5 -7.6 54.8 114.8 -25.9 57 57 A G < + 0 0 40 -3,-1.2 2,-0.3 1,-0.3 -2,-0.1 0.684 67.7 148.5 94.7 18.4 53.3 111.5 -26.8 58 58 A K - 0 0 107 1,-0.0 -4,-2.4 2,-0.0 2,-0.3 -0.696 32.4-148.4 -81.3 145.2 55.8 109.2 -25.3 59 59 A T E -B 53 0A 54 -2,-0.3 18,-0.5 -6,-0.2 2,-0.4 -0.833 23.2-173.9-128.8 138.5 54.3 105.9 -24.1 60 60 A I E -BC 52 76A 0 -8,-1.7 -8,-2.6 -2,-0.3 2,-0.6 -0.973 21.4-140.8-108.3 139.8 54.8 103.2 -21.5 61 61 A T E -BC 51 75A 22 14,-1.4 14,-1.9 -2,-0.4 2,-0.3 -0.939 20.7-161.9 -93.8 121.2 52.8 100.0 -21.5 62 62 A V E -BC 50 74A 0 -12,-3.0 -12,-3.3 -2,-0.6 2,-0.5 -0.800 8.1-140.9-100.3 146.8 51.8 99.0 -17.9 63 63 A A E -BC 49 73A 0 10,-2.3 9,-2.8 -2,-0.3 10,-0.6 -0.926 16.9-169.9-115.2 126.1 50.7 95.5 -16.9 64 64 A V E -BC 48 71A 1 -16,-3.1 -16,-3.6 -2,-0.5 2,-0.7 -0.943 24.4-128.0-120.5 129.3 47.9 95.0 -14.4 65 65 A D E >>> -BC 47 70A 5 5,-2.8 4,-2.3 -2,-0.4 3,-1.3 -0.803 19.0-150.7 -71.3 119.3 46.8 91.8 -12.8 66 66 A V T 345S+ 0 0 8 -20,-2.0 -28,-0.3 -2,-0.7 -1,-0.1 0.492 87.4 65.0 -74.5 -4.5 43.1 91.6 -13.4 67 67 A T T 345S+ 0 0 0 -21,-0.4 175,-0.5 -30,-0.1 -1,-0.3 0.669 127.3 3.7 -89.4 -24.4 42.3 89.6 -10.3 68 68 A N T <45S- 0 0 41 -3,-1.3 -2,-0.2 2,-0.1 -1,-0.1 0.327 96.2-113.5-141.2 4.0 43.4 92.4 -7.8 69 69 A V T <5 + 0 0 2 -4,-2.3 2,-0.4 1,-0.2 -3,-0.2 0.783 58.5 162.9 62.2 34.1 44.3 95.4 -10.0 70 70 A Y E < -C 65 0A 55 -5,-0.9 -5,-2.8 89,-0.0 2,-0.3 -0.711 40.6-128.6 -93.8 125.2 48.0 95.1 -9.0 71 71 A I E -C 64 0A 6 -2,-0.4 -7,-0.2 -7,-0.2 3,-0.1 -0.641 26.6-177.7 -66.1 126.4 50.6 96.9 -11.2 72 72 A M E - 0 0 1 -9,-2.8 11,-2.1 1,-0.5 2,-0.3 0.839 51.3 -68.4 -99.7 -54.2 53.2 94.3 -12.0 73 73 A G E -CD 63 82A 0 -10,-0.6 -10,-2.3 9,-0.3 -1,-0.5 -0.917 48.9-125.6-173.5-157.5 55.7 96.3 -14.0 74 74 A Y E -CD 62 81A 4 7,-2.5 7,-3.0 -2,-0.3 2,-0.4 -0.893 11.8-113.8-155.9 178.4 55.9 98.0 -17.4 75 75 A L E -CD 61 80A 27 -14,-1.9 -14,-1.4 -2,-0.3 2,-0.5 -0.987 11.7-165.7-128.1 129.6 57.8 98.4 -20.6 76 76 A A E > -CD 60 79A 0 3,-2.5 3,-2.6 -2,-0.4 2,-0.5 -0.978 68.4 -65.9-119.1 116.0 59.7 101.5 -21.8 77 77 A D T 3 S- 0 0 117 -18,-0.5 -16,-0.0 -2,-0.5 63,-0.0 -0.166 123.8 -3.8 21.4 -81.8 60.4 100.9 -25.5 78 78 A T T 3 S+ 0 0 36 -2,-0.5 22,-1.7 21,-0.1 2,-0.4 0.398 120.8 73.1-108.0 -2.0 62.7 97.9 -25.3 79 79 A T E < -D 76 0A 11 -3,-2.6 -3,-2.5 20,-0.2 2,-0.3 -0.914 60.6-156.0-111.1 144.4 63.3 97.4 -21.7 80 80 A S E -De 75 102A 3 21,-1.9 23,-3.1 -2,-0.4 2,-0.4 -0.873 4.0-162.8-114.3 146.8 60.8 95.9 -19.2 81 81 A Y E +De 74 103A 12 -7,-3.0 -7,-2.5 -2,-0.3 2,-0.3 -0.993 10.2 179.3-126.2 137.1 60.9 96.6 -15.5 82 82 A F E -De 73 104A 2 21,-1.7 23,-2.6 -2,-0.4 -9,-0.3 -0.921 33.1 -98.7-127.7 160.3 59.1 94.4 -13.0 83 83 A F - 0 0 3 -11,-2.1 2,-1.5 -2,-0.3 25,-0.3 -0.245 38.0-106.6 -74.3 162.3 58.8 94.6 -9.2 84 84 A N S S+ 0 0 100 23,-3.8 -1,-0.1 4,-0.1 3,-0.1 -0.704 84.3 99.2 -94.4 81.6 61.0 92.4 -7.1 85 85 A E S >> S- 0 0 38 -2,-1.5 4,-2.1 23,-0.1 3,-1.0 -0.911 81.1-108.7-165.7 148.6 58.3 90.0 -5.9 86 86 A P H 3> S+ 0 0 112 0, 0.0 4,-3.0 0, 0.0 5,-0.2 0.854 114.7 51.6 -56.8 -46.6 57.1 86.5 -7.0 87 87 A A H 3> S+ 0 0 46 1,-0.2 4,-2.7 2,-0.2 5,-0.1 0.859 111.6 50.9 -55.0 -35.7 53.8 87.5 -8.7 88 88 A A H <> S+ 0 0 0 -3,-1.0 4,-2.0 2,-0.2 -1,-0.2 0.908 108.7 49.8 -75.8 -37.8 55.8 90.0 -10.7 89 89 A E H < S+ 0 0 94 -4,-2.1 -2,-0.2 2,-0.2 4,-0.2 0.899 111.3 49.7 -65.3 -37.3 58.3 87.4 -11.7 90 90 A L H >< S+ 0 0 63 -4,-3.0 3,-2.7 1,-0.2 4,-0.4 0.972 108.3 53.7 -63.8 -45.7 55.4 85.0 -12.8 91 91 A A H >X S+ 0 0 0 -4,-2.7 3,-2.5 1,-0.3 4,-2.1 0.859 95.8 66.8 -53.3 -45.6 53.9 87.9 -14.8 92 92 A S T 3< S+ 0 0 14 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.581 91.6 66.1 -49.9 -17.4 57.2 88.4 -16.6 93 93 A Q T <4 S+ 0 0 106 -3,-2.7 -1,-0.3 -4,-0.2 -2,-0.2 0.743 112.8 27.7 -77.2 -26.8 56.5 85.0 -18.1 94 94 A Y T <4 S+ 0 0 92 -3,-2.5 2,-0.3 -4,-0.4 3,-0.3 0.684 113.8 61.8-111.0 -25.1 53.5 86.2 -20.1 95 95 A V S < S+ 0 0 11 -4,-2.1 -21,-0.0 1,-0.2 -32,-0.0 -0.758 102.0 5.2-113.0 155.3 54.1 89.9 -20.7 96 96 A F > + 0 0 21 -2,-0.3 3,-1.1 1,-0.1 -1,-0.2 0.830 68.0 156.1 50.3 48.3 56.7 92.0 -22.6 97 97 A R T 3 + 0 0 181 -3,-0.3 -1,-0.1 1,-0.2 -2,-0.1 0.772 66.9 58.3 -77.7 -13.1 58.4 88.9 -24.0 98 98 A D T 3 S+ 0 0 138 2,-0.1 -1,-0.2 3,-0.0 2,-0.1 0.447 76.0 115.8 -97.8 -6.1 59.8 90.9 -26.9 99 99 A A < - 0 0 21 -3,-1.1 -20,-0.2 1,-0.1 -21,-0.1 -0.415 66.8-133.7 -63.8 148.8 61.7 93.5 -24.8 100 100 A R S S+ 0 0 176 -22,-1.7 2,-0.2 1,-0.1 -21,-0.2 0.072 85.1 19.0 -93.5 17.4 65.5 93.4 -25.3 101 101 A R - 0 0 131 -23,-0.3 -21,-1.9 2,-0.0 2,-0.4 -0.774 64.8-150.2 176.9 142.6 66.3 93.5 -21.6 102 102 A K E -e 80 0A 88 -2,-0.2 2,-0.4 -23,-0.2 -21,-0.2 -0.972 13.6-168.3-135.6 118.9 64.4 92.9 -18.4 103 103 A I E -e 81 0A 44 -23,-3.1 -21,-1.7 -2,-0.4 2,-0.6 -0.835 12.4-146.3-110.5 138.6 65.3 94.8 -15.2 104 104 A T E -e 82 0A 57 -2,-0.4 -21,-0.2 -23,-0.2 -20,-0.1 -0.901 23.2-127.5-103.8 123.9 64.0 93.9 -11.8 105 105 A L - 0 0 1 -23,-2.6 -24,-0.0 -2,-0.6 -23,-0.0 -0.262 22.1-115.3 -67.0 154.0 63.5 96.9 -9.6 106 106 A P S S+ 0 0 68 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.506 93.0 50.9 -71.2 1.2 65.2 96.8 -6.3 107 107 A Y S S- 0 0 4 37,-0.0 -23,-3.8 -22,-0.0 2,-0.2 -0.817 81.5-110.2-135.0 163.5 61.9 96.8 -4.5 108 108 A S - 0 0 25 -2,-0.3 -23,-0.1 -25,-0.3 6,-0.0 -0.497 40.2-108.3 -80.7 175.0 58.5 95.1 -4.4 109 109 A G S S+ 0 0 5 -2,-0.2 -38,-0.2 4,-0.1 2,-0.2 0.111 77.4 112.3-100.8 21.1 55.5 97.0 -5.5 110 110 A D S > S- 0 0 64 1,-0.1 4,-2.1 4,-0.0 5,-0.2 -0.501 75.1-113.0 -95.0 165.0 53.8 97.6 -2.2 111 111 A Y H > S+ 0 0 37 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.860 109.2 56.6 -66.3 -43.6 53.4 101.0 -0.7 112 112 A E H > S+ 0 0 135 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.939 113.4 40.6 -61.1 -37.7 55.6 100.6 2.3 113 113 A R H > S+ 0 0 75 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.902 113.8 53.0 -75.4 -43.5 58.6 99.6 0.3 114 114 A L H X S+ 0 0 0 -4,-2.1 4,-0.8 2,-0.2 -1,-0.2 0.829 111.3 46.5 -59.9 -32.4 57.9 102.2 -2.5 115 115 A Q H >X S+ 0 0 33 -4,-2.3 4,-2.4 2,-0.2 3,-1.2 0.982 112.1 49.8 -77.1 -48.7 57.7 105.0 0.1 116 116 A I H 3< S+ 0 0 108 -4,-2.0 3,-0.3 1,-0.3 -2,-0.2 0.907 113.6 47.9 -45.1 -54.2 60.9 103.9 1.9 117 117 A A H 3< S+ 0 0 25 -4,-2.9 -1,-0.3 1,-0.2 -2,-0.2 0.702 116.6 42.8 -59.1 -32.1 62.6 103.8 -1.6 118 118 A A H << S- 0 0 20 -3,-1.2 -1,-0.2 -4,-0.8 -2,-0.2 0.624 99.4-130.7 -95.0 -18.3 61.3 107.2 -2.5 119 119 A G S < S+ 0 0 66 -4,-2.4 -3,-0.1 -3,-0.3 -4,-0.1 0.226 78.6 87.0 85.9 -17.9 61.9 109.0 0.7 120 120 A K S S- 0 0 110 -5,-0.4 -2,-0.2 2,-0.0 -1,-0.2 -0.931 74.3-128.2-114.3 139.6 58.4 110.5 0.9 121 121 A P > - 0 0 35 0, 0.0 3,-2.0 0, 0.0 4,-0.0 -0.428 38.5-102.6 -71.8 161.0 55.3 109.0 2.4 122 122 A R G > S+ 0 0 11 1,-0.3 3,-1.4 2,-0.2 -2,-0.0 0.738 118.0 68.1 -55.5 -33.0 52.2 109.0 0.1 123 123 A E G 3 S+ 0 0 77 1,-0.3 -1,-0.3 57,-0.1 57,-0.1 0.645 100.8 48.1 -61.8 -20.6 50.7 111.9 1.9 124 124 A K G < S+ 0 0 122 -3,-2.0 -1,-0.3 56,-0.1 -2,-0.2 0.173 89.9 90.5-116.5 25.4 53.5 114.2 0.7 125 125 A I S < S- 0 0 12 -3,-1.4 2,-0.3 54,-0.1 54,-0.1 -0.970 74.3-130.2-119.6 113.8 53.5 113.3 -3.0 126 126 A P - 0 0 54 0, 0.0 2,-0.3 0, 0.0 54,-0.3 -0.583 24.3-165.5 -54.4 134.4 51.2 115.4 -5.2 127 127 A I B +H 179 0D 3 52,-1.9 52,-2.2 -2,-0.3 2,-0.3 -0.765 30.4 109.1-120.7 157.9 48.9 113.5 -7.5 128 128 A G S > S- 0 0 0 -2,-0.3 4,-1.3 50,-0.2 47,-0.2 -0.912 80.4 -72.8 166.8-174.2 47.0 114.7 -10.5 129 129 A L H > S+ 0 0 1 45,-1.9 4,-0.9 42,-0.3 46,-0.1 0.591 130.0 55.6 -77.8 -25.5 47.1 114.4 -14.3 130 130 A P H > S+ 0 0 35 0, 0.0 4,-2.1 0, 0.0 3,-0.3 0.918 108.4 48.7 -69.3 -41.8 50.1 116.6 -14.4 131 131 A A H > S+ 0 0 9 1,-0.2 4,-3.9 2,-0.2 -2,-0.2 0.890 107.6 54.7 -56.2 -45.5 51.9 114.3 -12.0 132 132 A L H X S+ 0 0 0 -4,-1.3 4,-2.7 1,-0.2 -1,-0.2 0.869 107.8 49.9 -60.2 -34.4 50.9 111.3 -14.1 133 133 A D H X S+ 0 0 28 -4,-0.9 4,-1.6 -3,-0.3 -1,-0.2 0.897 112.6 46.4 -70.8 -43.9 52.5 112.9 -17.1 134 134 A S H >X S+ 0 0 68 -4,-2.1 4,-2.2 2,-0.2 3,-0.7 0.982 111.8 52.8 -53.9 -57.6 55.6 113.5 -15.1 135 135 A A H 3X S+ 0 0 2 -4,-3.9 4,-2.3 1,-0.3 -2,-0.2 0.875 107.1 50.9 -50.2 -47.2 55.5 110.0 -13.8 136 136 A I H 3X S+ 0 0 0 -4,-2.7 4,-0.8 1,-0.2 -1,-0.3 0.903 111.2 49.7 -58.5 -37.6 55.3 108.5 -17.3 137 137 A S H << S+ 0 0 32 -4,-1.6 -1,-0.2 -3,-0.7 -2,-0.2 0.803 108.6 50.4 -74.6 -43.0 58.3 110.6 -18.3 138 138 A T H >< S+ 0 0 37 -4,-2.2 3,-2.3 1,-0.2 -1,-0.2 0.967 108.0 55.3 -49.5 -50.8 60.4 109.5 -15.4 139 139 A L H 3< S+ 0 0 3 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.704 91.0 73.7 -64.5 -21.1 59.6 105.9 -16.2 140 140 A L T 3< S+ 0 0 37 -4,-0.8 2,-0.3 1,-0.2 -1,-0.3 0.640 104.2 36.7 -70.6 -21.4 60.8 106.2 -19.7 141 141 A H S < S- 0 0 135 -3,-2.3 -1,-0.2 -4,-0.2 0, 0.0 -0.936 99.5-102.0-136.7 130.9 64.4 106.3 -18.5 142 142 A Y + 0 0 115 -2,-0.3 2,-0.2 -3,-0.1 -3,-0.1 -0.079 54.3 139.4 -60.9 123.0 65.7 104.2 -15.6 143 143 A D > - 0 0 85 1,-0.0 4,-3.1 -4,-0.0 5,-0.2 -0.686 36.6-153.1-155.7 112.0 66.3 105.7 -12.1 144 144 A S H > S+ 0 0 31 1,-0.3 4,-1.3 2,-0.2 5,-0.1 0.743 94.0 44.2 -69.2 -22.9 65.2 103.5 -9.3 145 145 A T H > S+ 0 0 80 2,-0.2 4,-1.6 1,-0.1 -1,-0.3 0.904 114.1 49.0 -83.5 -43.4 64.5 106.3 -6.8 146 146 A A H > S+ 0 0 37 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.931 110.9 52.9 -61.7 -37.6 62.8 108.5 -9.4 147 147 A A H X S+ 0 0 3 -4,-3.1 4,-2.6 2,-0.2 5,-0.3 0.893 100.5 59.1 -66.9 -35.6 60.6 105.4 -10.3 148 148 A A H X S+ 0 0 0 -4,-1.3 4,-2.3 -5,-0.2 -1,-0.2 0.962 110.4 44.8 -59.6 -40.9 59.5 104.7 -6.8 149 149 A G H X S+ 0 0 21 -4,-1.6 4,-1.0 1,-0.2 -1,-0.2 0.881 115.9 44.1 -68.8 -45.0 58.1 108.1 -6.7 150 150 A A H X S+ 0 0 6 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.679 110.8 54.9 -66.8 -32.7 56.4 107.9 -10.1 151 151 A L H X S+ 0 0 0 -4,-2.6 4,-3.1 2,-0.2 5,-0.3 0.954 104.5 54.6 -71.9 -37.7 55.1 104.5 -9.5 152 152 A L H X S+ 0 0 0 -4,-2.3 4,-1.2 -5,-0.3 -2,-0.2 0.820 113.5 41.7 -58.7 -36.0 53.4 105.8 -6.3 153 153 A V H X S+ 0 0 8 -4,-1.0 4,-1.7 2,-0.2 -1,-0.3 0.877 114.4 53.5 -74.7 -39.0 51.7 108.4 -8.5 154 154 A L H X S+ 0 0 0 -4,-2.1 4,-0.8 2,-0.2 5,-0.4 0.885 108.6 46.5 -66.3 -46.1 51.0 105.9 -11.2 155 155 A I H >X>S+ 0 0 15 -4,-3.1 5,-1.5 1,-0.2 4,-1.3 0.976 114.4 48.8 -58.9 -55.0 49.3 103.3 -8.9 156 156 A Q H 3<5S+ 0 0 0 -4,-1.2 -2,-0.2 -5,-0.3 -1,-0.2 0.705 111.8 46.8 -57.5 -34.4 47.1 105.9 -7.3 157 157 A T H 3<5S+ 0 0 0 -4,-1.7 -1,-0.3 3,-0.1 -2,-0.2 0.535 128.1 21.7 -91.8 -10.2 45.9 107.6 -10.4 158 158 A T H S+ 0 0 61 71,-2.3 4,-1.4 -2,-0.4 -1,-0.1 0.828 98.0 61.7 -59.6 -30.5 34.9 106.5 -7.4 166 166 A Y H >> S+ 0 0 44 2,-0.2 4,-2.6 1,-0.2 3,-0.6 0.960 105.0 45.9 -57.3 -53.3 35.9 109.1 -4.8 167 167 A I H 3> S+ 0 0 2 -7,-0.3 4,-1.8 1,-0.3 -6,-0.2 0.881 108.8 55.1 -62.6 -34.6 39.6 108.8 -5.8 168 168 A E H 3X S+ 0 0 6 -4,-1.8 4,-0.8 -7,-0.4 -1,-0.3 0.819 109.6 49.9 -67.4 -25.8 38.7 109.0 -9.5 169 169 A Q H XX S+ 0 0 95 -4,-1.4 4,-2.2 -3,-0.6 3,-0.5 0.932 104.9 54.8 -79.6 -42.3 36.9 112.2 -8.5 170 170 A Q H 3< S+ 0 0 18 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.867 108.1 50.8 -48.1 -43.3 39.9 113.7 -6.6 171 171 A I H >< S+ 0 0 0 -4,-1.8 3,-0.9 1,-0.2 -42,-0.3 0.789 105.8 54.8 -75.7 -25.4 42.0 113.2 -9.7 172 172 A Q H X< S+ 0 0 48 -4,-0.8 3,-1.5 -3,-0.5 -2,-0.2 0.936 104.1 54.6 -72.1 -41.0 39.5 115.0 -11.9 173 173 A E T 3< S+ 0 0 129 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.359 111.3 48.4 -54.1 -16.2 39.7 117.9 -9.4 174 174 A R T < S+ 0 0 8 -3,-0.9 -45,-1.9 -5,-0.2 -1,-0.3 -0.058 70.3 118.9-123.6 30.6 43.5 117.8 -10.2 175 175 A A S < S+ 0 0 4 -3,-1.5 -2,-0.1 -47,-0.2 3,-0.1 0.677 93.7 20.3 -68.2 -23.8 43.4 117.6 -14.0 176 176 A Y S S+ 0 0 178 1,-0.3 2,-0.3 -4,-0.1 -1,-0.2 0.324 131.1 34.8-129.2 4.9 45.3 120.9 -14.2 177 177 A R S S- 0 0 169 -50,-0.0 -1,-0.3 2,-0.0 2,-0.2 -0.920 74.0-133.8-157.4 134.5 47.0 121.2 -10.8 178 178 A D + 0 0 51 -2,-0.3 2,-0.3 -50,-0.1 -50,-0.2 -0.534 24.4 174.6 -85.9 170.4 48.4 118.5 -8.5 179 179 A E B -H 127 0D 83 -52,-2.2 -52,-1.9 -2,-0.2 3,-0.1 -0.967 38.4 -91.0-174.9 144.8 47.9 118.2 -4.8 180 180 A V - 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