==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-APR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 16-APR-13 4K6Q . COMPND 2 MOLECULE: RRNA N-GLYCOSIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MOMORDICA BALSAMINA; . AUTHOR S.YAMINI,S.PANDEY,G.S.KUSHWAHA,M.SINHA,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) . 11322.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 175 71.1 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 . 35 14.2 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 . 30 12.2 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 . 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 1 1 0 1 1 0 1 0 0 2 0 0 0 0 0 1 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 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 . 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 0 132 0, 0.0 2,-0.3 0, 0.0 49,-0.2 0.000 360.0 360.0 360.0 164.3 25.7 10.5 14.8 2 2 A V E -a 50 0A 11 47,-2.2 49,-3.2 2,-0.0 2,-0.3 -0.926 360.0-160.3-127.4 157.2 23.1 12.9 13.5 3 3 A S E -a 51 0A 44 -2,-0.3 2,-0.3 47,-0.2 49,-0.2 -0.959 11.7-173.8-137.7 153.8 19.4 13.2 14.4 4 4 A F E -a 52 0A 8 47,-2.4 49,-2.5 -2,-0.3 2,-0.5 -0.949 8.3-160.1-149.1 131.7 16.2 14.7 13.0 5 5 A R E -a 53 0A 142 -2,-0.3 49,-0.2 47,-0.2 50,-0.1 -0.941 9.2-162.2-115.1 123.4 12.7 14.8 14.7 6 6 A L > + 0 0 17 47,-2.7 3,-2.0 -2,-0.5 2,-0.6 0.779 69.9 96.2 -72.9 -26.9 9.6 15.3 12.6 7 7 A S T 3 S- 0 0 71 47,-0.4 -2,-0.1 1,-0.3 49,-0.0 -0.540 107.5 -1.2 -67.5 113.5 7.6 16.3 15.7 8 8 A G T 3 S+ 0 0 72 -2,-0.6 -1,-0.3 1,-0.2 5,-0.2 0.542 97.9 160.1 81.4 9.6 7.8 20.1 15.7 9 9 A A < + 0 0 15 -3,-2.0 -1,-0.2 4,-0.1 -3,-0.1 -0.328 9.1 165.5 -66.8 141.8 9.9 20.1 12.6 10 10 A D > - 0 0 62 -2,-0.0 4,-2.5 119,-0.0 5,-0.3 -0.889 55.9 -83.4-143.3 174.9 10.1 23.3 10.5 11 11 A P H > S+ 0 0 43 0, 0.0 4,-2.0 0, 0.0 5,-0.1 0.848 127.6 52.6 -51.5 -34.0 12.3 24.6 7.7 12 12 A S H > S+ 0 0 75 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.956 110.1 43.9 -66.1 -53.0 14.8 25.8 10.3 13 13 A S H > S+ 0 0 28 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.861 114.2 51.3 -65.1 -34.8 15.2 22.5 12.2 14 14 A Y H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.919 108.4 52.3 -64.6 -43.4 15.4 20.6 8.9 15 15 A G H X S+ 0 0 12 -4,-2.0 4,-2.2 -5,-0.3 -2,-0.2 0.886 107.9 51.4 -57.7 -40.5 18.1 23.0 7.8 16 16 A M H X S+ 0 0 95 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.892 109.2 51.1 -64.3 -39.4 20.0 22.3 11.0 17 17 A F H X S+ 0 0 3 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.927 110.4 47.1 -62.1 -47.1 19.7 18.5 10.3 18 18 A I H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.878 111.8 52.1 -66.5 -36.1 21.1 18.8 6.8 19 19 A K H X S+ 0 0 118 -4,-2.2 4,-2.5 -5,-0.2 -1,-0.2 0.933 110.8 47.4 -60.7 -48.1 23.9 21.0 8.1 20 20 A D H X S+ 0 0 74 -4,-2.5 4,-1.2 2,-0.2 -2,-0.2 0.901 110.8 52.6 -58.6 -43.4 24.7 18.3 10.7 21 21 A L H >X S+ 0 0 1 -4,-2.6 3,-0.7 2,-0.2 4,-0.6 0.952 111.6 44.7 -59.8 -51.7 24.6 15.6 8.1 22 22 A R H >< S+ 0 0 28 -4,-2.5 3,-1.3 1,-0.2 -1,-0.2 0.914 113.1 51.2 -56.3 -46.6 27.0 17.5 5.8 23 23 A N H 3< S+ 0 0 124 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.662 101.9 61.6 -70.5 -17.1 29.3 18.2 8.7 24 24 A A H << S+ 0 0 39 -4,-1.2 -1,-0.3 -3,-0.7 -2,-0.2 0.620 85.5 89.6 -81.1 -15.0 29.4 14.6 9.8 25 25 A L S << S- 0 0 6 -3,-1.3 2,-0.1 -4,-0.6 42,-0.1 -0.749 79.4-131.2 -86.5 123.3 31.0 13.6 6.5 26 26 A P + 0 0 51 0, 0.0 12,-0.7 0, 0.0 2,-0.3 -0.388 32.5 163.4 -78.2 151.2 34.8 13.7 6.7 27 27 A H - 0 0 77 10,-0.2 10,-0.1 -2,-0.1 3,-0.1 -0.964 28.9-164.9-156.9 153.3 37.1 15.3 4.2 28 28 A T S S+ 0 0 131 8,-0.5 2,-0.3 -2,-0.3 9,-0.1 0.403 79.0 38.3-113.5 -4.1 40.7 16.5 4.1 29 29 A E - 0 0 91 7,-0.5 7,-2.7 2,-0.0 2,-0.4 -0.993 61.3-148.4-150.1 143.7 40.5 18.7 1.1 30 30 A K E -F 35 0B 111 -2,-0.3 2,-0.5 5,-0.2 3,-0.1 -0.940 10.7-154.3-111.3 143.0 38.1 21.1 -0.6 31 31 A V E > S-F 34 0B 2 3,-2.6 3,-1.4 -2,-0.4 169,-0.1 -0.983 85.5 -12.8-118.1 118.2 38.0 21.5 -4.4 32 32 A Y T 3 S- 0 0 89 -2,-0.5 -1,-0.2 1,-0.2 168,-0.0 0.894 130.9 -57.1 50.0 44.6 36.7 24.9 -5.5 33 33 A N T 3 S+ 0 0 132 1,-0.2 -1,-0.2 -3,-0.1 -3,-0.0 0.543 114.4 118.3 68.3 12.8 35.7 25.4 -1.9 34 34 A I E < S-F 31 0B 8 -3,-1.4 -3,-2.6 205,-0.0 -1,-0.2 -0.936 73.7-107.7-109.4 126.5 33.4 22.3 -1.9 35 35 A P E -F 30 0B 27 0, 0.0 205,-2.0 0, 0.0 2,-0.6 -0.251 29.0-140.7 -53.4 132.0 34.3 19.5 0.5 36 36 A L B -g 240 0C 11 -7,-2.7 -7,-0.5 203,-0.2 -8,-0.5 -0.879 16.5-129.6 -98.9 115.9 35.8 16.4 -1.3 37 37 A L - 0 0 1 203,-2.6 -10,-0.2 -2,-0.6 30,-0.1 -0.283 34.8 -95.4 -62.5 152.0 34.5 13.1 0.1 38 38 A L - 0 0 35 -12,-0.7 204,-0.3 28,-0.3 3,-0.1 -0.324 19.7-126.4 -72.6 149.6 37.3 10.6 0.9 39 39 A P S S- 0 0 37 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.886 87.4 -18.4 -59.6 -40.1 38.4 7.9 -1.5 40 40 A S - 0 0 76 26,-0.0 2,-0.3 2,-0.0 205,-0.0 -0.981 52.0-154.4-161.8 158.0 37.8 5.3 1.2 41 41 A V - 0 0 32 -2,-0.3 2,-0.3 -3,-0.1 5,-0.1 -0.991 24.3-133.3-136.0 137.3 37.4 4.8 5.0 42 42 A S > - 0 0 112 -2,-0.3 3,-0.6 3,-0.1 2,-0.0 -0.685 58.1 -14.3 -96.1 143.4 38.2 1.5 6.7 43 43 A G G > S- 0 0 24 -2,-0.3 3,-1.3 1,-0.2 4,-0.1 -0.293 117.5 -21.0 76.1-152.2 36.0 -0.4 9.2 44 44 A A G > S+ 0 0 58 1,-0.3 3,-2.0 2,-0.2 -1,-0.2 0.747 121.7 76.5 -68.0 -26.2 33.1 1.0 11.2 45 45 A G G < S+ 0 0 54 -3,-0.6 -1,-0.3 1,-0.3 -2,-0.2 0.652 79.4 74.8 -60.4 -16.2 34.2 4.6 10.6 46 46 A R G < S+ 0 0 46 -3,-1.3 20,-3.3 -5,-0.1 2,-0.5 0.712 89.0 69.8 -65.4 -22.5 32.9 4.3 7.0 47 47 A Y E < - B 0 65A 18 -3,-2.0 2,-0.4 18,-0.2 18,-0.2 -0.878 62.9-158.3-115.4 127.3 29.2 4.6 8.2 48 48 A L E - B 0 64A 14 16,-3.3 16,-2.9 -2,-0.5 2,-0.5 -0.822 17.4-139.0 -93.6 136.2 27.3 7.5 9.7 49 49 A L E - B 0 63A 40 -2,-0.4 -47,-2.2 14,-0.2 2,-0.6 -0.876 13.7-164.4 -97.6 123.5 24.2 6.7 11.8 50 50 A M E -aB 2 62A 0 12,-2.6 12,-2.8 -2,-0.5 2,-0.8 -0.947 7.3-153.3-106.0 119.0 21.2 9.0 11.2 51 51 A H E -aB 3 61A 42 -49,-3.2 -47,-2.4 -2,-0.6 2,-0.5 -0.839 17.0-173.7 -94.4 111.0 18.5 8.8 13.9 52 52 A L E -aB 4 60A 0 8,-2.6 8,-2.1 -2,-0.8 2,-0.5 -0.914 5.9-164.8-111.1 130.7 15.2 9.7 12.4 53 53 A F E -aB 5 59A 40 -49,-2.5 -47,-2.7 -2,-0.5 -46,-0.2 -0.957 11.8-140.0-118.0 127.6 12.0 10.1 14.5 54 54 A N > - 0 0 3 4,-2.8 3,-2.4 -2,-0.5 -47,-0.4 -0.210 41.9 -87.8 -74.2 173.4 8.5 10.2 13.0 55 55 A Y T 3 S+ 0 0 146 1,-0.3 -1,-0.1 -49,-0.2 78,-0.0 0.837 130.0 52.8 -53.0 -37.2 5.9 12.6 14.4 56 56 A D T 3 S- 0 0 127 2,-0.1 -1,-0.3 1,-0.1 3,-0.1 0.485 120.8-107.3 -79.2 -4.1 4.8 10.1 17.0 57 57 A G S < S+ 0 0 42 -3,-2.4 2,-0.2 1,-0.3 -2,-0.1 0.483 72.5 140.4 91.2 2.9 8.4 9.7 18.2 58 58 A N - 0 0 90 -5,-0.0 -4,-2.8 1,-0.0 -1,-0.3 -0.539 37.8-151.5 -74.0 149.3 9.1 6.2 16.8 59 59 A T E -B 53 0A 52 -6,-0.2 18,-0.5 -2,-0.2 2,-0.3 -0.911 26.1-171.9-134.5 148.8 12.6 5.9 15.3 60 60 A I E -BC 52 76A 1 -8,-2.1 -8,-2.6 -2,-0.3 2,-0.5 -0.942 20.7-139.2-125.6 154.9 14.8 4.2 12.8 61 61 A T E -BC 51 75A 19 14,-1.9 14,-2.8 -2,-0.3 2,-0.5 -0.982 17.8-157.2-113.9 125.1 18.6 4.5 12.5 62 62 A V E -BC 50 74A 0 -12,-2.8 -12,-2.6 -2,-0.5 2,-0.5 -0.889 7.8-141.8-107.0 128.2 19.9 4.8 8.9 63 63 A A E -BC 49 73A 0 10,-2.6 9,-2.9 -2,-0.5 10,-1.0 -0.796 20.2-170.0 -90.9 125.1 23.4 3.7 8.1 64 64 A V E -BC 48 71A 2 -16,-2.9 -16,-3.3 -2,-0.5 2,-0.6 -0.960 24.5-127.8-120.6 129.2 25.1 6.0 5.5 65 65 A D E >>> -BC 47 70A 1 5,-2.8 4,-2.2 -2,-0.4 3,-1.0 -0.662 19.5-151.0 -73.0 117.2 28.4 5.4 3.7 66 66 A V T 345S+ 0 0 6 -20,-3.3 -28,-0.3 -2,-0.6 -1,-0.1 0.572 88.1 62.3 -74.5 -8.9 30.4 8.6 4.4 67 67 A T T 345S+ 0 0 0 -21,-0.3 175,-0.5 -30,-0.1 -1,-0.2 0.730 126.9 7.7 -84.6 -25.1 32.4 8.3 1.1 68 68 A N T <45S- 0 0 21 -3,-1.0 -2,-0.2 2,-0.1 3,-0.1 0.396 93.2-118.4-136.7 0.6 29.4 8.6 -1.2 69 69 A V T <5 + 0 0 1 -4,-2.2 2,-0.4 1,-0.2 -3,-0.2 0.712 60.4 153.9 59.9 26.2 26.4 9.4 1.0 70 70 A Y E < -C 65 0A 107 -5,-0.6 -5,-2.8 89,-0.1 2,-0.4 -0.678 47.2-124.4 -83.9 133.0 24.7 6.1 -0.1 71 71 A I E -C 64 0A 9 -2,-0.4 -7,-0.2 -7,-0.2 3,-0.1 -0.666 27.2-177.4 -75.9 128.8 22.2 4.6 2.3 72 72 A M E - 0 0 1 -9,-2.9 11,-2.1 -2,-0.4 2,-0.3 0.796 55.1 -55.7 -94.3 -38.5 23.3 1.0 3.2 73 73 A G E -CD 63 82A 1 -10,-1.0 -10,-2.6 9,-0.2 -1,-0.4 -0.956 49.6-123.9 176.8-171.7 20.5 -0.1 5.4 74 74 A Y E -CD 62 81A 3 7,-2.5 7,-2.6 -2,-0.3 2,-0.5 -0.985 11.8-123.5-158.6 160.7 18.6 0.8 8.6 75 75 A L E -CD 61 80A 36 -14,-2.8 -14,-1.9 -2,-0.3 2,-0.4 -0.947 19.5-176.8-113.0 129.8 17.5 -0.5 12.0 76 76 A A E > -CD 60 79A 2 3,-2.9 3,-1.9 -2,-0.5 2,-0.6 -0.942 66.3 -53.6-129.6 108.1 13.9 -0.6 13.0 77 77 A L T 3 S- 0 0 146 -18,-0.5 63,-0.0 -2,-0.4 -2,-0.0 -0.512 122.5 -19.9 57.8-106.3 13.4 -1.8 16.6 78 78 A T T 3 S+ 0 0 58 -2,-0.6 22,-1.7 21,-0.1 23,-1.4 0.219 121.6 86.8-116.0 13.2 15.2 -5.1 16.7 79 79 A T E < -De 76 101A 10 -3,-1.9 -3,-2.9 20,-0.2 2,-0.3 -0.961 59.8-155.6-117.9 129.4 15.4 -5.8 13.0 80 80 A S E -De 75 102A 3 21,-2.4 23,-3.1 -2,-0.5 2,-0.4 -0.744 6.6-161.5 -98.0 151.1 18.0 -4.6 10.6 81 81 A Y E -De 74 103A 4 -7,-2.6 -7,-2.5 -2,-0.3 2,-0.3 -0.999 9.1-179.0-135.2 128.8 17.4 -4.1 6.9 82 82 A F E -De 73 104A 4 21,-1.9 23,-3.0 -2,-0.4 -9,-0.2 -0.962 31.2-105.9-129.3 146.8 20.1 -3.8 4.2 83 83 A F - 0 0 5 -11,-2.1 2,-1.8 -2,-0.3 25,-0.3 -0.310 38.7-107.8 -62.6 152.1 20.1 -3.4 0.4 84 84 A N S S+ 0 0 104 23,-2.6 -1,-0.1 21,-0.1 24,-0.1 -0.595 84.1 101.0 -85.1 77.8 20.9 -6.4 -1.7 85 85 A E S >> S- 0 0 39 -2,-1.8 4,-2.1 -13,-0.1 3,-0.6 -0.975 82.0-109.8-159.1 151.1 24.3 -5.2 -2.9 86 86 A P H 3> S+ 0 0 113 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.853 115.0 54.7 -57.4 -39.6 27.9 -5.9 -1.9 87 87 A A H 3> S+ 0 0 41 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.867 110.9 46.4 -61.1 -37.6 28.5 -2.5 -0.3 88 88 A A H <> S+ 0 0 0 -3,-0.6 4,-2.0 2,-0.2 -1,-0.2 0.871 109.8 52.0 -74.7 -39.6 25.5 -3.0 2.0 89 89 A D H < S+ 0 0 93 -4,-2.1 4,-0.5 2,-0.2 -2,-0.2 0.909 110.0 50.7 -61.3 -41.8 26.4 -6.5 3.0 90 90 A L H >< S+ 0 0 70 -4,-2.3 3,-1.7 1,-0.2 4,-0.4 0.934 108.3 52.2 -58.4 -47.3 29.9 -5.2 3.9 91 91 A A H >X S+ 0 0 0 -4,-1.9 4,-2.3 1,-0.3 3,-2.2 0.867 98.6 65.1 -56.4 -36.7 28.2 -2.5 6.0 92 92 A S T 3< S+ 0 0 9 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.675 91.6 64.7 -65.0 -15.1 26.2 -5.2 7.8 93 93 A Q T <4 S+ 0 0 102 -3,-1.7 -1,-0.3 -4,-0.5 -2,-0.2 0.707 115.9 27.3 -72.6 -20.9 29.5 -6.5 9.2 94 94 A Y T <4 S+ 0 0 101 -3,-2.2 2,-0.3 -4,-0.4 3,-0.3 0.747 113.4 55.4-115.1 -34.2 29.9 -3.2 11.1 95 95 A V S < S+ 0 0 15 -4,-2.3 -1,-0.1 1,-0.2 -21,-0.1 -0.813 106.2 6.5-113.9 149.4 26.4 -1.7 11.9 96 96 A F S > S+ 0 0 21 -2,-0.3 3,-1.7 1,-0.1 -1,-0.2 0.731 71.5 148.4 60.1 29.1 23.3 -2.9 13.7 97 97 A R T 3 + 0 0 183 1,-0.3 -1,-0.1 -3,-0.3 -2,-0.1 0.762 64.8 62.1 -64.6 -26.2 25.0 -6.1 14.7 98 98 A S T 3 S+ 0 0 117 3,-0.0 -1,-0.3 2,-0.0 -2,-0.1 0.456 75.9 119.7 -81.4 -2.0 22.9 -6.3 17.9 99 99 A A < - 0 0 21 -3,-1.7 -20,-0.2 1,-0.1 -21,-0.1 -0.374 69.9-131.6 -58.5 141.6 19.7 -6.6 15.9 100 100 A R S S+ 0 0 212 -22,-1.7 2,-0.3 1,-0.2 -21,-0.2 0.818 87.9 9.6 -68.9 -31.4 17.9 -9.8 16.6 101 101 A R E -e 79 0A 141 -23,-1.4 -21,-2.4 2,-0.0 2,-0.5 -0.989 66.1-143.2-145.8 156.4 17.5 -10.5 12.9 102 102 A K E -e 80 0A 98 -2,-0.3 2,-0.5 -23,-0.2 -21,-0.2 -0.986 12.3-164.5-122.1 122.9 18.8 -9.1 9.6 103 103 A I E -e 81 0A 31 -23,-3.1 -21,-1.9 -2,-0.5 2,-0.6 -0.911 11.8-146.1-104.1 130.1 16.6 -8.9 6.5 104 104 A T E -e 82 0A 69 -2,-0.5 -21,-0.2 -23,-0.2 -20,-0.1 -0.875 26.4-124.9 -91.8 120.7 18.2 -8.3 3.2 105 105 A L - 0 0 1 -23,-3.0 2,-0.7 -2,-0.6 -21,-0.1 -0.300 19.4-115.5 -63.0 149.7 15.8 -6.2 1.1 106 106 A P S S+ 0 0 75 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.065 92.3 44.2 -84.0 38.1 14.9 -7.7 -2.3 107 107 A Y S S- 0 0 16 -2,-0.7 -23,-2.6 -22,-0.0 -2,-0.1 -0.961 82.3-107.7-165.9 157.6 16.6 -4.9 -4.3 108 108 A S - 0 0 21 -2,-0.3 -23,-0.1 -25,-0.3 -26,-0.0 -0.290 39.2-107.3 -78.6 175.7 19.7 -2.8 -4.4 109 109 A G S S+ 0 0 16 -2,-0.1 -38,-0.1 4,-0.1 2,-0.1 0.420 77.7 117.1 -89.7 0.5 19.7 0.9 -3.4 110 110 A N S > S- 0 0 76 1,-0.1 4,-2.2 4,-0.0 3,-0.4 -0.418 74.1-117.7 -75.3 147.9 20.0 2.4 -6.8 111 111 A Y H > S+ 0 0 34 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.840 110.1 55.4 -52.6 -41.9 17.2 4.6 -8.1 112 112 A E H > S+ 0 0 129 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.929 112.1 41.8 -61.1 -46.0 16.3 2.3 -11.1 113 113 A R H > S+ 0 0 144 -3,-0.4 4,-2.3 2,-0.2 -1,-0.2 0.871 114.1 51.5 -70.1 -39.1 15.8 -0.8 -8.9 114 114 A L H X S+ 0 0 0 -4,-2.2 4,-2.7 2,-0.2 -1,-0.2 0.896 109.7 50.2 -62.7 -42.3 13.9 1.0 -6.2 115 115 A Q H X>S+ 0 0 22 -4,-2.4 4,-1.5 -5,-0.2 5,-1.4 0.860 109.9 50.9 -64.2 -38.5 11.6 2.6 -8.8 116 116 A I H <5S+ 0 0 120 -4,-1.7 -2,-0.2 -5,-0.2 -1,-0.2 0.937 113.8 44.2 -62.5 -47.9 10.9 -0.9 -10.2 117 117 A A H <5S+ 0 0 30 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.894 114.9 48.5 -64.1 -40.5 10.2 -2.3 -6.8 118 118 A A H <5S- 0 0 20 -4,-2.7 -1,-0.2 2,-0.2 -2,-0.2 0.733 107.0-128.6 -72.4 -24.2 8.0 0.7 -5.9 119 119 A G T <5S+ 0 0 67 -4,-1.5 -3,-0.2 -5,-0.2 -4,-0.1 0.639 78.1 66.5 83.8 16.2 6.1 0.5 -9.2 120 120 A K S - 0 0 47 0, 0.0 3,-2.2 0, 0.0 4,-0.2 -0.476 37.3-114.4 -75.4 155.0 9.4 6.6 -11.0 122 122 A R G > S+ 0 0 7 1,-0.3 3,-0.8 2,-0.2 64,-0.0 0.627 110.6 77.8 -72.9 -8.8 10.3 9.1 -8.4 123 123 A E G 3 S+ 0 0 93 1,-0.2 -1,-0.3 57,-0.1 57,-0.1 0.766 101.2 43.1 -57.5 -26.7 8.9 11.9 -10.7 124 124 A K G < S+ 0 0 135 -3,-2.2 -1,-0.2 56,-0.1 -2,-0.2 0.407 95.4 90.9-101.2 -2.7 5.5 10.6 -9.5 125 125 A I S < S- 0 0 15 -3,-0.8 54,-0.1 -4,-0.2 -1,-0.0 -0.865 74.5-132.4-102.1 112.9 6.4 10.2 -5.7 126 126 A P - 0 0 58 0, 0.0 54,-0.3 0, 0.0 2,-0.3 -0.320 25.1-165.8 -59.6 142.7 5.7 13.3 -3.6 127 127 A I B +H 179 0D 2 52,-2.0 52,-2.2 50,-0.1 2,-0.3 -0.854 29.7 102.6-127.1 166.8 8.5 14.3 -1.3 128 128 A G S > S- 0 0 0 -2,-0.3 4,-1.7 50,-0.2 47,-0.2 -0.892 82.7 -62.3 146.9-178.3 8.6 16.7 1.7 129 129 A L H > S+ 0 0 5 45,-2.1 4,-2.4 42,-0.4 46,-0.2 0.893 132.2 51.5 -71.8 -39.3 8.7 16.5 5.5 130 130 A P H > S+ 0 0 42 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.929 110.0 50.7 -60.2 -41.1 5.3 14.8 5.7 131 131 A A H > S+ 0 0 8 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.865 108.8 52.1 -61.4 -36.9 6.4 12.3 3.1 132 132 A L H X S+ 0 0 0 -4,-1.7 4,-2.5 2,-0.2 -1,-0.2 0.905 106.9 52.2 -66.8 -41.6 9.5 11.7 5.3 133 133 A D H X S+ 0 0 42 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.924 111.9 47.1 -55.8 -45.6 7.3 11.1 8.3 134 134 A T H X S+ 0 0 81 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.891 110.1 53.3 -60.7 -43.2 5.4 8.5 6.2 135 135 A A H X S+ 0 0 2 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.919 108.9 47.7 -61.7 -46.1 8.6 6.9 5.1 136 136 A I H X S+ 0 0 1 -4,-2.5 4,-1.1 1,-0.2 -1,-0.2 0.949 112.6 49.7 -59.3 -49.4 9.9 6.4 8.6 137 137 A S H >< S+ 0 0 45 -4,-2.1 3,-0.5 1,-0.2 4,-0.4 0.895 110.9 49.6 -57.1 -44.1 6.6 5.0 9.7 138 138 A T H >< S+ 0 0 42 -4,-2.6 3,-1.2 1,-0.2 -1,-0.2 0.897 107.7 53.4 -61.9 -42.7 6.6 2.6 6.7 139 139 A L H 3< S+ 0 0 1 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.689 90.7 76.9 -71.5 -16.5 10.1 1.3 7.4 140 140 A L T << S+ 0 0 26 -4,-1.1 2,-0.4 -3,-0.5 -1,-0.2 0.791 103.2 36.2 -62.7 -28.6 9.2 0.5 11.0 141 141 A H S < S- 0 0 145 -3,-1.2 -1,-0.2 -4,-0.4 6,-0.1 -0.986 100.7-102.9-132.8 127.6 7.4 -2.7 9.8 142 142 A Y + 0 0 100 -2,-0.4 2,-0.2 -3,-0.1 -3,-0.1 -0.125 55.2 142.0 -57.7 126.6 8.6 -4.8 6.9 143 143 A D > - 0 0 85 1,-0.0 4,-3.2 -4,-0.0 5,-0.2 -0.683 31.4-161.1-160.3 99.9 6.8 -4.4 3.6 144 144 A S H > S+ 0 0 32 1,-0.2 4,-1.6 2,-0.2 -1,-0.0 0.844 88.9 47.0 -64.5 -37.8 9.3 -4.5 0.7 145 145 A T H > S+ 0 0 85 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.939 117.9 42.2 -67.0 -47.1 7.1 -2.9 -1.9 146 146 A A H > S+ 0 0 38 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.883 111.4 57.5 -64.1 -39.9 6.1 -0.0 0.5 147 147 A A H X S+ 0 0 1 -4,-3.2 4,-2.9 1,-0.2 -1,-0.2 0.831 97.8 60.7 -62.2 -34.9 9.7 0.2 1.7 148 148 A A H X S+ 0 0 0 -4,-1.6 4,-1.9 2,-0.2 -1,-0.2 0.940 109.1 42.2 -57.1 -48.8 11.0 0.9 -1.8 149 149 A G H X S+ 0 0 17 -4,-1.1 4,-2.0 2,-0.2 -2,-0.2 0.908 114.2 51.6 -63.6 -43.5 8.8 4.0 -2.1 150 150 A A H X S+ 0 0 7 -4,-2.2 4,-2.9 1,-0.2 -2,-0.2 0.899 109.4 50.3 -60.5 -42.0 9.7 5.1 1.4 151 151 A L H X S+ 0 0 0 -4,-2.9 4,-3.0 2,-0.2 5,-0.2 0.869 105.9 55.4 -68.0 -35.5 13.4 4.7 0.7 152 152 A L H X S+ 0 0 0 -4,-1.9 4,-1.5 -5,-0.2 -1,-0.2 0.922 113.1 43.0 -60.3 -42.1 13.1 6.8 -2.5 153 153 A V H X S+ 0 0 8 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.929 114.8 50.3 -65.6 -46.3 11.6 9.5 -0.2 154 154 A L H X S+ 0 0 0 -4,-2.9 4,-0.8 1,-0.2 5,-0.3 0.911 109.4 49.4 -59.4 -48.0 14.2 8.9 2.5 155 155 A I H <>S+ 0 0 17 -4,-3.0 5,-2.1 1,-0.2 3,-0.4 0.899 114.5 44.7 -60.7 -43.4 17.2 9.1 0.1 156 156 A Q H <>S+ 0 0 0 -4,-1.5 5,-0.6 -5,-0.2 -1,-0.2 0.834 112.9 49.0 -73.4 -34.8 16.1 12.4 -1.5 157 157 A T H <5S+ 0 0 0 -4,-2.2 -1,-0.2 3,-0.1 -2,-0.2 0.513 128.3 21.2 -85.0 -5.4 15.1 14.1 1.7 158 158 A T T X5S+ 0 0 1 -4,-0.8 4,-2.3 -3,-0.4 5,-0.2 0.556 130.5 27.8-119.6 -80.0 18.5 13.3 3.4 159 159 A A H >5S+ 0 0 2 -5,-0.3 4,-2.1 -4,-0.2 -3,-0.2 0.898 124.3 45.6 -54.7 -50.2 21.4 12.4 1.1 160 160 A E H > S+ 0 0 66 71,-2.5 4,-2.7 -2,-0.4 5,-0.2 0.854 100.1 60.3 -60.6 -35.4 21.4 23.3 -1.4 166 166 A Y H > S+ 0 0 37 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.911 106.3 46.0 -56.4 -43.8 18.7 23.6 -4.1 167 167 A I H > S+ 0 0 0 -3,-0.3 4,-2.1 -7,-0.3 -6,-0.2 0.918 110.1 53.2 -70.0 -41.9 17.3 20.2 -3.0 168 168 A E H X S+ 0 0 7 -4,-2.1 4,-2.2 -7,-0.5 -2,-0.2 0.935 111.1 47.7 -52.5 -48.3 17.5 21.1 0.7 169 169 A Q H X S+ 0 0 91 -4,-2.7 4,-2.0 1,-0.2 -2,-0.2 0.864 107.4 55.7 -64.0 -37.6 15.5 24.3 -0.2 170 170 A Q H X S+ 0 0 17 -4,-2.1 4,-0.7 2,-0.2 -1,-0.2 0.889 109.6 46.2 -61.1 -40.4 12.9 22.3 -2.2 171 171 A I H >< S+ 0 0 0 -4,-2.1 3,-0.6 2,-0.2 -42,-0.4 0.874 108.5 55.7 -70.9 -37.3 12.3 20.1 0.9 172 172 A Q H >< S+ 0 0 47 -4,-2.2 3,-1.2 1,-0.2 -2,-0.2 0.878 104.6 53.5 -60.4 -37.2 12.0 23.2 3.1 173 173 A E H 3< S+ 0 0 138 -4,-2.0 3,-0.3 1,-0.3 -1,-0.2 0.747 108.9 51.6 -66.0 -24.0 9.3 24.5 0.7 174 174 A R T << S+ 0 0 7 -4,-0.7 -45,-2.1 -3,-0.6 -1,-0.3 -0.137 71.5 121.9-104.0 34.4 7.6 21.1 1.3 175 175 A A S < S+ 0 0 8 -3,-1.2 -1,-0.2 -47,-0.2 -2,-0.1 0.808 92.6 13.0 -66.4 -32.8 7.7 21.3 5.1 176 176 A Y S S+ 0 0 163 -3,-0.3 2,-0.3 1,-0.3 -1,-0.2 0.296 131.1 45.4-128.8 5.8 3.9 21.0 5.5 177 177 A R S S- 0 0 181 -50,-0.1 -1,-0.3 -4,-0.1 -48,-0.1 -0.900 74.4-136.0-153.1 120.2 2.8 19.9 2.0 178 178 A D + 0 0 51 -2,-0.3 2,-0.3 -50,-0.1 -50,-0.2 -0.402 25.4 174.2 -71.8 151.5 4.4 17.2 -0.1 179 179 A E B -H 127 0D 97 -52,-2.2 -52,-2.0 -54,-0.1 3,-0.1 -0.961 38.5 -97.1-154.1 145.0 5.0 17.7 -3.8 180 180 A V - 0 0 55 -2,-0.3 -57,-0.1 -54,-0.3 -56,-0.1 -0.247 58.0 -87.8 -57.2 150.4 6.7 15.6 -6.5 181 181 A P - 0 0 10 0, 0.0 -1,-0.1 0, 0.0 -14,-0.0 -0.290 43.9-107.9 -62.4 146.2 10.3 16.7 -7.1 182 182 A S > - 0 0 28 1,-0.1 4,-2.0 -3,-0.1 5,-0.2 -0.303 28.7-112.1 -63.6 156.4 11.0 19.5 -9.6 183 183 A S H > S+ 0 0 81 1,-0.2 4,-2.5 2,-0.2 33,-0.2 0.872 121.6 57.3 -59.0 -34.9 12.6 18.3 -12.9 184 184 A A H > S+ 0 0 5 33,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.888 103.5 52.8 -61.2 -41.1 15.7 20.3 -11.7 185 185 A T H > S+ 0 0 1 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.948 110.7 45.8 -58.4 -51.5 15.8 18.2 -8.5 186 186 A I H X S+ 0 0 11 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.906 112.4 53.1 -57.2 -43.6 15.8 14.9 -10.6 187 187 A S H X S+ 0 0 16 -4,-2.5 4,-1.0 1,-0.2 -2,-0.2 0.913 109.5 46.5 -60.1 -47.0 18.4 16.4 -12.9 188 188 A L H X S+ 0 0 9 -4,-2.6 4,-0.7 2,-0.2 3,-0.5 0.904 111.0 52.5 -64.2 -43.4 20.8 17.3 -10.0 189 189 A E H >< S+ 0 0 11 -4,-2.4 3,-0.9 1,-0.2 4,-0.3 0.936 112.7 44.9 -55.1 -48.2 20.3 13.8 -8.4 190 190 A N H 3< S+ 0 0 104 -4,-2.4 4,-0.3 1,-0.2 -1,-0.2 0.673 116.1 47.7 -70.0 -18.8 21.2 12.2 -11.7 191 191 A S H 3X S+ 0 0 18 -4,-1.0 4,-3.5 -3,-0.5 5,-0.3 0.373 78.3 99.9-105.7 1.6 24.2 14.5 -12.3 192 192 A W H S+ 0 0 46 -4,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.946 117.3 46.5 -59.8 -51.3 28.6 11.9 -10.0 194 194 A G H > S+ 0 0 31 -4,-0.3 4,-2.5 2,-0.2 -2,-0.2 0.914 114.8 46.3 -57.3 -48.2 29.2 13.7 -13.3 195 195 A L H X S+ 0 0 0 -4,-3.5 4,-2.5 2,-0.2 5,-0.2 0.909 111.2 52.0 -62.7 -45.0 29.3 17.1 -11.6 196 196 A S H X S+ 0 0 0 -4,-2.7 4,-1.6 -5,-0.3 -2,-0.2 0.920 112.2 47.5 -56.5 -44.9 31.7 15.8 -8.9 197 197 A K H X S+ 0 0 81 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.952 113.1 45.9 -60.7 -53.5 34.0 14.4 -11.6 198 198 A Q H X S+ 0 0 13 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.835 109.3 54.6 -65.1 -35.9 34.0 17.5 -13.8 199 199 A I H X S+ 0 0 1 -4,-2.5 4,-0.5 2,-0.2 -1,-0.2 0.889 113.0 44.3 -62.9 -39.1 34.6 19.9 -10.8 200 200 A Q H >< S+ 0 0 13 -4,-1.6 3,-0.9 -5,-0.2 4,-0.3 0.887 112.1 51.5 -71.9 -39.1 37.7 17.7 -9.9 201 201 A L H >< S+ 0 0 60 -4,-2.6 3,-0.8 1,-0.2 -2,-0.2 0.800 100.9 64.2 -66.0 -29.6 38.9 17.5 -13.6 202 202 A A H ><>S+ 0 0 0 -4,-1.9 5,-2.4 1,-0.2 3,-2.2 0.753 80.8 83.5 -63.3 -26.1 38.6 21.4 -13.7 203 203 A Q T <<5S+ 0 0 99 -3,-0.9 3,-0.3 -4,-0.5 -1,-0.2 0.818 105.4 25.8 -47.4 -43.7 41.4 21.6 -11.1 204 204 A G T < 5S+ 0 0 68 -3,-0.8 -1,-0.3 -4,-0.3 -2,-0.2 0.039 115.6 67.7-109.5 23.3 44.1 21.3 -13.7 205 205 A N T X 5S- 0 0 37 -3,-2.2 3,-1.7 3,-0.0 -2,-0.2 -0.065 116.2 -97.8-132.8 30.0 42.1 22.6 -16.6 206 206 A N T 3 5S- 0 0 162 -3,-0.3 -3,-0.2 1,-0.3 3,-0.1 0.803 80.7 -55.6 57.9 35.5 41.7 26.3 -15.5 207 207 A G T 3 - 0 0 51 4,-3.1 3,-2.2 -2,-0.5 -33,-0.2 -0.247 33.5 -84.1 -88.3 179.2 17.1 24.5 -14.4 218 218 A S T 3 S+ 0 0 89 1,-0.3 -35,-0.1 2,-0.1 -1,-0.1 0.590 127.8 53.7 -59.5 -13.3 14.4 25.8 -12.0 219 219 A K T 3 S- 0 0 167 2,-0.2 -1,-0.3 -36,-0.0 3,-0.1 0.202 121.0-103.2-106.4 13.4 12.2 26.8 -14.9 220 220 A G S < S+ 0 0 53 -3,-2.2 2,-0.4 1,-0.3 -2,-0.1 0.571 79.1 138.5 74.7 10.8 12.2 23.4 -16.7 221 221 A N - 0 0 96 -4,-0.0 -4,-3.1 1,-0.0 2,-0.4 -0.757 54.0-126.4 -95.7 132.5 14.8 24.7 -19.2 222 222 A R E +J 216 0F 156 -2,-0.4 2,-0.3 -6,-0.2 -6,-0.3 -0.607 35.8 175.0 -79.9 128.5 17.7 22.6 -20.2 223 223 A V E -J 215 0F 55 -8,-3.5 -8,-3.0 -2,-0.4 2,-0.4 -0.910 27.1-122.7-133.1 160.0 21.2 24.2 -19.8 224 224 A Q E -J 214 0F 98 -2,-0.3 2,-0.6 -10,-0.2 -10,-0.2 -0.892 12.6-153.3-106.2 131.8 24.8 23.3 -20.2 225 225 A I E +J 213 0F 9 -12,-3.0 -12,-2.3 -2,-0.4 3,-0.1 -0.920 25.3 161.1-102.9 119.2 27.4 23.6 -17.3 226 226 A T E + 0 0 61 -2,-0.6 -17,-2.8 -14,-0.2 2,-0.3 0.557 56.2 14.2-116.6 -14.8 30.9 24.1 -18.8 227 227 A N E > S-J 208 0F 47 -19,-0.3 3,-1.5 -17,-0.0 -19,-0.2 -0.968 78.7 -93.6-159.5 170.2 33.0 25.6 -15.9 228 228 A V T 3 S+ 0 0 21 -21,-2.6 -20,-0.1 -2,-0.3 -21,-0.1 0.484 106.8 76.3 -73.2 -4.6 33.3 26.3 -12.2 229 229 A T T 3 S+ 0 0 110 -22,-0.2 -1,-0.3 4,-0.1 -21,-0.1 0.579 72.1 111.5 -80.1 -9.5 31.8 29.8 -12.4 230 230 A S S X> S- 0 0 27 -3,-1.5 4,-2.5 1,-0.1 3,-0.9 -0.309 80.2-121.1 -63.8 146.4 28.3 28.3 -12.8 231 231 A N H 3>>S+ 0 0 121 1,-0.3 4,-2.3 2,-0.2 5,-1.8 0.795 111.6 64.8 -58.7 -30.0 25.9 28.8 -9.9 232 232 A V H 34>S+ 0 0 19 3,-0.2 5,-2.8 1,-0.2 -1,-0.3 0.888 112.8 33.9 -60.6 -37.6 25.6 25.0 -9.6 233 233 A V H <45S+ 0 0 5 -3,-0.9 -2,-0.2 -6,-0.2 -1,-0.2 0.886 122.9 43.5 -84.0 -42.8 29.3 24.9 -8.6 234 234 A T H <5S+ 0 0 88 -4,-2.5 -3,-0.2 1,-0.1 -2,-0.2 0.790 135.7 5.2 -76.8 -27.8 29.6 28.2 -6.7 235 235 A S T <5S+ 0 0 66 -4,-2.3 -3,-0.2 -5,-0.2 -70,-0.2 0.722 124.4 46.9-124.7 -40.1 26.3 28.0 -4.7 236 236 A N T - 0 0 13 -175,-0.5 3,-2.1 -2,-0.4 -45,-0.1 -0.353 17.8-129.9 -60.4 135.1 35.8 11.5 -5.1 243 243 A T G > S+ 0 0 52 1,-0.3 3,-1.5 2,-0.2 -1,-0.1 0.713 106.0 69.5 -62.4 -21.5 36.8 10.7 -8.6 244 244 A K G 3 S+ 0 0 154 1,-0.3 -1,-0.3 2,-0.2 -2,-0.1 0.727 100.3 49.2 -65.9 -21.7 38.5 7.5 -7.3 245 245 A N G < 0 0 66 -3,-2.1 -1,-0.3 -178,-0.1 -2,-0.2 0.154 360.0 360.0-100.3 16.8 35.0 6.2 -6.7 246 246 A I < 0 0 91 -3,-1.5 -2,-0.2 -5,-0.1 -3,-0.1 0.693 360.0 360.0-120.5 360.0 33.7 7.2 -10.2