==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 03-JUL-00 1F8Q . COMPND 2 MOLECULE: ALPHA-MOMORCHARIN; . SOURCE 2 ORGANISM_SCIENTIFIC: MOMORDICA CHARANTIA; . AUTHOR G.ZHU,Q.HUANG,M.QIAN,Y.TANG . 246 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11196.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 171 69.5 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 . 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 . 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 . 14 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 12.6 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 . 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 0 2 1 1 1 1 0 1 1 0 0 0 0 0 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 0 1 2 1 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 0 138 0, 0.0 2,-0.4 0, 0.0 49,-0.2 0.000 360.0 360.0 360.0 162.4 43.7 96.9 -24.1 2 2 A V E -a 50 0A 12 47,-1.1 49,-2.3 2,-0.0 2,-0.3 -0.946 360.0-166.5-115.0 135.0 42.9 100.2 -22.5 3 3 A S E -a 51 0A 66 -2,-0.4 2,-0.3 47,-0.2 49,-0.2 -0.829 8.6-174.2-121.3 159.1 44.7 103.4 -23.6 4 4 A F E -a 52 0A 11 47,-2.8 49,-2.7 -2,-0.3 2,-0.5 -0.939 7.6-163.2-155.8 131.9 45.1 107.0 -22.3 5 5 A R E -a 53 0A 151 -2,-0.3 49,-0.2 47,-0.2 50,-0.1 -0.961 10.9-159.5-118.9 124.3 46.7 110.2 -23.5 6 6 A L > + 0 0 0 47,-2.4 3,-1.1 -2,-0.5 2,-1.1 0.581 63.1 112.1 -74.2 -10.9 47.5 113.1 -21.2 7 7 A S T 3 S- 0 0 80 47,-0.3 3,-0.1 1,-0.3 -2,-0.1 -0.515 104.0 -12.9 -68.2 100.8 47.6 115.4 -24.3 8 8 A G T 3 S+ 0 0 71 -2,-1.1 2,-0.7 1,-0.2 -1,-0.3 0.987 91.0 166.9 67.7 57.6 44.6 117.6 -23.8 9 9 A A < - 0 0 3 -3,-1.1 -1,-0.2 166,-0.1 120,-0.1 -0.811 9.7-178.8-109.4 85.1 43.2 115.3 -21.1 10 10 A D > - 0 0 59 -2,-0.7 4,-1.7 -3,-0.1 5,-0.2 -0.292 49.3 -86.4 -75.9 168.9 40.4 117.2 -19.4 11 11 A P H > S+ 0 0 46 0, 0.0 4,-1.8 0, 0.0 161,-0.1 0.747 126.7 55.9 -48.9 -27.9 38.5 115.7 -16.5 12 12 A R H > S+ 0 0 188 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.973 103.8 48.0 -72.6 -54.5 36.1 114.0 -18.9 13 13 A S H > S+ 0 0 26 2,-0.2 4,-2.2 -3,-0.2 -1,-0.2 0.880 113.9 49.3 -53.0 -43.6 38.6 112.0 -21.0 14 14 A Y H X S+ 0 0 0 -4,-1.7 4,-2.6 2,-0.2 3,-0.4 0.978 107.9 53.4 -60.9 -52.9 40.2 110.7 -17.9 15 15 A G H X S+ 0 0 8 -4,-1.8 4,-1.2 1,-0.3 -2,-0.2 0.862 109.8 49.7 -48.9 -40.8 36.8 109.8 -16.5 16 16 A M H X S+ 0 0 112 -4,-2.4 4,-2.1 2,-0.2 -1,-0.3 0.877 108.9 50.5 -67.2 -42.3 36.2 107.8 -19.7 17 17 A F H X S+ 0 0 5 -4,-2.2 4,-2.7 -3,-0.4 -2,-0.2 0.924 109.1 52.0 -62.2 -44.0 39.6 106.0 -19.5 18 18 A I H X S+ 0 0 0 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.815 108.3 52.1 -62.5 -30.2 38.9 105.0 -15.9 19 19 A K H X S+ 0 0 76 -4,-1.2 4,-2.6 -5,-0.3 -1,-0.2 0.937 109.6 48.9 -70.5 -45.2 35.5 103.6 -17.0 20 20 A D H X S+ 0 0 83 -4,-2.1 4,-0.8 2,-0.2 -2,-0.2 0.879 109.2 52.7 -59.0 -43.3 37.3 101.6 -19.7 21 21 A L H >X S+ 0 0 1 -4,-2.7 3,-1.4 1,-0.2 4,-0.9 0.965 110.4 47.5 -59.7 -49.7 39.8 100.3 -17.1 22 22 A R H >< S+ 0 0 17 -4,-2.1 3,-0.9 1,-0.3 -2,-0.2 0.912 111.3 50.7 -56.6 -45.0 36.9 99.2 -14.9 23 23 A N H 3< S+ 0 0 124 -4,-2.6 -1,-0.3 1,-0.2 -2,-0.2 0.581 102.7 62.5 -71.1 -10.9 35.1 97.5 -17.8 24 24 A A H << S+ 0 0 36 -3,-1.4 -1,-0.2 -4,-0.8 -2,-0.2 0.722 82.5 86.8 -84.9 -26.0 38.3 95.6 -18.7 25 25 A L S << S- 0 0 2 -4,-0.9 -1,-0.0 -3,-0.9 42,-0.0 -0.685 79.2-139.1 -80.0 110.2 38.5 93.7 -15.5 26 26 A P + 0 0 52 0, 0.0 12,-0.8 0, 0.0 2,-0.3 -0.280 28.7 166.0 -69.0 154.4 36.4 90.6 -16.0 27 27 A F E -F 37 0B 77 10,-0.2 10,-0.2 1,-0.1 3,-0.1 -0.952 27.6-163.9-159.6 163.7 34.0 89.2 -13.3 28 28 A R E S+ 0 0 191 8,-0.7 2,-0.2 -2,-0.3 9,-0.1 0.653 74.1 49.5-119.9 -46.3 31.2 86.7 -13.1 29 29 A E E - 0 0 110 7,-0.4 7,-2.4 2,-0.0 2,-0.4 -0.473 62.1-150.9 -99.0 163.2 29.5 87.5 -9.8 30 30 A K E -F 35 0B 102 5,-0.2 2,-0.7 -2,-0.2 3,-0.1 -0.996 3.0-156.9-136.4 126.7 28.3 90.7 -8.2 31 31 A V E > S-F 34 0B 2 3,-2.5 3,-1.5 -2,-0.4 169,-0.0 -0.938 84.9 -23.7-108.0 106.0 28.1 91.3 -4.5 32 32 A Y T 3 S- 0 0 86 -2,-0.7 -1,-0.2 1,-0.3 168,-0.0 0.863 124.3 -53.8 59.1 46.0 25.5 94.0 -3.9 33 33 A N T 3 S+ 0 0 130 1,-0.2 -1,-0.3 -3,-0.1 201,-0.0 0.241 115.0 116.3 76.5 -13.2 25.8 95.4 -7.4 34 34 A I E < S-F 31 0B 12 -3,-1.5 -3,-2.5 1,-0.1 -1,-0.2 -0.800 76.9-110.6 -89.7 121.2 29.6 95.8 -6.9 35 35 A P E -F 30 0B 23 0, 0.0 205,-2.0 0, 0.0 2,-0.6 -0.245 26.7-142.2 -52.7 125.2 31.5 93.6 -9.4 36 36 A L E -g 240 0C 10 -7,-2.4 -8,-0.7 203,-0.2 -7,-0.4 -0.850 20.0-127.5 -93.3 121.9 33.3 90.8 -7.6 37 37 A L E -F 27 0B 1 203,-2.6 -10,-0.2 -2,-0.6 205,-0.1 -0.421 30.1 -96.0 -72.1 142.2 36.7 90.1 -9.1 38 38 A L - 0 0 23 -12,-0.8 204,-0.3 28,-0.3 -1,-0.1 -0.155 24.0-128.7 -55.3 147.0 37.6 86.6 -10.2 39 39 A P S S- 0 0 48 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.672 82.9 -15.2 -72.8 -16.7 39.6 84.5 -7.6 40 40 A S - 0 0 71 26,-0.1 2,-0.3 2,-0.0 204,-0.0 -0.967 50.7-162.8-174.8 163.9 42.2 83.6 -10.3 41 41 A V - 0 0 33 -2,-0.3 2,-0.4 -3,-0.1 5,-0.1 -0.935 21.0-138.6-156.0 137.7 43.0 83.5 -14.1 42 42 A S - 0 0 114 -2,-0.3 3,-0.5 3,-0.1 2,-0.1 -0.877 56.4 -2.2-111.2 141.5 45.7 81.5 -15.8 43 43 A G S > S- 0 0 20 -2,-0.4 3,-2.3 1,-0.2 4,-0.1 -0.352 116.4 -26.6 86.7-166.1 48.1 82.5 -18.6 44 44 A A G > S+ 0 0 63 1,-0.3 3,-2.5 2,-0.2 -1,-0.2 0.803 125.0 75.7 -53.2 -32.4 48.2 85.7 -20.5 45 45 A G G 3 S+ 0 0 57 -3,-0.5 -1,-0.3 1,-0.3 -2,-0.1 0.683 81.6 69.4 -55.9 -18.7 44.6 86.2 -19.8 46 46 A R G < S+ 0 0 50 -3,-2.3 20,-1.8 -5,-0.1 2,-0.4 0.544 91.7 76.3 -78.9 -4.4 45.4 87.3 -16.3 47 47 A Y E < - B 0 65A 21 -3,-2.5 2,-0.4 18,-0.2 18,-0.2 -0.924 58.5-160.5-123.6 136.5 47.0 90.5 -17.5 48 48 A L E - B 0 64A 13 16,-2.1 16,-2.7 -2,-0.4 2,-0.6 -0.875 15.3-146.1-106.0 130.5 45.7 93.9 -18.7 49 49 A L E - B 0 63A 40 -2,-0.4 -47,-1.1 14,-0.2 2,-0.4 -0.874 10.5-163.1-105.0 114.3 48.0 96.2 -20.7 50 50 A M E -aB 2 62A 1 12,-2.4 12,-2.0 -2,-0.6 2,-0.8 -0.791 6.1-155.3 -95.2 131.5 47.6 99.9 -20.3 51 51 A H E -aB 3 61A 46 -49,-2.3 -47,-2.8 -2,-0.4 2,-0.4 -0.862 16.2-176.6-110.1 99.2 49.0 102.3 -22.9 52 52 A L E -aB 4 60A 0 8,-1.6 8,-1.1 -2,-0.8 2,-0.4 -0.814 4.2-168.2 -95.9 133.1 49.7 105.6 -21.2 53 53 A F E -aB 5 59A 38 -49,-2.7 -47,-2.4 -2,-0.4 6,-0.2 -0.966 14.0-136.1-120.8 138.4 51.0 108.5 -23.4 54 54 A N > - 0 0 3 4,-2.6 3,-3.0 -2,-0.4 -47,-0.3 -0.338 39.1 -86.5 -87.9 173.4 52.3 111.7 -22.0 55 55 A R T 3 S+ 0 0 90 1,-0.3 -1,-0.1 -49,-0.2 -50,-0.0 0.754 132.5 47.8 -48.2 -28.2 51.6 115.3 -23.2 56 56 A D T 3 S- 0 0 138 2,-0.1 -1,-0.3 -49,-0.0 3,-0.1 0.302 121.1-105.6 -97.5 4.1 54.5 114.8 -25.6 57 57 A G S < S+ 0 0 38 -3,-3.0 -2,-0.1 1,-0.3 2,-0.0 0.226 70.9 141.3 94.5 -16.3 53.4 111.4 -26.9 58 58 A K - 0 0 123 -5,-0.1 -4,-2.6 1,-0.1 -1,-0.3 -0.344 34.0-163.9 -60.7 140.0 56.0 109.2 -25.1 59 59 A T E -B 53 0A 52 -6,-0.2 18,-0.4 -3,-0.1 2,-0.3 -0.681 23.0-172.0-126.9 174.6 54.5 106.0 -23.9 60 60 A I E -B 52 0A 1 -8,-1.1 -8,-1.6 -2,-0.2 2,-0.6 -0.927 23.2-130.9-158.8 147.4 54.9 103.0 -21.6 61 61 A T E -BC 51 75A 18 14,-1.7 14,-2.0 -2,-0.3 2,-0.4 -0.952 20.9-162.8-111.7 118.0 52.9 99.8 -21.3 62 62 A V E -BC 50 74A 0 -12,-2.0 -12,-2.4 -2,-0.6 2,-0.5 -0.797 10.1-141.5 -98.5 141.9 51.9 98.9 -17.8 63 63 A A E -BC 49 73A 0 10,-2.7 9,-3.2 -2,-0.4 10,-0.7 -0.906 17.8-164.7-104.9 132.6 50.8 95.3 -17.0 64 64 A V E -BC 48 71A 1 -16,-2.7 -16,-2.1 -2,-0.5 2,-0.8 -0.866 21.9-129.0-119.5 149.7 47.9 94.8 -14.6 65 65 A D E >>> -BC 47 70A 1 5,-1.9 4,-2.6 -2,-0.3 3,-2.0 -0.875 18.6-154.0 -96.4 106.5 46.7 91.7 -12.7 66 66 A V T 345S+ 0 0 6 -20,-1.8 -28,-0.3 -2,-0.8 -19,-0.1 0.420 87.6 63.7 -62.4 -2.0 43.0 91.5 -13.4 67 67 A T T 345S+ 0 0 0 -21,-0.3 175,-0.4 -30,-0.1 -1,-0.3 0.433 130.0 3.1 -99.2 -6.0 42.2 89.6 -10.2 68 68 A N T <45S- 0 0 26 -3,-2.0 -2,-0.2 2,-0.1 173,-0.1 0.326 94.1-118.0-157.9 2.2 43.3 92.5 -8.0 69 69 A V T <5 + 0 0 1 -4,-2.6 2,-0.3 1,-0.2 -3,-0.2 0.794 56.5 160.8 53.0 39.5 44.2 95.3 -10.4 70 70 A Y E < -C 65 0A 89 -5,-0.8 -5,-1.9 89,-0.1 2,-0.4 -0.644 45.5-114.8 -90.2 142.2 47.9 95.3 -9.2 71 71 A I E +C 64 0A 10 -2,-0.3 -7,-0.2 -7,-0.2 3,-0.1 -0.654 34.0 178.2 -76.8 123.1 50.7 96.9 -11.2 72 72 A M E - 0 0 3 -9,-3.2 11,-1.8 -2,-0.4 2,-0.3 0.843 53.9 -55.8 -94.4 -43.9 53.1 94.1 -12.3 73 73 A G E -CD 63 82A 0 -10,-0.7 -10,-2.7 9,-0.2 -1,-0.4 -0.954 49.7-123.9-178.1-174.9 55.6 95.9 -14.4 74 74 A Y E -CD 62 81A 2 7,-2.0 7,-2.5 -2,-0.3 2,-0.5 -0.958 9.6-127.5-149.6 165.7 56.0 98.2 -17.4 75 75 A L E +CD 61 80A 37 -14,-2.0 -14,-1.7 -2,-0.3 2,-0.4 -0.968 26.2 170.1-122.6 114.5 57.6 98.5 -20.8 76 76 A A E > - D 0 79A 0 3,-1.8 3,-2.9 -2,-0.5 2,-0.4 -0.950 69.3 -29.4-120.1 140.3 59.6 101.7 -21.7 77 77 A D T 3 S- 0 0 95 -2,-0.4 64,-0.0 -18,-0.4 -2,-0.0 -0.342 125.5 -36.8 52.8-106.0 61.7 101.7 -24.9 78 78 A T T 3 S+ 0 0 48 -2,-0.4 22,-1.5 21,-0.1 23,-1.3 0.012 120.9 96.6-132.9 19.6 62.7 98.0 -25.4 79 79 A T E < -De 76 101A 7 -3,-2.9 -3,-1.8 21,-0.2 2,-0.4 -0.845 55.6-158.3-114.4 148.3 63.1 97.4 -21.6 80 80 A S E -De 75 102A 2 21,-1.8 23,-3.4 -2,-0.3 2,-0.4 -0.967 5.6-160.4-125.1 141.0 60.6 95.9 -19.2 81 81 A Y E -De 74 103A 8 -7,-2.5 -7,-2.0 -2,-0.4 2,-0.3 -0.989 8.3-172.0-124.5 134.0 60.8 96.5 -15.5 82 82 A F E -De 73 104A 1 21,-2.3 23,-2.3 -2,-0.4 -9,-0.2 -0.930 28.6-108.0-125.1 147.7 59.1 94.2 -13.0 83 83 A F - 0 0 2 -11,-1.8 2,-1.6 -2,-0.3 25,-0.2 -0.274 41.9-101.6 -65.7 163.5 58.7 94.6 -9.3 84 84 A N S S+ 0 0 90 23,-3.3 -1,-0.1 20,-0.1 3,-0.1 -0.634 84.8 101.3 -89.9 80.9 60.8 92.2 -7.2 85 85 A E S > S- 0 0 40 -2,-1.6 4,-3.0 1,-0.1 3,-0.4 -0.964 79.1-107.6-162.4 150.1 58.0 89.7 -6.4 86 86 A P H > S+ 0 0 112 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.827 115.3 48.2 -42.0 -57.2 56.6 86.2 -7.3 87 87 A A H > S+ 0 0 40 2,-0.2 4,-2.9 1,-0.2 5,-0.1 0.908 114.6 46.8 -58.7 -41.8 53.5 87.4 -9.1 88 88 A A H > S+ 0 0 0 -3,-0.4 4,-2.3 2,-0.2 -1,-0.2 0.961 111.7 51.6 -64.7 -45.9 55.5 89.9 -11.1 89 89 A E H X S+ 0 0 57 -4,-3.0 4,-0.6 1,-0.2 -2,-0.2 0.867 111.7 46.8 -58.7 -36.1 58.1 87.2 -11.9 90 90 A L H >< S+ 0 0 72 -4,-2.7 3,-1.4 -5,-0.2 4,-0.3 0.938 108.8 56.3 -70.8 -42.9 55.2 85.0 -13.1 91 91 A A H >X S+ 0 0 0 -4,-2.9 4,-2.5 1,-0.3 3,-2.4 0.856 95.2 64.9 -55.5 -41.7 53.8 87.8 -15.1 92 92 A S H 3< S+ 0 0 16 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.802 89.6 68.2 -54.1 -30.6 57.1 88.3 -17.0 93 93 A Q T << S+ 0 0 105 -3,-1.4 -1,-0.3 -4,-0.6 -2,-0.2 0.631 116.0 24.1 -63.1 -18.9 56.6 84.9 -18.5 94 94 A Y T <4 S+ 0 0 98 -3,-2.4 3,-0.3 -4,-0.3 2,-0.3 0.656 115.7 61.2-118.1 -33.7 53.6 86.2 -20.5 95 95 A V S < S+ 0 0 11 -4,-2.5 -1,-0.1 1,-0.2 -32,-0.0 -0.706 102.5 10.5-105.4 156.0 54.1 90.0 -20.9 96 96 A F S > S+ 0 0 22 -2,-0.3 3,-0.6 1,-0.1 -1,-0.2 0.906 72.8 152.8 50.3 53.3 56.7 92.1 -22.5 97 97 A R T 3 + 0 0 171 -3,-0.3 -1,-0.1 1,-0.2 -2,-0.1 0.789 65.3 53.7 -82.9 -28.6 58.3 89.1 -24.2 98 98 A D T 3 S+ 0 0 148 3,-0.0 2,-0.4 0, 0.0 -1,-0.2 0.028 81.8 123.8 -93.2 25.5 59.8 90.9 -27.2 99 99 A A < - 0 0 18 -3,-0.6 -20,-0.2 1,-0.2 3,-0.1 -0.729 62.5-140.1 -84.1 134.2 61.5 93.3 -24.8 100 100 A R S S+ 0 0 178 -22,-1.5 2,-0.4 -2,-0.4 -21,-0.2 0.972 82.6 16.5 -61.8 -54.6 65.3 93.3 -25.4 101 101 A R E -e 79 0A 111 -23,-1.3 -21,-1.8 -3,-0.1 2,-0.5 -0.925 66.3-150.4-125.4 148.0 66.2 93.4 -21.7 102 102 A K E -e 80 0A 101 -2,-0.4 2,-0.4 -23,-0.2 -21,-0.2 -0.970 14.1-166.9-116.8 128.6 64.2 92.8 -18.5 103 103 A I E -e 81 0A 54 -23,-3.4 -21,-2.3 -2,-0.5 2,-0.6 -0.904 11.9-147.6-117.5 141.4 65.1 94.6 -15.3 104 104 A T E -e 82 0A 52 -2,-0.4 -21,-0.2 -23,-0.2 -20,-0.1 -0.947 21.7-131.3-110.6 113.2 63.9 93.7 -11.9 105 105 A L - 0 0 1 -23,-2.3 -21,-0.1 -2,-0.6 -24,-0.0 -0.379 22.3-117.9 -60.1 141.9 63.4 96.8 -9.7 106 106 A P S S+ 0 0 80 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.320 89.2 64.4 -66.7 9.8 65.1 96.3 -6.3 107 107 A Y S S- 0 0 7 -22,-0.0 -23,-3.3 37,-0.0 2,-0.2 -0.889 79.0-108.9-135.1 166.7 61.7 96.6 -4.5 108 108 A S - 0 0 24 -2,-0.3 6,-0.1 -25,-0.2 -23,-0.1 -0.479 31.7-114.4 -88.8 162.5 58.3 95.1 -4.1 109 109 A G S S+ 0 0 14 -2,-0.2 2,-0.3 4,-0.1 -38,-0.2 0.242 77.3 105.5 -82.9 11.7 55.0 96.5 -5.4 110 110 A D S > S- 0 0 74 1,-0.1 4,-2.1 0, 0.0 5,-0.2 -0.688 78.6-113.3 -94.4 154.1 53.2 97.3 -2.1 111 111 A Y H > S+ 0 0 35 -2,-0.3 4,-1.9 1,-0.2 5,-0.2 0.862 108.9 55.3 -47.0 -52.2 52.8 100.8 -0.8 112 112 A E H > S+ 0 0 139 1,-0.2 4,-1.9 2,-0.2 3,-0.5 0.924 111.7 40.8 -52.4 -55.4 55.0 100.5 2.2 113 113 A R H > S+ 0 0 92 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.915 112.0 56.7 -60.8 -43.7 58.2 99.4 0.4 114 114 A L H X S+ 0 0 0 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.823 108.7 48.6 -56.6 -33.9 57.6 101.8 -2.5 115 115 A Q H X>S+ 0 0 36 -4,-1.9 4,-1.7 -3,-0.5 5,-0.7 0.896 109.0 51.1 -74.4 -42.0 57.6 104.6 0.1 116 116 A I H <5S+ 0 0 116 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.1 0.945 113.3 46.6 -58.7 -49.5 60.8 103.5 1.8 117 117 A A H <5S+ 0 0 25 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.888 115.1 43.7 -60.8 -45.5 62.5 103.3 -1.5 118 118 A A H <5S- 0 0 23 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.711 104.5-128.6 -75.3 -22.9 61.3 106.8 -2.8 119 119 A G T <5S+ 0 0 58 -4,-1.7 -3,-0.2 -5,-0.1 -4,-0.1 0.545 75.0 82.8 88.2 7.0 62.0 108.4 0.5 120 120 A K S - 0 0 35 0, 0.0 3,-2.6 0, 0.0 4,-0.2 -0.407 35.0-110.3 -70.2 150.5 55.1 108.9 2.3 122 122 A R G > S+ 0 0 10 1,-0.3 3,-1.7 2,-0.2 64,-0.0 0.792 116.3 69.9 -48.6 -30.2 52.2 109.1 -0.1 123 123 A E G 3 S+ 0 0 92 1,-0.3 -1,-0.3 57,-0.1 57,-0.1 0.779 100.6 45.4 -60.8 -28.0 50.9 111.9 2.0 124 124 A K G < S+ 0 0 126 -3,-2.6 -1,-0.3 56,-0.1 -2,-0.2 0.248 93.7 92.3-101.4 11.2 53.7 114.2 0.7 125 125 A I S < S- 0 0 21 -3,-1.7 2,-0.3 -4,-0.2 54,-0.1 -0.912 71.3-135.7-113.6 111.4 53.4 113.3 -2.9 126 126 A P - 0 0 59 0, 0.0 54,-0.3 0, 0.0 2,-0.2 -0.492 25.9-170.3 -65.2 126.7 51.2 115.4 -5.2 127 127 A I B +H 179 0D 0 52,-1.8 52,-1.2 -2,-0.3 2,-0.3 -0.685 27.5 103.2-111.5 165.6 49.1 113.3 -7.5 128 128 A G S > S- 0 0 0 -2,-0.2 4,-1.6 50,-0.2 47,-0.2 -0.900 82.6 -61.8 150.0-176.0 47.0 114.4 -10.5 129 129 A L H > S+ 0 0 1 45,-1.1 4,-2.3 42,-0.5 5,-0.2 0.899 131.0 50.6 -69.2 -39.9 47.0 114.4 -14.2 130 130 A P H > S+ 0 0 31 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.950 112.7 46.0 -63.2 -43.5 50.1 116.7 -14.4 131 131 A A H > S+ 0 0 11 2,-0.2 4,-3.2 1,-0.2 -2,-0.2 0.822 109.8 55.1 -65.7 -31.2 52.0 114.4 -12.0 132 132 A L H X S+ 0 0 0 -4,-1.6 4,-2.7 2,-0.2 -1,-0.2 0.898 107.4 49.9 -66.5 -40.3 50.8 111.4 -14.0 133 133 A D H X S+ 0 0 28 -4,-2.3 4,-1.6 2,-0.2 -2,-0.2 0.872 111.8 48.1 -63.9 -38.0 52.4 113.1 -17.0 134 134 A S H X S+ 0 0 66 -4,-2.0 4,-3.0 2,-0.2 3,-0.3 0.980 111.1 51.3 -64.2 -53.4 55.6 113.5 -15.0 135 135 A A H X S+ 0 0 2 -4,-3.2 4,-1.9 1,-0.3 -2,-0.2 0.865 106.1 52.8 -52.2 -45.9 55.5 109.9 -13.8 136 136 A I H < S+ 0 0 0 -4,-2.7 4,-0.5 1,-0.2 -1,-0.3 0.941 114.8 44.4 -58.1 -41.8 55.1 108.6 -17.4 137 137 A S H >X S+ 0 0 38 -4,-1.6 3,-1.3 -3,-0.3 4,-0.6 0.915 109.1 53.5 -67.2 -46.7 58.2 110.6 -18.2 138 138 A T H >< S+ 0 0 34 -4,-3.0 3,-0.8 1,-0.3 -1,-0.2 0.845 105.8 56.2 -57.2 -35.0 60.3 109.7 -15.2 139 139 A L T 3< S+ 0 0 2 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.663 92.3 71.3 -73.3 -18.4 59.7 106.0 -16.0 140 140 A L T <4 S+ 0 0 46 -3,-1.3 2,-0.5 -4,-0.5 -1,-0.2 0.759 101.0 44.3 -70.0 -28.2 61.2 106.4 -19.5 141 141 A H S << S- 0 0 128 -3,-0.8 -1,-0.2 -4,-0.6 -64,-0.0 -0.924 101.4-113.9-124.5 104.5 64.7 106.8 -18.2 142 142 A Y + 0 0 97 -2,-0.5 2,-0.1 -3,-0.2 -3,-0.1 0.065 51.6 143.0 -38.0 135.9 65.6 104.3 -15.5 143 143 A D >> - 0 0 84 -4,-0.1 4,-2.9 1,-0.0 3,-0.8 -0.513 36.8-149.7-178.3 96.9 66.2 105.5 -11.9 144 144 A S H 3> S+ 0 0 37 1,-0.3 4,-2.1 2,-0.2 5,-0.1 0.771 97.9 40.8 -46.2 -43.3 65.0 103.2 -9.1 145 145 A T H 3> S+ 0 0 85 2,-0.2 4,-0.9 1,-0.2 -1,-0.3 0.751 116.7 50.0 -79.8 -25.1 64.3 105.9 -6.5 146 146 A A H <> S+ 0 0 35 -3,-0.8 4,-1.9 2,-0.2 -2,-0.2 0.849 114.1 46.8 -76.7 -34.3 62.9 108.2 -9.1 147 147 A A H X S+ 0 0 3 -4,-2.9 4,-2.2 2,-0.2 5,-0.3 0.881 102.7 60.8 -74.0 -41.6 60.6 105.3 -10.3 148 148 A A H X S+ 0 0 0 -4,-2.1 4,-1.1 -5,-0.3 -1,-0.2 0.905 112.0 41.9 -53.9 -39.3 59.5 104.3 -6.7 149 149 A G H X S+ 0 0 16 -4,-0.9 4,-1.2 1,-0.2 3,-0.4 0.919 113.0 50.6 -74.2 -43.8 58.1 107.8 -6.5 150 150 A A H X S+ 0 0 8 -4,-1.9 4,-1.8 1,-0.2 -2,-0.2 0.696 109.4 54.2 -66.3 -20.4 56.6 107.8 -10.1 151 151 A L H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.786 100.1 58.1 -83.8 -29.0 55.0 104.5 -9.3 152 152 A L H X S+ 0 0 0 -4,-1.1 4,-1.1 -3,-0.4 -2,-0.2 0.865 113.7 41.4 -67.1 -31.0 53.3 105.8 -6.2 153 153 A V H X S+ 0 0 8 -4,-1.2 4,-2.1 2,-0.2 -2,-0.2 0.890 113.8 50.4 -80.4 -45.6 51.6 108.3 -8.5 154 154 A L H < S+ 0 0 0 -4,-1.8 5,-0.5 1,-0.2 4,-0.4 0.879 111.5 49.0 -61.7 -41.0 50.9 105.9 -11.4 155 155 A I H ><>S+ 0 0 14 -4,-2.4 5,-2.0 1,-0.2 3,-0.6 0.894 113.3 45.8 -67.1 -42.8 49.3 103.4 -9.1 156 156 A Q H 3<5S+ 0 0 0 -4,-1.1 -2,-0.2 -5,-0.2 -1,-0.2 0.812 111.3 50.8 -72.2 -31.2 47.0 106.0 -7.4 157 157 A T T 3<5S+ 0 0 0 -4,-2.1 -1,-0.2 3,-0.1 -2,-0.2 0.422 129.4 15.0 -88.0 0.7 45.9 107.7 -10.6 158 158 A T T <>5S+ 0 0 0 -3,-0.6 4,-2.7 -4,-0.4 5,-0.2 0.456 129.9 36.6-132.9 -69.5 44.8 104.5 -12.3 159 159 A A H >5S+ 0 0 1 -5,-0.5 4,-1.8 -4,-0.4 -3,-0.2 0.970 125.9 37.4 -54.3 -64.9 44.5 101.4 -10.1 160 160 A E H >X -I 237 0E 0 -4,-1.9 4,-1.4 73,-0.2 3,-0.5 -0.949 61.2-154.4-123.7 120.0 37.0 104.0 -5.7 165 165 A K H 3> S+ 0 0 60 71,-2.6 4,-1.1 -2,-0.5 3,-0.4 0.850 99.9 59.3 -51.5 -39.0 34.7 106.4 -7.5 166 166 A Y H >> S+ 0 0 34 1,-0.2 4,-2.0 2,-0.2 3,-1.0 0.936 103.0 49.0 -57.9 -48.5 35.8 108.9 -4.9 167 167 A I H <> S+ 0 0 0 -3,-0.5 4,-1.4 -7,-0.3 -1,-0.2 0.750 104.1 60.9 -66.3 -22.4 39.5 108.7 -5.8 168 168 A E H 3X S+ 0 0 5 -4,-1.4 4,-1.6 -7,-0.4 -1,-0.3 0.787 107.4 46.2 -71.8 -29.1 38.5 109.2 -9.5 169 169 A Q H < S+ 0 0 51 -4,-1.6 3,-0.7 1,-0.2 -2,-0.2 0.763 108.4 50.0 -59.7 -30.2 39.7 114.9 -12.1 173 173 A E H >< S+ 0 0 129 -4,-1.9 3,-0.5 1,-0.2 -1,-0.2 0.884 109.3 50.9 -72.7 -41.6 39.8 118.0 -9.8 174 174 A R T 3< S+ 0 0 15 -4,-1.3 -45,-1.1 -5,-0.3 -1,-0.2 0.045 77.3 119.4 -83.5 28.8 43.6 117.9 -9.8 175 175 A A T < S+ 0 0 1 -3,-0.7 -1,-0.2 1,-0.2 -166,-0.1 0.594 89.0 19.2 -71.4 -14.4 43.5 117.7 -13.6 176 176 A Y S < S+ 0 0 168 -3,-0.5 2,-0.3 1,-0.3 -1,-0.2 0.345 132.4 41.1-134.0 1.5 45.4 120.9 -14.1 177 177 A R S S- 0 0 189 -4,-0.1 -1,-0.3 -50,-0.1 -48,-0.1 -0.952 73.0-139.0-155.1 126.6 47.0 121.2 -10.7 178 178 A D + 0 0 53 -2,-0.3 2,-0.3 -50,-0.1 -50,-0.2 -0.300 24.8 168.2 -80.3 168.4 48.6 118.5 -8.4 179 179 A E B -H 127 0D 102 -52,-1.2 -52,-1.8 -54,-0.1 3,-0.1 -0.854 41.9 -87.5-177.6 144.3 48.1 118.2 -4.7 180 180 A V - 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