==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 15-APR-07 2PJA . COMPND 2 MOLECULE: CARBOXYPEPTIDASE B; . SOURCE 2 ORGANISM_SCIENTIFIC: SUS SCROFA; . AUTHOR M.ADLER,M.WHITLOW . 912 3 9 9 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 34367.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 629 69.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 86 9.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 50 5.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 57 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 90 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 287 31.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 1.0 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 3 0 0 3 0 6 0 0 3 0 3 0 0 3 0 3 3 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 0 0 3 4 2 3 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 . 1 0 6 0 0 3 0 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 . 0 0 0 0 0 0 3 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 6 A G 0 0 111 0, 0.0 2,-0.3 0, 0.0 11,-0.1 0.000 360.0 360.0 360.0 20.1 7.1 9.3 57.8 2 7 A H + 0 0 51 10,-0.1 2,-0.3 6,-0.1 5,-0.1 -0.531 360.0 173.9 -80.7 135.4 10.0 9.5 55.4 3 8 A S > - 0 0 44 -2,-0.3 3,-0.9 3,-0.2 5,-0.0 -0.997 30.0-145.8-135.9 142.4 11.2 12.8 53.8 4 9 A Y T 3 S+ 0 0 42 -2,-0.3 72,-0.1 1,-0.2 -1,-0.1 0.645 101.5 53.4 -80.0 -14.8 14.3 13.4 51.7 5 10 A E T 3 S+ 0 0 95 277,-0.1 2,-0.3 2,-0.1 -1,-0.2 0.099 106.3 59.0-106.8 21.3 14.6 16.9 53.0 6 11 A K S < S- 0 0 98 -3,-0.9 2,-0.4 276,-0.1 -3,-0.2 -0.963 91.4-101.3-136.6 160.9 14.6 15.9 56.7 7 12 A Y - 0 0 17 -2,-0.3 2,-0.4 -5,-0.1 62,-0.1 -0.697 41.5-152.4 -80.9 131.8 16.7 13.7 58.8 8 13 A N - 0 0 10 -2,-0.4 -6,-0.1 60,-0.2 63,-0.0 -0.844 10.5-121.3-110.3 141.7 14.9 10.3 59.3 9 14 A N > - 0 0 46 -2,-0.4 4,-2.4 1,-0.1 3,-0.2 -0.220 35.1-101.1 -74.7 171.1 15.3 8.0 62.3 10 15 A W H > S+ 0 0 4 1,-0.2 4,-3.5 2,-0.2 5,-0.3 0.910 121.1 57.5 -62.7 -42.3 16.4 4.4 61.8 11 16 A E H > S+ 0 0 110 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.904 112.5 43.3 -53.5 -42.0 12.9 2.9 62.0 12 17 A T H > S+ 0 0 31 -3,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.877 113.2 49.8 -72.0 -40.9 11.9 5.2 59.1 13 18 A I H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.936 110.5 51.3 -65.0 -44.8 15.1 4.6 57.1 14 19 A E H X S+ 0 0 60 -4,-3.5 4,-1.6 1,-0.2 -2,-0.2 0.931 111.0 47.0 -55.2 -48.2 14.7 0.8 57.5 15 20 A A H X S+ 0 0 57 -4,-1.8 4,-2.5 -5,-0.3 -1,-0.2 0.867 110.7 54.9 -64.4 -34.5 11.0 1.0 56.3 16 21 A W H X S+ 0 0 7 -4,-2.1 4,-3.2 2,-0.2 5,-0.4 0.894 101.9 55.4 -63.8 -41.6 12.3 3.2 53.4 17 22 A T H X S+ 0 0 0 -4,-2.5 4,-1.2 1,-0.2 -1,-0.2 0.902 112.7 44.0 -61.2 -37.0 14.8 0.6 52.3 18 23 A K H X S+ 0 0 113 -4,-1.6 4,-2.6 -5,-0.2 -2,-0.2 0.930 116.9 45.2 -70.6 -45.4 11.9 -1.9 52.0 19 24 A Q H X S+ 0 0 109 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.931 112.2 48.6 -66.8 -47.4 9.6 0.6 50.3 20 25 A V H X S+ 0 0 5 -4,-3.2 4,-0.8 1,-0.2 -1,-0.2 0.866 115.3 46.9 -64.8 -34.1 12.0 2.0 47.8 21 26 A T H >< S+ 0 0 22 -4,-1.2 3,-0.6 -5,-0.4 7,-0.3 0.926 111.0 50.5 -69.7 -46.8 13.0 -1.5 46.8 22 27 A S H 3< S+ 0 0 76 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.859 113.5 46.7 -58.9 -36.5 9.5 -2.8 46.6 23 28 A E H 3< S+ 0 0 123 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.634 122.0 34.0 -83.4 -16.4 8.6 0.2 44.3 24 29 A N XX + 0 0 35 -4,-0.8 3,-2.5 -3,-0.6 4,-2.3 -0.302 64.3 151.9-134.6 52.7 11.6 -0.1 42.0 25 30 A P T 34 S+ 0 0 97 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.667 73.8 59.6 -63.3 -15.7 12.4 -3.9 41.8 26 31 A D T 34 S+ 0 0 90 1,-0.1 3,-0.1 -3,-0.1 -5,-0.0 0.421 119.6 26.6 -91.5 1.9 13.9 -3.4 38.3 27 32 A L T <4 S+ 0 0 9 -3,-2.5 21,-3.0 1,-0.3 2,-0.4 0.491 121.3 46.0-132.3 -19.2 16.5 -0.9 39.7 28 33 A I E < +A 47 0A 5 -4,-2.3 2,-0.4 -7,-0.3 -1,-0.3 -0.992 47.7 179.1-135.7 133.0 17.0 -1.9 43.3 29 34 A S E -A 46 0A 50 17,-1.5 17,-2.8 -2,-0.4 2,-0.4 -0.981 20.1-145.8-122.6 146.4 17.5 -5.1 45.3 30 35 A R E +A 45 0A 72 -2,-0.4 2,-0.3 15,-0.2 15,-0.2 -0.912 22.3 164.6-113.7 135.2 17.9 -5.1 49.1 31 36 A T E -A 44 0A 71 13,-2.4 13,-2.7 -2,-0.4 2,-0.5 -0.903 32.2-126.6-133.4 167.6 20.0 -7.5 51.1 32 37 A A E -A 43 0A 58 -2,-0.3 11,-0.2 11,-0.2 3,-0.1 -0.978 13.4-168.6-113.0 130.8 21.4 -7.5 54.7 33 38 A I E - 0 0 33 9,-2.6 2,-0.3 -2,-0.5 10,-0.1 0.378 64.6 -44.9-100.1 4.9 25.1 -8.0 55.0 34 39 A G E - 0 0 27 8,-0.4 8,-2.7 140,-0.0 2,-0.3 -0.933 62.0 -82.2 157.5-179.3 25.1 -8.6 58.8 35 40 A T E -A 41 0A 55 -2,-0.3 6,-0.2 6,-0.2 138,-0.1 -0.883 36.2-121.2-115.3 150.3 23.7 -7.4 62.1 36 41 A T > - 0 0 0 4,-2.6 3,-1.9 -2,-0.3 71,-0.1 -0.260 40.4 -92.9 -76.7 173.1 24.9 -4.6 64.3 37 42 A F T 3 S+ 0 0 86 1,-0.3 -1,-0.1 2,-0.1 90,-0.1 0.887 130.5 45.5 -52.7 -39.7 26.1 -5.2 67.9 38 43 A L T 3 S- 0 0 104 2,-0.0 -1,-0.3 88,-0.0 88,-0.0 0.270 125.5-100.8 -95.8 11.6 22.5 -4.4 69.1 39 44 A G S < S+ 0 0 48 -3,-1.9 2,-0.2 1,-0.3 -2,-0.1 0.678 70.3 144.9 87.5 17.9 20.9 -6.6 66.4 40 45 A N - 0 0 39 1,-0.1 -4,-2.6 2,-0.0 2,-0.5 -0.607 54.7-104.6 -84.4 153.7 19.8 -4.1 63.8 41 46 A N E -A 35 0A 63 -2,-0.2 2,-1.3 -6,-0.2 -6,-0.2 -0.667 20.0-141.7 -87.5 124.0 20.0 -5.1 60.1 42 47 A I E - 0 0 0 -8,-2.7 -9,-2.6 -2,-0.5 -8,-0.4 -0.677 28.3-158.1 -85.3 94.2 22.8 -3.7 58.0 43 48 A Y E -A 32 0A 16 -2,-1.3 2,-0.4 -11,-0.2 62,-0.4 -0.407 13.4-169.2 -78.4 148.5 21.0 -3.1 54.8 44 49 A L E -A 31 0A 5 -13,-2.7 -13,-2.4 59,-0.2 2,-0.5 -0.995 7.8-154.7-135.5 128.0 22.7 -2.8 51.4 45 50 A L E -AB 30 102A 0 57,-3.0 57,-3.1 -2,-0.4 2,-0.8 -0.918 5.1-151.5-106.3 126.2 20.9 -1.7 48.3 46 51 A K E -AB 29 101A 89 -17,-2.8 -17,-1.5 -2,-0.5 2,-0.6 -0.872 19.3-167.1 -94.0 110.5 22.2 -2.7 44.9 47 52 A V E +AB 28 100A 0 53,-3.3 53,-3.0 -2,-0.8 2,-0.3 -0.881 38.0 73.9-107.3 121.2 21.1 0.1 42.6 48 53 A G S S- 0 0 3 -21,-3.0 48,-0.2 -2,-0.6 51,-0.1 -0.869 86.0 -65.7 159.3 167.1 21.3 -0.5 38.9 49 54 A K - 0 0 50 46,-2.7 -22,-0.1 49,-0.4 -23,-0.1 -0.733 64.9-114.3 -81.2 114.2 19.8 -2.3 35.9 50 55 A P + 0 0 98 0, 0.0 -1,-0.1 0, 0.0 -22,-0.0 -0.115 55.4 135.1 -59.0 145.6 20.3 -6.0 36.6 51 56 A G - 0 0 42 3,-0.0 3,-0.5 46,-0.0 2,-0.2 -0.961 54.3 -66.6-174.1 168.9 22.6 -7.9 34.3 52 57 A P S S- 0 0 107 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.503 102.5 -12.2 -76.4 141.5 25.5 -10.5 34.3 53 58 A N S S+ 0 0 157 -2,-0.2 0, 0.0 1,-0.1 0, 0.0 0.840 80.4 176.0 34.3 64.2 28.9 -9.6 35.7 54 59 A K - 0 0 18 -3,-0.5 44,-0.2 1,-0.1 -1,-0.1 -0.731 29.7-120.8 -89.6 142.8 28.5 -5.9 36.0 55 60 A P - 0 0 29 0, 0.0 44,-2.1 0, 0.0 2,-0.3 -0.269 36.4-152.6 -68.4 171.7 31.3 -3.8 37.6 56 61 A A E -cd 99 185A 1 128,-2.7 130,-3.2 42,-0.2 131,-0.7 -0.981 21.7-142.5-150.0 155.4 30.3 -1.8 40.7 57 62 A I E -cd 100 187A 1 42,-2.5 44,-2.9 -2,-0.3 2,-0.5 -0.989 22.9-147.1-117.1 132.0 30.9 1.3 42.8 58 63 A F E +cd 101 188A 0 129,-2.8 131,-2.9 -2,-0.4 2,-0.4 -0.877 20.6 173.8-101.6 128.2 30.6 0.9 46.6 59 64 A M E -cd 102 189A 2 42,-2.9 44,-2.7 -2,-0.5 2,-0.3 -0.994 5.2-175.2-132.8 127.8 29.3 3.8 48.6 60 65 A D E -cd 103 190A 0 129,-2.1 131,-2.7 -2,-0.4 2,-0.3 -0.892 3.1-169.2-118.2 155.7 28.5 3.9 52.3 61 66 A a E + d 0 191A 0 42,-2.5 45,-1.8 -2,-0.3 46,-0.2 -0.891 60.6 40.7-129.0 163.2 27.0 6.5 54.6 62 67 A G + 0 0 0 129,-0.6 45,-2.1 -2,-0.3 49,-0.2 0.773 53.4 142.3 72.3 28.6 26.7 6.8 58.4 63 68 A F S S+ 0 0 0 128,-0.5 2,-0.5 43,-0.2 47,-0.1 0.948 75.9 47.6 -54.5 -50.0 30.0 5.5 59.6 64 69 A H S > S- 0 0 4 1,-0.1 3,-1.4 3,-0.1 -1,-0.2 -0.858 84.1-141.7-106.2 127.4 29.8 8.2 62.3 65 70 A A T 3 S+ 0 0 0 57,-1.7 57,-0.2 -2,-0.5 -1,-0.1 0.815 95.2 47.6 -59.5 -41.5 26.6 8.5 64.2 66 71 A R T 3 S+ 0 0 30 55,-0.9 2,-2.0 1,-0.2 -1,-0.3 0.564 84.5 92.8 -80.6 -9.7 26.3 12.3 64.5 67 72 A E X> + 0 0 5 -3,-1.4 3,-1.8 1,-0.2 4,-0.8 -0.411 50.4 165.9 -84.8 65.2 27.1 13.1 60.9 68 73 A W H 3> + 0 0 27 -2,-2.0 4,-2.0 207,-0.4 -1,-0.2 0.703 64.9 64.3 -60.6 -27.3 23.4 13.1 59.9 69 74 A I H 3> S+ 0 0 1 206,-0.2 4,-1.8 1,-0.2 -1,-0.3 0.814 97.3 60.2 -68.7 -25.6 23.9 14.7 56.5 70 75 A S H <> S+ 0 0 0 -3,-1.8 4,-1.7 2,-0.2 3,-0.3 0.971 105.6 45.2 -60.8 -54.1 25.8 11.6 55.4 71 76 A H H X S+ 0 0 0 -4,-0.8 4,-1.6 1,-0.2 -2,-0.2 0.917 111.6 54.5 -56.5 -43.7 22.9 9.3 56.1 72 77 A A H X S+ 0 0 8 -4,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.865 103.4 56.5 -60.3 -36.8 20.6 11.8 54.2 73 78 A F H X S+ 0 0 0 -4,-1.8 4,-3.0 -3,-0.3 -1,-0.2 0.932 101.9 52.9 -65.8 -44.7 22.8 11.8 51.2 74 79 A a H X S+ 0 0 0 -4,-1.7 4,-1.8 30,-0.2 -1,-0.2 0.921 111.7 47.5 -57.1 -41.5 22.7 8.0 50.6 75 80 A Q H X S+ 0 0 4 -4,-1.6 4,-1.9 1,-0.2 -1,-0.2 0.941 112.1 49.6 -63.2 -45.3 18.9 8.2 50.7 76 81 A W H X S+ 0 0 5 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.911 107.9 54.6 -57.5 -44.8 18.9 11.2 48.3 77 82 A F H X S+ 0 0 1 -4,-3.0 4,-2.3 1,-0.2 -1,-0.2 0.891 106.2 51.3 -57.4 -43.7 21.3 9.4 45.9 78 83 A V H X S+ 0 0 0 -4,-1.8 4,-2.3 -5,-0.2 5,-0.2 0.920 110.1 48.4 -66.5 -42.3 18.9 6.4 45.6 79 84 A R H X S+ 0 0 63 -4,-1.9 4,-2.9 1,-0.2 5,-0.3 0.933 110.9 50.7 -61.2 -44.9 15.9 8.5 44.8 80 85 A E H X S+ 0 0 42 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.904 109.8 52.3 -59.5 -40.3 17.9 10.4 42.2 81 86 A A H X S+ 0 0 0 -4,-2.3 4,-1.1 -5,-0.2 -1,-0.2 0.954 115.4 38.3 -60.4 -52.0 19.0 7.2 40.6 82 87 A V H < S+ 0 0 19 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.837 117.0 50.5 -73.4 -32.7 15.5 5.7 40.3 83 88 A L H < S+ 0 0 104 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 0.871 117.5 36.6 -71.9 -37.1 13.8 8.9 39.3 84 89 A T H >X S+ 0 0 32 -4,-2.1 4,-2.6 -5,-0.3 3,-2.4 0.543 82.1 120.1 -98.9 -7.3 16.1 9.9 36.5 85 90 A Y T 3< S+ 0 0 52 -4,-1.1 4,-0.1 1,-0.3 7,-0.1 -0.387 86.0 15.7 -59.7 128.9 16.9 6.5 35.1 86 91 A G T 34 S+ 0 0 50 2,-0.4 -1,-0.3 -2,-0.1 3,-0.1 0.201 126.8 58.5 93.7 -15.8 15.8 6.5 31.5 87 92 A Y T <4 S+ 0 0 210 -3,-2.4 2,-0.6 1,-0.2 -2,-0.2 0.728 94.7 56.5-116.5 -38.6 15.5 10.3 31.4 88 93 A E S X S- 0 0 54 -4,-2.6 4,-2.2 1,-0.1 -2,-0.4 -0.896 76.0-144.1-100.5 124.3 19.0 11.7 32.2 89 94 A S H > S+ 0 0 82 -2,-0.6 4,-2.2 1,-0.2 5,-0.2 0.863 93.0 47.8 -61.2 -42.1 21.6 10.2 29.8 90 95 A H H > S+ 0 0 91 2,-0.2 4,-3.1 1,-0.2 -1,-0.2 0.965 114.0 44.0 -64.4 -54.2 24.5 9.9 32.3 91 96 A M H > S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.853 112.1 55.7 -61.7 -32.8 22.6 8.2 35.1 92 97 A T H X S+ 0 0 21 -4,-2.2 4,-1.8 -8,-0.2 -1,-0.2 0.944 112.1 41.6 -64.2 -46.3 20.9 5.9 32.5 93 98 A E H X S+ 0 0 81 -4,-2.2 4,-2.5 -5,-0.2 5,-0.3 0.896 112.1 56.4 -67.1 -39.9 24.3 4.8 31.3 94 99 A F H X S+ 0 0 3 -4,-3.1 4,-2.7 1,-0.2 -2,-0.2 0.947 112.5 40.2 -54.1 -52.2 25.6 4.5 34.8 95 100 A L H < S+ 0 0 0 -4,-2.5 -46,-2.7 1,-0.2 -1,-0.2 0.772 114.4 53.6 -75.1 -26.6 22.9 2.1 35.9 96 101 A N H < S+ 0 0 65 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.908 119.1 33.4 -67.5 -42.6 23.0 0.2 32.6 97 102 A K H < S+ 0 0 104 -4,-2.5 2,-0.3 -5,-0.1 -2,-0.2 0.799 125.2 15.5 -90.7 -31.8 26.7 -0.4 32.8 98 103 A L < - 0 0 3 -4,-2.7 -49,-0.4 -5,-0.3 2,-0.4 -0.856 64.8-120.2-137.2 171.3 27.4 -0.8 36.6 99 104 A D E - c 0 56A 11 -44,-2.1 -42,-2.5 -2,-0.3 2,-0.6 -0.892 15.3-143.6-108.6 144.8 25.8 -1.3 40.0 100 105 A F E -Bc 47 57A 3 -53,-3.0 -53,-3.3 -2,-0.4 2,-0.9 -0.958 8.9-154.2 -99.2 121.5 26.0 1.0 42.9 101 106 A Y E -Bc 46 58A 15 -44,-2.9 -42,-2.9 -2,-0.6 2,-0.6 -0.865 20.1-170.2 -90.5 104.4 26.3 -0.9 46.2 102 107 A V E -Bc 45 59A 0 -57,-3.1 -57,-3.0 -2,-0.9 -42,-0.2 -0.880 16.4-170.7-104.1 118.3 24.7 1.7 48.5 103 108 A L E - c 0 60A 0 -44,-2.7 -42,-2.5 -2,-0.6 3,-0.2 -0.874 7.9-168.3-106.0 98.3 25.0 1.0 52.3 104 109 A P S S+ 0 0 0 0, 0.0 2,-0.3 0, 0.0 -30,-0.2 0.807 71.7 11.7 -65.9 -36.1 22.7 3.8 53.7 105 110 A V + 0 0 0 -62,-0.4 3,-0.3 1,-0.1 -43,-0.2 -0.891 56.1 172.2-144.0 114.3 23.7 3.4 57.4 106 111 A L S S+ 0 0 0 -45,-1.8 2,-1.6 -2,-0.3 3,-0.3 0.951 82.4 46.3 -80.1 -55.1 26.7 1.4 58.6 107 112 A N > + 0 0 1 -45,-2.1 4,-1.9 1,-0.2 -1,-0.2 -0.567 67.5 156.5 -93.5 73.9 26.7 2.4 62.3 108 113 A I H > + 0 0 0 -2,-1.6 4,-2.9 -3,-0.3 5,-0.2 0.895 68.6 55.4 -67.5 -42.9 23.0 2.0 62.9 109 114 A D H > S+ 0 0 3 -3,-0.3 4,-1.8 1,-0.2 -1,-0.2 0.918 111.1 45.0 -60.1 -44.9 23.3 1.5 66.7 110 115 A G H > S+ 0 0 0 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.899 111.1 54.0 -64.0 -40.6 25.2 4.8 67.1 111 116 A Y H X S+ 0 0 1 -4,-1.9 4,-0.9 1,-0.2 3,-0.3 0.933 107.7 49.8 -60.1 -47.3 22.7 6.6 64.8 112 117 A I H >X S+ 0 0 34 -4,-2.9 4,-2.0 1,-0.2 3,-0.9 0.903 107.9 55.1 -56.8 -40.4 19.8 5.4 66.9 113 118 A Y H 3X>S+ 0 0 27 -4,-1.8 4,-2.7 1,-0.3 5,-2.6 0.845 101.5 56.7 -64.2 -32.5 21.7 6.7 70.0 114 119 A T H 3<5S+ 0 0 7 -4,-1.7 -1,-0.3 -3,-0.3 -2,-0.2 0.731 112.5 43.5 -71.5 -19.3 22.0 10.2 68.5 115 120 A W H <<5S+ 0 0 96 -4,-0.9 -2,-0.2 -3,-0.9 -1,-0.2 0.803 124.1 32.3 -88.5 -34.0 18.2 10.2 68.1 116 121 A T H <5S- 0 0 87 -4,-2.0 -2,-0.2 -5,-0.1 -3,-0.2 0.748 136.5 -5.7 -98.8 -27.9 17.4 8.8 71.6 117 122 A K T <5S+ 0 0 81 -4,-2.7 2,-0.4 -5,-0.2 -3,-0.2 0.654 121.3 24.8-137.0 -51.3 20.1 10.0 73.9 118 123 A N > < - 0 0 24 -5,-2.6 3,-1.8 1,-0.1 -2,-0.1 -0.891 44.8-165.3-143.0 107.7 23.1 11.9 72.6 119 124 A R T 3 S+ 0 0 57 -2,-0.4 -5,-0.1 1,-0.3 -1,-0.1 0.686 92.6 53.5 -65.1 -20.8 23.1 13.9 69.4 120 125 A M T 3 S+ 0 0 83 -53,-0.0 -1,-0.3 156,-0.0 -54,-0.2 0.235 75.1 132.1-102.8 13.3 26.9 14.1 69.4 121 126 A W < + 0 0 15 -3,-1.8 -55,-0.9 1,-0.1 -7,-0.1 -0.377 24.8 171.5 -63.2 146.8 27.6 10.4 69.7 122 127 A R + 0 0 17 -57,-0.2 -57,-1.7 2,-0.1 -1,-0.1 0.708 46.6 63.6-122.3 -47.6 30.2 9.2 67.2 123 128 A K S S- 0 0 2 1,-0.2 14,-0.2 -59,-0.2 -58,-0.2 0.099 87.0 -84.8 -80.4-175.5 31.2 5.6 67.8 124 129 A T - 0 0 0 12,-2.3 -1,-0.2 -14,-0.1 -2,-0.1 -0.072 37.4-119.4 -71.3-171.7 29.4 2.3 67.7 125 130 A R + 0 0 43 10,-0.1 2,-0.1 2,-0.0 -1,-0.0 0.030 62.6 132.7-124.4 26.6 27.5 1.1 70.8 126 131 A S - 0 0 5 10,-0.1 9,-3.2 1,-0.1 2,-0.1 -0.437 57.1-111.2 -78.6 152.7 29.3 -2.1 71.6 127 132 A T - 0 0 93 7,-0.2 2,-0.4 -2,-0.1 7,-0.1 -0.395 24.4-143.0 -78.7 160.1 30.4 -2.9 75.1 128 133 A N > - 0 0 22 3,-0.4 3,-1.5 5,-0.4 5,-0.1 -0.994 22.1-109.3-129.1 131.9 34.1 -3.1 76.2 129 134 A A T 3 S+ 0 0 107 -2,-0.4 3,-0.1 1,-0.2 4,-0.1 -0.275 97.8 11.2 -59.1 136.7 35.6 -5.5 78.6 130 135 A G T 3 S+ 0 0 93 1,-0.1 2,-0.3 2,-0.0 -1,-0.2 0.539 117.3 69.2 79.5 6.6 36.7 -4.1 81.9 131 136 A T S < S- 0 0 39 -3,-1.5 -3,-0.4 2,-0.1 -1,-0.1 -0.979 71.6-133.3-149.7 161.6 35.0 -0.7 81.6 132 137 A T S S+ 0 0 57 205,-0.4 206,-0.1 -2,-0.3 -1,-0.1 0.584 73.7 115.0 -86.7 -12.4 31.7 1.0 81.5 133 138 A b - 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