==== 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 2PJ0 . 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) . 34373.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 624 68.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 87 9.5 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 . 1 0.1 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 . 0 0.0 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 . 55 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 88 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 285 31.2 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 1 2 0 0 3 0 3 3 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 0 0 3 3 3 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 0.000 360.0 360.0 360.0 161.2 6.5 10.9 57.6 2 7 A H + 0 0 57 10,-0.1 2,-0.3 6,-0.1 5,-0.1 -0.551 360.0 176.0 -80.5 131.6 9.5 10.9 55.3 3 8 A S > - 0 0 43 -2,-0.3 3,-0.6 3,-0.2 5,-0.1 -0.980 29.4-146.5-129.7 147.3 10.7 14.2 53.8 4 9 A Y T 3 S+ 0 0 44 -2,-0.3 72,-0.1 1,-0.2 -1,-0.1 0.613 101.1 52.6 -86.7 -12.6 13.8 14.7 51.6 5 10 A E T 3 S+ 0 0 94 277,-0.1 2,-0.3 2,-0.1 -1,-0.2 0.059 106.4 60.4-109.1 24.2 14.3 18.2 53.0 6 11 A K S < S- 0 0 119 -3,-0.6 2,-0.4 276,-0.1 -3,-0.2 -0.965 90.7-102.2-139.1 158.5 14.3 17.2 56.7 7 12 A Y - 0 0 17 -2,-0.3 2,-0.4 -5,-0.1 -3,-0.1 -0.709 40.4-149.8 -81.2 129.6 16.4 14.8 58.8 8 13 A N - 0 0 10 -2,-0.4 -6,-0.1 60,-0.2 63,-0.0 -0.819 8.6-124.5-106.9 138.7 14.5 11.5 59.3 9 14 A N > - 0 0 51 -2,-0.4 4,-2.3 1,-0.1 3,-0.3 -0.223 36.2 -98.4 -74.5 171.4 14.8 9.2 62.3 10 15 A W H > S+ 0 0 13 1,-0.2 4,-3.3 2,-0.2 5,-0.3 0.891 121.2 56.1 -63.1 -42.6 15.8 5.6 61.8 11 16 A E H > S+ 0 0 145 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.899 112.9 44.7 -54.4 -39.4 12.3 4.2 62.0 12 17 A T H > S+ 0 0 28 -3,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.890 112.2 49.8 -73.3 -40.7 11.4 6.5 59.1 13 18 A I H X S+ 0 0 0 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.911 111.5 50.3 -65.5 -41.3 14.5 5.8 57.1 14 19 A E H X S+ 0 0 60 -4,-3.3 4,-1.5 2,-0.2 -2,-0.2 0.945 110.5 48.0 -59.8 -49.1 13.9 2.1 57.5 15 20 A A H X S+ 0 0 59 -4,-2.1 4,-2.4 -5,-0.3 -1,-0.2 0.892 110.4 54.8 -59.3 -37.1 10.2 2.5 56.3 16 21 A W H X S+ 0 0 12 -4,-2.2 4,-3.1 1,-0.2 5,-0.4 0.877 101.4 55.6 -65.6 -39.7 11.6 4.5 53.4 17 22 A T H X S+ 0 0 0 -4,-2.1 4,-1.0 1,-0.2 -1,-0.2 0.875 112.2 44.3 -63.0 -34.4 14.0 1.8 52.2 18 23 A K H X S+ 0 0 133 -4,-1.5 4,-2.2 2,-0.2 -2,-0.2 0.924 116.5 46.2 -73.1 -43.9 11.0 -0.6 52.0 19 24 A Q H X S+ 0 0 109 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.910 111.8 47.6 -66.4 -46.6 8.8 2.0 50.3 20 25 A V H X S+ 0 0 4 -4,-3.1 4,-0.5 1,-0.2 -1,-0.2 0.829 113.3 50.7 -70.1 -28.7 11.2 3.3 47.7 21 26 A T H >< S+ 0 0 27 -4,-1.0 3,-0.8 -5,-0.4 7,-0.3 0.923 109.9 49.1 -69.9 -45.2 12.1 -0.3 46.8 22 27 A S H 3< S+ 0 0 78 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.850 111.7 50.0 -60.9 -35.4 8.4 -1.3 46.4 23 28 A E H 3< S+ 0 0 123 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.607 118.6 37.0 -80.8 -13.3 7.8 1.8 44.2 24 29 A N XX + 0 0 30 -3,-0.8 4,-2.6 -4,-0.5 3,-1.9 -0.416 65.2 161.5-139.3 60.6 10.8 1.1 41.9 25 30 A P T 34 S+ 0 0 98 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.747 78.4 43.9 -61.3 -29.8 11.1 -2.7 41.5 26 31 A D T 34 S+ 0 0 90 1,-0.1 3,-0.1 23,-0.1 -5,-0.0 0.331 121.8 38.5-100.8 9.8 13.2 -2.6 38.3 27 32 A L T <4 S+ 0 0 8 -3,-1.9 21,-2.9 1,-0.3 2,-0.4 0.565 116.4 42.5-120.1 -24.4 15.6 0.1 39.6 28 33 A I E < +A 47 0A 3 -4,-2.6 2,-0.4 -7,-0.3 -1,-0.3 -0.983 50.4 179.1-135.2 130.4 16.0 -0.8 43.3 29 34 A S E -A 46 0A 65 17,-1.8 17,-3.3 -2,-0.4 2,-0.4 -0.990 17.2-149.4-123.1 141.2 16.5 -3.9 45.3 30 35 A R E +A 45 0A 86 -2,-0.4 2,-0.3 15,-0.2 15,-0.2 -0.888 22.9 157.2-110.1 136.5 16.9 -4.0 49.1 31 36 A T E -A 44 0A 80 13,-2.2 13,-2.9 -2,-0.4 2,-0.4 -0.876 35.7-123.2-133.8 174.6 18.9 -6.4 51.2 32 37 A A E -A 43 0A 55 -2,-0.3 11,-0.2 11,-0.3 3,-0.1 -0.983 12.9-166.5-115.2 137.2 20.5 -6.3 54.7 33 38 A I E - 0 0 33 9,-2.7 2,-0.3 -2,-0.4 10,-0.1 0.454 66.5 -37.1-102.0 -2.4 24.2 -6.9 55.0 34 39 A G E - 0 0 24 8,-0.5 8,-2.8 140,-0.0 2,-0.3 -0.968 61.9 -90.6 171.7-178.7 24.2 -7.4 58.7 35 40 A T E -A 41 0A 50 -2,-0.3 6,-0.2 6,-0.2 138,-0.1 -0.873 35.3-119.9-114.2 156.7 22.8 -6.4 62.0 36 41 A T > - 0 0 1 4,-2.4 3,-1.5 -2,-0.3 71,-0.1 -0.276 38.3 -93.9 -81.3 175.4 24.1 -3.7 64.4 37 42 A F T 3 S+ 0 0 84 1,-0.3 -1,-0.1 2,-0.1 90,-0.1 0.868 129.1 45.6 -56.6 -37.1 25.2 -4.2 68.0 38 43 A L T 3 S- 0 0 103 88,-0.0 -1,-0.3 2,-0.0 88,-0.0 0.257 126.1 -98.1 -98.0 11.0 21.7 -3.3 69.1 39 44 A G S < S+ 0 0 48 -3,-1.5 2,-0.2 1,-0.3 -2,-0.1 0.597 71.8 143.3 93.9 12.3 19.9 -5.5 66.5 40 45 A N - 0 0 40 1,-0.1 -4,-2.4 2,-0.0 2,-0.5 -0.522 53.4-109.2 -83.5 155.4 19.0 -3.0 63.8 41 46 A N E -A 35 0A 60 -6,-0.2 2,-1.3 -2,-0.2 -6,-0.2 -0.735 17.7-141.3 -90.5 125.7 19.2 -4.1 60.2 42 47 A I E - 0 0 0 -8,-2.8 -9,-2.7 -2,-0.5 -8,-0.5 -0.685 27.9-157.8 -86.8 93.7 21.9 -2.6 58.0 43 48 A Y E -A 32 0A 15 -2,-1.3 2,-0.4 -11,-0.2 62,-0.4 -0.432 11.6-166.2 -76.2 142.7 20.1 -2.1 54.8 44 49 A L E -A 31 0A 2 -13,-2.9 -13,-2.2 59,-0.2 2,-0.5 -0.999 8.1-151.3-125.2 132.7 21.8 -1.8 51.4 45 50 A L E -AB 30 102A 0 57,-3.3 57,-3.1 -2,-0.4 2,-0.8 -0.900 2.7-152.8-104.1 129.2 20.0 -0.5 48.3 46 51 A K E -AB 29 101A 82 -17,-3.3 -17,-1.8 -2,-0.5 2,-0.5 -0.890 18.4-169.5-101.3 109.8 21.1 -1.8 44.9 47 52 A V E +AB 28 100A 0 53,-3.4 53,-3.3 -2,-0.8 2,-0.2 -0.886 37.5 70.1-108.8 123.1 20.2 1.0 42.5 48 53 A G S S- 0 0 3 -21,-2.9 48,-0.2 -2,-0.5 51,-0.1 -0.846 85.8 -67.5 154.2 165.1 20.4 0.4 38.8 49 54 A K - 0 0 42 46,-2.9 -22,-0.1 49,-0.4 -2,-0.1 -0.766 62.2-114.5 -83.8 116.9 18.9 -1.5 35.8 50 55 A P + 0 0 97 0, 0.0 -1,-0.1 0, 0.0 48,-0.0 -0.133 53.6 142.0 -57.1 145.8 19.6 -5.2 36.5 51 56 A G > - 0 0 43 3,-0.0 3,-0.6 46,-0.0 2,-0.3 -0.964 51.2 -71.9-168.1 173.4 21.9 -6.9 34.0 52 57 A P T 3 S- 0 0 111 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.629 104.2 -7.8 -80.9 135.0 24.7 -9.5 33.8 53 58 A N T 3 S+ 0 0 165 -2,-0.3 0, 0.0 1,-0.2 0, 0.0 0.776 83.1 174.8 61.1 32.9 28.2 -8.7 35.0 54 59 A K < - 0 0 24 -3,-0.6 -1,-0.2 1,-0.1 44,-0.2 -0.483 28.5-126.2 -74.3 140.5 27.6 -5.0 35.7 55 60 A P - 0 0 21 0, 0.0 44,-2.2 0, 0.0 2,-0.3 -0.371 31.7-151.3 -73.0 165.6 30.3 -2.9 37.4 56 61 A A E -cd 99 185A 2 128,-2.7 130,-3.1 42,-0.2 131,-0.7 -0.955 19.6-145.2-140.9 156.5 29.3 -1.0 40.6 57 62 A I E -cd 100 187A 2 42,-2.4 44,-2.8 -2,-0.3 2,-0.5 -0.993 22.1-148.8-116.5 133.1 30.0 2.0 42.7 58 63 A F E +cd 101 188A 0 129,-2.6 131,-2.9 -2,-0.4 2,-0.4 -0.888 19.0 175.4-104.4 126.4 29.6 1.6 46.4 59 64 A M E -cd 102 189A 4 42,-3.3 44,-2.6 -2,-0.5 2,-0.3 -0.994 4.8-174.3-130.5 130.1 28.5 4.6 48.5 60 65 A D E -cd 103 190A 0 129,-2.0 131,-2.8 -2,-0.4 2,-0.3 -0.897 2.3-170.2-119.3 153.7 27.8 4.7 52.2 61 66 A a E + d 0 191A 0 42,-2.3 45,-1.7 -2,-0.3 46,-0.2 -0.870 60.5 40.9-126.3 165.2 26.4 7.4 54.5 62 67 A G + 0 0 0 129,-0.5 45,-2.1 -2,-0.3 49,-0.2 0.762 53.1 143.5 72.3 27.6 26.1 7.7 58.3 63 68 A F S S+ 0 0 0 128,-0.6 2,-0.5 43,-0.2 47,-0.1 0.938 76.3 46.4 -54.2 -47.1 29.4 6.2 59.4 64 69 A H S > S- 0 0 4 1,-0.1 3,-1.6 3,-0.1 -1,-0.2 -0.879 82.5-142.4-109.6 128.6 29.3 8.9 62.1 65 70 A A T 3 S+ 0 0 0 57,-1.4 57,-0.2 -2,-0.5 -1,-0.1 0.833 95.6 49.8 -61.2 -40.5 26.0 9.4 64.0 66 71 A R T 3 S+ 0 0 38 55,-1.1 2,-1.7 1,-0.2 -1,-0.3 0.558 85.1 91.0 -78.4 -6.7 26.1 13.2 64.4 67 72 A E X> + 0 0 5 -3,-1.6 3,-2.0 1,-0.2 4,-0.7 -0.420 50.5 165.2 -90.9 65.3 26.8 13.9 60.7 68 73 A W H 3> + 0 0 28 -2,-1.7 4,-2.1 207,-0.4 -1,-0.2 0.728 65.0 64.6 -60.2 -30.7 23.1 14.1 59.8 69 74 A I H 3> S+ 0 0 1 206,-0.3 4,-1.6 1,-0.2 -1,-0.3 0.800 97.3 60.5 -66.0 -24.2 23.6 15.7 56.4 70 75 A S H <> S+ 0 0 0 -3,-2.0 4,-1.6 2,-0.2 3,-0.3 0.960 105.1 44.9 -63.3 -53.2 25.4 12.5 55.3 71 76 A H H X S+ 0 0 0 -4,-0.7 4,-1.4 1,-0.2 3,-0.2 0.925 111.5 55.4 -56.8 -44.5 22.3 10.3 55.9 72 77 A A H X S+ 0 0 8 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.872 103.2 55.9 -56.5 -38.4 20.2 12.9 54.2 73 78 A F H X S+ 0 0 0 -4,-1.6 4,-2.8 -3,-0.3 -1,-0.2 0.906 101.7 53.3 -67.5 -40.5 22.4 12.7 51.1 74 79 A a H X S+ 0 0 0 -4,-1.6 4,-1.6 30,-0.2 -1,-0.2 0.879 111.8 47.4 -62.2 -34.3 22.1 9.0 50.5 75 80 A Q H X S+ 0 0 3 -4,-1.4 4,-1.8 2,-0.2 -1,-0.2 0.925 111.5 49.9 -71.5 -43.8 18.3 9.4 50.6 76 81 A W H X S+ 0 0 8 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.906 108.1 54.7 -57.4 -43.4 18.4 12.4 48.2 77 82 A F H X S+ 0 0 2 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.916 105.4 51.9 -59.6 -45.7 20.6 10.4 45.8 78 83 A V H X S+ 0 0 0 -4,-1.6 4,-1.9 1,-0.2 -1,-0.2 0.901 110.4 47.4 -62.5 -41.7 18.2 7.5 45.6 79 84 A R H X S+ 0 0 70 -4,-1.8 4,-2.7 1,-0.2 5,-0.3 0.942 110.2 52.7 -64.2 -44.8 15.2 9.8 44.7 80 85 A E H X S+ 0 0 46 -4,-2.3 4,-2.0 1,-0.2 5,-0.2 0.903 108.5 51.9 -58.4 -40.4 17.2 11.7 42.1 81 86 A A H X S+ 0 0 0 -4,-2.2 4,-1.3 1,-0.2 -1,-0.2 0.925 115.4 39.1 -61.8 -46.5 18.2 8.4 40.4 82 87 A V H < S+ 0 0 28 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.775 116.1 51.3 -79.6 -25.9 14.6 7.1 40.2 83 88 A L H < S+ 0 0 103 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.849 118.7 35.1 -74.5 -34.8 13.1 10.5 39.2 84 89 A T H >X S+ 0 0 25 -4,-2.0 4,-2.7 -5,-0.3 3,-2.5 0.573 83.2 115.8-104.0 -11.3 15.5 11.2 36.4 85 90 A Y T 3< S+ 0 0 58 -4,-1.3 4,-0.1 1,-0.3 7,-0.0 -0.411 88.0 18.2 -59.9 127.9 16.1 7.7 35.0 86 91 A G T 34 S+ 0 0 51 2,-0.4 -1,-0.3 -2,-0.2 3,-0.1 0.328 127.5 56.6 90.7 -8.2 14.8 7.8 31.4 87 92 A Y T <4 S+ 0 0 205 -3,-2.5 2,-0.5 1,-0.3 -2,-0.2 0.694 95.9 54.7-120.6 -43.0 14.8 11.6 31.3 88 93 A E S X S- 0 0 56 -4,-2.7 4,-2.2 1,-0.1 -2,-0.4 -0.875 75.0-142.1-101.7 126.1 18.3 12.8 32.0 89 94 A S H > S+ 0 0 84 -2,-0.5 4,-2.4 1,-0.2 5,-0.2 0.846 93.3 47.4 -60.8 -42.1 20.9 11.3 29.7 90 95 A H H > S+ 0 0 94 2,-0.2 4,-3.3 1,-0.2 -1,-0.2 0.961 114.1 43.6 -66.3 -52.5 23.7 10.8 32.2 91 96 A M H > S+ 0 0 0 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.877 113.3 54.4 -62.9 -34.6 21.8 9.2 35.0 92 97 A T H X S+ 0 0 27 -4,-2.2 4,-1.8 -8,-0.2 -1,-0.2 0.953 111.8 44.0 -61.7 -48.6 20.0 7.0 32.5 93 98 A E H X S+ 0 0 87 -4,-2.4 4,-2.3 -5,-0.2 5,-0.3 0.923 112.2 54.0 -60.0 -45.0 23.4 5.9 31.2 94 99 A F H X S+ 0 0 3 -4,-3.3 4,-2.9 1,-0.2 -2,-0.2 0.944 112.3 41.6 -56.9 -50.3 24.8 5.5 34.7 95 100 A L H < S+ 0 0 0 -4,-2.7 -46,-2.9 1,-0.2 -1,-0.2 0.765 114.5 52.5 -74.6 -23.9 21.9 3.2 35.8 96 101 A N H < S+ 0 0 71 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.879 120.2 32.8 -71.1 -37.8 22.0 1.2 32.5 97 102 A K H < S+ 0 0 84 -4,-2.3 2,-0.3 -5,-0.2 -2,-0.2 0.774 124.1 19.9 -96.8 -31.6 25.7 0.6 32.7 98 103 A L < - 0 0 3 -4,-2.9 2,-0.4 -5,-0.3 -49,-0.4 -0.880 65.4-122.9-134.5 167.7 26.4 0.2 36.4 99 104 A D E - c 0 56A 7 -44,-2.2 -42,-2.4 -2,-0.3 2,-0.6 -0.941 17.2-146.4-107.8 136.0 24.8 -0.5 39.8 100 105 A F E -Bc 47 57A 4 -53,-3.3 -53,-3.4 -2,-0.4 2,-0.8 -0.908 6.9-154.2 -94.7 119.7 25.1 1.9 42.7 101 106 A Y E -Bc 46 58A 21 -44,-2.8 -42,-3.3 -2,-0.6 2,-0.5 -0.871 17.2-170.4 -88.1 114.5 25.2 0.2 46.1 102 107 A V E -Bc 45 59A 0 -57,-3.1 -57,-3.3 -2,-0.8 -42,-0.2 -0.937 14.0-168.4-111.2 120.3 23.8 2.8 48.5 103 108 A L E - c 0 60A 0 -44,-2.6 -42,-2.3 -2,-0.5 3,-0.3 -0.885 7.9-165.0-108.2 99.9 24.1 2.1 52.2 104 109 A P S S+ 0 0 2 0, 0.0 2,-0.3 0, 0.0 -30,-0.2 0.851 72.2 6.1 -60.8 -41.6 21.8 4.7 53.8 105 110 A V + 0 0 1 -62,-0.4 3,-0.3 1,-0.1 -43,-0.2 -0.904 55.3 175.2-147.1 114.3 23.0 4.4 57.4 106 111 A L S S+ 0 0 0 -45,-1.7 2,-1.6 -2,-0.3 3,-0.2 0.949 82.4 48.6 -79.3 -54.2 25.9 2.3 58.6 107 112 A N > + 0 0 0 -45,-2.1 4,-2.1 1,-0.2 -1,-0.2 -0.526 66.6 157.8 -91.0 72.0 26.0 3.3 62.2 108 113 A I H > + 0 0 0 -2,-1.6 4,-2.6 -3,-0.3 5,-0.2 0.892 69.0 54.2 -65.8 -42.2 22.3 2.9 63.0 109 114 A D H > S+ 0 0 3 -3,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.900 111.8 44.6 -62.0 -42.7 22.7 2.6 66.8 110 115 A G H > S+ 0 0 0 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.905 111.0 54.5 -67.4 -40.4 24.7 5.8 67.1 111 116 A Y H X S+ 0 0 1 -4,-2.1 4,-0.9 1,-0.2 3,-0.3 0.930 107.9 49.1 -59.6 -46.2 22.3 7.6 64.8 112 117 A I H >X S+ 0 0 52 -4,-2.6 4,-1.6 1,-0.2 3,-0.8 0.895 107.9 55.7 -58.5 -39.4 19.3 6.6 67.0 113 118 A Y H 3X>S+ 0 0 27 -4,-1.6 4,-2.9 1,-0.3 5,-2.6 0.831 102.1 55.3 -64.0 -33.0 21.3 7.8 70.0 114 119 A T H 3<5S+ 0 0 6 -4,-1.7 -1,-0.3 -3,-0.3 -2,-0.2 0.711 111.6 45.8 -72.5 -19.7 21.7 11.3 68.4 115 120 A W H <<5S+ 0 0 96 -4,-0.9 -2,-0.2 -3,-0.8 -1,-0.2 0.732 125.4 28.8 -87.5 -27.7 17.9 11.4 68.1 116 121 A T H <5S- 0 0 92 -4,-1.6 -2,-0.2 -5,-0.1 -3,-0.2 0.793 135.7 -2.3-106.9 -36.4 17.2 10.2 71.6 117 122 A K T <5S+ 0 0 72 -4,-2.9 2,-0.4 -5,-0.2 -3,-0.2 0.718 121.9 23.1-128.2 -46.4 20.0 11.1 74.0 118 123 A N > < - 0 0 26 -5,-2.6 3,-2.2 1,-0.1 -1,-0.1 -0.847 45.9-165.8-145.0 101.6 23.0 12.9 72.6 119 124 A R T 3 S+ 0 0 58 -2,-0.4 -5,-0.1 1,-0.3 -1,-0.1 0.708 93.0 54.4 -58.3 -23.2 23.0 15.0 69.4 120 125 A M T 3 S+ 0 0 82 -53,-0.0 -1,-0.3 156,-0.0 -54,-0.2 0.254 75.6 132.7-100.2 12.5 26.8 15.0 69.3 121 126 A W < + 0 0 13 -3,-2.2 -55,-1.1 1,-0.1 -7,-0.1 -0.327 23.8 170.5 -64.0 148.1 27.3 11.3 69.5 122 127 A R + 0 0 18 -57,-0.2 -57,-1.4 2,-0.1 -1,-0.1 0.691 46.9 63.9-123.9 -48.3 29.9 9.9 67.0 123 128 A K S S- 0 0 1 1,-0.2 14,-0.2 -59,-0.2 -58,-0.2 0.086 86.5 -86.4 -80.8-176.2 30.8 6.3 67.7 124 129 A T - 0 0 0 12,-2.5 -1,-0.2 -14,-0.1 -2,-0.1 -0.061 37.6-119.5 -70.4-171.7 28.8 3.0 67.6 125 130 A R + 0 0 40 10,-0.1 2,-0.1 2,-0.0 -1,-0.0 0.044 61.8 134.3-124.9 25.1 27.0 2.0 70.8 126 131 A S - 0 0 6 10,-0.1 9,-3.0 1,-0.1 2,-0.1 -0.383 56.2-110.9 -72.6 153.5 28.7 -1.3 71.6 127 132 A T - 0 0 95 7,-0.2 2,-0.4 -2,-0.1 7,-0.1 -0.402 25.1-141.7 -80.3 161.6 29.9 -2.1 75.1 128 133 A N > - 0 0 20 3,-0.5 3,-1.5 5,-0.4 5,-0.1 -0.992 20.2-110.6-130.6 132.1 33.5 -2.3 76.1 129 134 A A T 3 S+ 0 0 107 -2,-0.4 3,-0.1 1,-0.2 0, 0.0 -0.265 97.9 12.0 -59.4 138.8 35.1 -4.8 78.5 130 135 A G T 3 S+ 0 0 94 1,-0.1 2,-0.3 2,-0.0 -1,-0.2 0.584 118.9 65.8 75.2 10.3 36.3 -3.4 81.8 131 136 A T S < S- 0 0 40 -3,-1.5 -3,-0.5 2,-0.1 -1,-0.1 -0.988 70.6-134.3-154.6 161.7 34.6 -0.0 81.5 132 137 A T S S+ 0 0 61 205,-0.4 206,-0.1 -2,-0.3 2,-0.1 0.508 72.2 115.3 -91.2 -8.6 31.2 1.7 81.3 133 138 A b - 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