==== 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/HYDROLASE INHIBITOR 03-NOV-95 1BCS . COMPND 2 MOLECULE: SERINE CARBOXYPEPTIDASE II; . SOURCE 2 ORGANISM_SCIENTIFIC: TRITICUM AESTIVUM; . AUTHOR T.L.BULLOCK,S.J.REMINGTON . 413 5 3 1 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15378.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 300 72.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 34 8.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 44 10.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.7 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 . 31 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 49 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 109 26.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 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 2 1 0 1 0 3 0 1 0 2 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 1 3 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 PARALLEL BRIDGES PER LADDER . 3 1 1 2 0 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 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 0 0 0 0 0 0 0 1 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 -4 A H > 0 0 86 0, 0.0 3,-1.7 0, 0.0 4,-0.4 0.000 360.0 360.0 360.0 -62.7 43.9 32.0 93.2 2 -3 A A G > + 0 0 77 1,-0.3 3,-0.6 2,-0.2 0, 0.0 0.752 360.0 62.7 -58.6 -31.0 41.0 34.5 93.0 3 -2 A A G 3 S+ 0 0 79 1,-0.2 -1,-0.3 17,-0.0 18,-0.0 0.722 99.1 53.4 -68.0 -23.7 43.5 37.0 94.2 4 -1 A D G < S+ 0 0 17 -3,-1.7 17,-2.6 2,-0.1 -1,-0.2 0.516 82.2 119.7 -88.1 -9.5 45.6 36.5 91.1 5 0 A R B < -A 20 0A 97 -3,-0.6 2,-0.4 -4,-0.4 15,-0.3 -0.303 60.9-135.9 -58.9 142.0 42.7 37.2 88.9 6 1 A I - 0 0 5 13,-2.7 13,-0.4 1,-0.2 3,-0.1 -0.813 13.1-165.7 -96.4 137.4 43.1 40.1 86.6 7 2 A A - 0 0 87 -2,-0.4 2,-0.3 271,-0.3 -1,-0.2 0.975 65.7 -34.9 -84.7 -55.7 40.3 42.5 86.3 8 3 A R - 0 0 129 270,-0.1 -1,-0.3 6,-0.1 3,-0.1 -0.904 56.7-130.5-162.0 135.3 41.3 44.5 83.2 9 4 A L > - 0 0 15 -2,-0.3 3,-2.8 4,-0.2 74,-0.1 -0.652 44.2 -83.1 -90.3 157.5 44.5 45.6 82.0 10 5 A P T 3 S+ 0 0 20 0, 0.0 -1,-0.1 0, 0.0 265,-0.0 -0.169 116.8 5.1 -51.1 127.5 45.2 49.1 81.0 11 6 A G T 3 S+ 0 0 46 1,-0.2 72,-1.8 71,-0.2 70,-0.0 0.604 95.9 151.6 73.5 7.2 44.0 49.6 77.5 12 7 A Q < - 0 0 13 -3,-2.8 -1,-0.2 70,-0.2 72,-0.1 -0.520 43.2-129.8 -76.5 131.9 42.6 46.2 77.3 13 8 A P - 0 0 41 0, 0.0 2,-0.3 0, 0.0 -4,-0.2 -0.286 37.5 -94.3 -69.8 162.5 39.6 45.4 75.1 14 9 A A + 0 0 79 -6,-0.1 2,-0.2 2,-0.1 -6,-0.1 -0.629 53.7 178.4 -81.3 133.8 36.8 43.6 76.7 15 10 A V - 0 0 43 -2,-0.3 -1,-0.0 2,-0.2 -3,-0.0 -0.764 37.7-120.8-131.6 171.0 36.9 39.8 76.3 16 11 A D S S+ 0 0 99 -2,-0.2 27,-0.5 2,-0.1 2,-0.3 -0.071 84.9 64.8-108.5 36.5 35.1 36.7 77.2 17 14 A F S S- 0 0 12 25,-0.2 2,-0.2 26,-0.1 -2,-0.2 -0.958 74.8-118.0-147.9 162.0 37.8 34.8 79.1 18 15 A D - 0 0 65 -2,-0.3 22,-2.5 23,-0.3 2,-0.3 -0.642 19.3-161.5-100.6 166.1 39.6 35.3 82.3 19 16 A M E - B 0 39A 7 -13,-0.4 -13,-2.7 -2,-0.2 2,-0.3 -0.970 2.3-166.8-139.9 152.5 43.3 35.8 83.1 20 17 A Y E +AB 5 38A 15 18,-2.0 18,-3.5 -2,-0.3 2,-0.3 -0.989 8.2 173.8-136.3 153.5 45.3 35.5 86.2 21 18 A S E + B 0 37A 0 -17,-2.6 2,-0.3 -2,-0.3 16,-0.2 -0.983 20.5 106.4-156.2 154.0 48.8 36.6 87.1 22 19 A G E - B 0 36A 1 14,-1.4 14,-2.4 -2,-0.3 2,-0.3 -0.971 54.8 -58.5 166.2-164.6 50.9 36.6 90.1 23 20 A Y E - B 0 35A 41 -2,-0.3 2,-0.4 12,-0.2 12,-0.2 -0.848 24.4-170.1-116.6 149.8 53.9 35.0 92.0 24 21 A I E - B 0 34A 6 10,-1.9 10,-2.3 -2,-0.3 2,-0.5 -1.000 26.3-128.9-134.0 127.4 54.8 31.6 93.2 25 22 A T E + B 0 33A 69 -2,-0.4 8,-0.3 8,-0.3 3,-0.2 -0.697 27.5 174.4 -79.3 128.3 57.8 31.1 95.4 26 23 A V E S+ 0 0 18 6,-2.5 2,-0.3 -2,-0.5 7,-0.2 0.537 74.2 29.7-107.9 -12.5 60.0 28.4 94.1 27 23AA D E >> - B 0 32A 52 5,-1.8 5,-2.3 1,-0.1 4,-2.0 -0.765 56.7-178.7-151.1 98.3 62.8 28.8 96.6 28 24 A E T 45S+ 0 0 108 -2,-0.3 -1,-0.1 3,-0.2 -2,-0.1 0.962 85.8 53.8 -58.7 -53.8 62.1 30.0 100.1 29 25 A G T 45S+ 0 0 81 1,-0.3 -1,-0.2 2,-0.1 -2,-0.1 0.899 119.5 32.7 -49.7 -45.2 65.7 29.9 101.2 30 26 A A T 45S- 0 0 13 2,-0.1 81,-0.7 82,-0.1 82,-0.4 0.688 106.9-122.4 -88.2 -19.6 66.9 32.0 98.3 31 27 A G T <5 + 0 0 10 -4,-2.0 2,-0.6 1,-0.2 80,-0.5 0.888 52.3 162.7 78.2 37.1 63.8 34.1 98.1 32 28 A R E < +BC 27 110A 18 -5,-2.3 -6,-2.5 78,-0.3 -5,-1.8 -0.802 10.5 176.2 -92.3 122.3 63.2 33.1 94.4 33 29 A S E -BC 25 109A 2 76,-2.8 76,-3.0 -2,-0.6 2,-0.4 -0.981 17.6-145.6-133.6 134.3 59.7 33.7 93.1 34 30 A L E -B 24 0A 0 -10,-2.3 -10,-1.9 -2,-0.4 2,-0.3 -0.753 9.5-142.1 -98.1 136.1 58.4 33.3 89.6 35 31 A F E -B 23 0A 0 -2,-0.4 65,-2.3 65,-0.3 2,-0.3 -0.685 22.4-170.3 -90.5 139.0 55.7 35.4 88.0 36 32 A Y E -BD 22 99A 0 -14,-2.4 -14,-1.4 -2,-0.3 2,-0.4 -0.909 17.2-153.7-130.3 159.0 53.1 33.8 85.7 37 33 A L E -BD 21 98A 7 61,-2.4 61,-3.9 -2,-0.3 2,-0.5 -0.986 11.3-166.0-136.4 117.0 50.4 34.8 83.4 38 34 A L E -BD 20 97A 0 -18,-3.5 -18,-2.0 -2,-0.4 2,-0.6 -0.930 4.6-174.6-107.7 121.8 47.4 32.6 82.8 39 35 A Q E -BD 19 96A 6 57,-2.8 57,-3.4 -2,-0.5 -20,-0.2 -0.970 17.5-154.0-121.7 111.1 45.1 33.3 79.9 40 36 A E - 0 0 21 -22,-2.5 55,-0.2 -2,-0.6 51,-0.1 -0.479 14.8-111.1 -86.5 159.0 42.1 31.0 79.8 41 37 A A - 0 0 4 -2,-0.2 -23,-0.3 1,-0.2 51,-0.2 -0.509 43.7 -96.0 -82.9 151.4 39.9 29.8 77.0 42 38 A P > - 0 0 13 0, 0.0 3,-2.5 0, 0.0 4,-0.4 -0.221 41.1-100.3 -65.7 162.8 36.4 31.0 76.9 43 39 A E G > S+ 0 0 172 -27,-0.5 3,-2.1 1,-0.3 -2,-0.1 0.832 119.0 65.7 -52.1 -43.5 33.7 28.8 78.4 44 40 A D G 3 S+ 0 0 136 1,-0.3 -1,-0.3 3,-0.0 -3,-0.0 0.692 105.5 45.9 -56.6 -20.3 32.6 27.4 75.2 45 41 A A G < S+ 0 0 34 -3,-2.5 -1,-0.3 49,-0.0 -2,-0.2 0.463 96.8 153.9-100.5 -4.6 36.0 25.7 75.0 46 42 A Q < + 0 0 63 -3,-2.1 48,-0.0 -4,-0.4 -3,-0.0 -0.467 49.8 36.3 -85.6 158.5 36.2 24.4 78.5 47 43 A P S S+ 0 0 108 0, 0.0 -1,-0.2 0, 0.0 -4,-0.0 0.221 87.7 166.0 -79.6 110.2 37.4 22.3 80.1 48 44 A A - 0 0 4 1,-0.2 46,-0.2 -7,-0.1 -2,-0.1 -0.469 40.3 -84.8 -87.9 166.1 40.4 22.9 77.7 49 45 A P - 0 0 26 0, 0.0 46,-3.8 0, 0.0 2,-0.6 -0.168 35.9-119.0 -67.3 166.1 43.9 21.7 78.2 50 46 A L E -ef 95 147A 0 96,-2.6 98,-2.5 44,-0.2 2,-0.5 -0.913 29.8-168.7-104.6 126.3 46.4 23.4 80.2 51 47 A V E -ef 96 148A 1 44,-3.6 46,-3.3 -2,-0.6 2,-0.6 -0.933 12.9-154.4-124.4 119.9 49.5 24.5 78.3 52 48 A L E -ef 97 149A 0 96,-2.9 98,-3.2 -2,-0.5 2,-0.5 -0.704 18.9-163.7 -87.1 120.3 52.7 25.8 79.9 53 49 A W E -ef 98 150A 0 44,-3.1 46,-1.4 -2,-0.6 2,-0.4 -0.905 6.3-172.5-111.3 133.3 54.5 28.0 77.4 54 50 A L E - f 0 151A 5 96,-2.4 98,-1.1 -2,-0.5 105,-0.1 -0.970 12.2-153.0-130.7 128.5 58.1 29.0 77.7 55 51 A N - 0 0 2 -2,-0.4 7,-0.2 44,-0.3 4,-0.2 -0.297 18.7-145.0 -84.0 169.6 60.3 31.5 75.8 56 52 A G >> + 0 0 0 361,-3.1 4,-2.6 5,-0.1 3,-0.6 0.369 47.8 120.5-108.2-122.7 64.1 31.0 75.6 57 53 A G T 34 S- 0 0 0 358,-3.2 358,-2.8 1,-0.3 2,-0.2 -0.822 89.2-102.6 128.0 -84.3 67.1 33.3 75.5 58 54 A P T 34 S+ 0 0 0 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.548 119.4 31.1 -66.7 149.2 68.1 32.0 77.9 59 55 A G T <4 S+ 0 0 0 -3,-0.6 236,-2.7 42,-0.4 2,-0.3 0.475 89.8 125.8 111.2 6.5 66.9 35.0 79.9 60 56 A a B < -L 294 0B 0 -4,-2.6 2,-0.5 234,-0.3 41,-0.5 -0.732 59.8-114.4 -99.7 144.2 63.9 36.0 77.7 61 57 A S > - 0 0 0 232,-3.0 4,-2.3 -2,-0.3 5,-0.3 -0.693 5.7-150.4 -90.9 130.9 60.4 36.4 79.1 62 58 A S T 4>S+ 0 0 2 37,-0.5 5,-2.2 -2,-0.5 6,-0.2 0.817 104.0 48.5 -56.6 -35.8 57.5 34.1 78.3 63 58AA V T 4>S+ 0 0 1 3,-0.2 5,-1.0 1,-0.2 -1,-0.2 0.921 109.0 50.6 -73.2 -45.7 55.2 37.1 78.9 64 59 A A T 45S+ 0 0 0 229,-0.2 -2,-0.2 3,-0.2 -1,-0.2 0.911 130.8 13.7 -58.2 -43.4 57.2 39.5 76.8 65 60 A Y T X>S+ 0 0 0 -4,-2.3 4,-3.0 3,-0.2 5,-0.9 0.885 130.5 40.5 -94.8 -73.2 57.3 37.2 73.8 66 61 A G H >5S+ 0 0 0 -5,-0.3 6,-2.4 1,-0.2 4,-0.6 0.896 129.1 29.0 -44.5 -54.9 54.9 34.5 74.1 67 62 A A H 4 - 0 0 80 5,-3.0 3,-1.8 -2,-0.4 4,-0.2 -0.171 43.1 -70.8 -71.4 167.0 50.0 49.1 70.7 78 73 A P G > S+ 0 0 73 0, 0.0 3,-1.6 0, 0.0 -1,-0.1 -0.171 121.5 19.4 -61.8 148.7 52.8 51.5 69.9 79 74 A R G 3 S- 0 0 86 1,-0.3 -2,-0.1 2,-0.1 186,-0.1 0.557 126.1 -81.8 65.4 6.9 54.3 53.5 72.5 80 75 A G G < S+ 0 0 2 -3,-1.8 -1,-0.3 -4,-0.1 192,-0.1 0.826 88.3 146.0 68.9 28.0 52.8 50.8 74.9 81 76 A A < - 0 0 55 -3,-1.6 2,-0.3 -4,-0.2 -2,-0.1 0.718 59.4 -52.1 -70.8 -31.7 49.6 52.6 74.7 82 76AA G - 0 0 0 -5,-0.2 -5,-3.0 -4,-0.1 2,-0.3 -0.967 62.7 -67.7-179.2-160.6 47.1 49.9 75.0 83 77 A L E -M 76 0C 10 -72,-1.8 2,-0.4 -2,-0.3 -7,-0.2 -0.871 18.5-165.5-128.5 156.9 46.1 46.6 73.7 84 78 A V E -M 75 0C 68 -9,-2.4 -9,-3.5 -2,-0.3 2,-0.3 -0.957 33.6-109.1-130.4 150.2 44.6 44.8 70.8 85 79 A L E -M 74 0C 73 -2,-0.4 2,-0.8 -11,-0.3 -11,-0.3 -0.594 23.6-128.6 -81.3 137.8 43.3 41.4 70.7 86 80 A N > - 0 0 10 -13,-3.6 3,-2.6 -2,-0.3 -1,-0.1 -0.811 13.6-157.7 -91.1 105.0 45.2 38.7 68.9 87 81 A E T 3 S+ 0 0 117 -2,-0.8 -1,-0.1 1,-0.3 -14,-0.1 0.708 92.8 44.0 -60.1 -18.7 42.7 37.1 66.6 88 82 A Y T 3 S+ 0 0 62 -16,-0.2 -1,-0.3 298,-0.1 4,-0.1 0.167 80.3 154.5-114.2 20.6 44.7 34.0 66.5 89 83 A R X - 0 0 27 -3,-2.6 3,-1.4 -16,-0.2 4,-0.2 -0.074 47.6-134.3 -47.0 136.4 45.5 33.8 70.2 90 84 A W G >> S+ 0 0 3 -19,-3.0 3,-1.9 1,-0.3 4,-1.3 0.733 99.3 77.8 -70.7 -16.3 46.1 30.2 71.3 91 85 A N G 34 S+ 0 0 1 -20,-0.6 -1,-0.3 1,-0.3 -2,-0.1 0.386 72.6 82.2 -74.7 10.5 43.8 30.8 74.3 92 86 A K G <4 S+ 0 0 83 -3,-1.4 -1,-0.3 -51,-0.2 -2,-0.2 0.844 112.4 15.1 -78.2 -26.1 41.1 30.3 71.8 93 87 A V T <4 S+ 0 0 34 -3,-1.9 2,-0.3 -4,-0.2 -2,-0.2 0.526 127.8 35.6-120.2 -14.0 41.6 26.6 72.3 94 88 A A S < S- 0 0 0 -4,-1.3 2,-0.7 -46,-0.2 -44,-0.2 -0.959 76.8-108.2-138.5 163.2 43.7 26.1 75.5 95 89 A N E - e 0 50A 0 -46,-3.8 -44,-3.6 -2,-0.3 2,-0.6 -0.850 47.7-152.4 -87.6 112.3 44.3 27.5 79.0 96 90 A V E -De 39 51A 1 -57,-3.4 -57,-2.8 -2,-0.7 2,-0.7 -0.855 13.2-165.4 -99.5 120.9 47.7 29.1 78.4 97 91 A L E -De 38 52A 0 -46,-3.3 -44,-3.1 -2,-0.6 2,-0.5 -0.915 3.4-164.1-110.6 111.0 50.1 29.5 81.2 98 92 A F E -De 37 53A 0 -61,-3.9 -61,-2.4 -2,-0.7 2,-0.5 -0.868 6.0-163.7 -92.7 125.0 53.0 31.8 80.5 99 93 A L E -D 36 0A 0 -46,-1.4 2,-0.6 -2,-0.5 -37,-0.5 -0.932 15.0-144.3-114.0 120.2 56.0 31.5 83.0 100 94 A D - 0 0 0 -65,-2.3 -65,-0.3 -2,-0.5 -39,-0.1 -0.697 43.7-142.5 -77.5 116.6 58.8 34.2 83.3 101 95 A S + 0 0 6 -2,-0.6 -42,-0.4 -41,-0.5 2,-0.2 -0.994 53.2 21.6-152.8 147.0 61.8 32.0 84.0 102 96 A P S > S- 0 0 5 0, 0.0 3,-2.6 0, 0.0 6,-0.2 0.559 96.0 -86.1 -83.4-175.5 64.3 31.7 85.4 103 97 A A T 3 S+ 0 0 3 1,-0.3 6,-0.2 -2,-0.2 7,-0.1 -0.232 120.5 40.6 -48.2 127.3 64.2 34.0 88.5 104 98 A G T 3 S+ 0 0 15 1,-0.4 2,-0.5 4,-0.4 -1,-0.3 0.230 90.9 110.0 113.2 -18.4 65.4 37.3 87.2 105 99 A V S X S- 0 0 0 -3,-2.6 3,-2.5 -5,-0.1 2,-0.6 -0.800 89.5 -34.2 -99.5 137.7 63.5 37.2 84.0 106 100 A G T 3 S- 0 0 6 -2,-0.5 186,-0.3 186,-0.4 188,-0.1 -0.506 129.9 -20.1 66.8-114.1 60.6 39.4 83.3 107 101 A F T 3 S+ 0 0 1 -2,-0.6 -1,-0.3 -72,-0.1 175,-0.3 0.389 111.4 109.9-106.4 -5.1 58.8 39.9 86.6 108 102 A S < - 0 0 0 -3,-2.5 -4,-0.4 -6,-0.2 2,-0.3 -0.476 52.5-172.8 -69.4 145.2 60.3 36.8 88.2 109 103 A Y E -C 33 0A 74 -76,-3.0 -76,-2.8 -6,-0.2 2,-0.4 -0.924 22.3-146.7-143.0 163.5 62.7 37.8 90.9 110 104 A T E -C 32 0A 25 -2,-0.3 -78,-0.3 -78,-0.2 -79,-0.2 -0.987 12.2-153.3-131.1 141.8 65.3 36.5 93.3 111 105 A N S S+ 0 0 119 -81,-0.7 2,-0.8 -80,-0.5 -80,-0.2 0.683 89.3 69.7 -81.9 -19.5 66.2 37.7 96.8 112 106 A T S > S- 0 0 47 -82,-0.4 3,-2.9 1,-0.2 4,-0.4 -0.882 72.9-158.6-104.2 104.5 69.8 36.3 96.3 113 107 A S G > S+ 0 0 93 -2,-0.8 3,-1.1 1,-0.3 4,-0.2 0.811 88.6 62.9 -53.8 -34.7 71.4 38.5 93.7 114 108 A S G >> S+ 0 0 62 1,-0.2 3,-2.3 2,-0.2 4,-0.6 0.709 82.5 81.8 -66.1 -17.8 74.0 36.1 92.8 115 109 A D G X4 S+ 0 0 10 -3,-2.9 3,-1.5 1,-0.3 4,-0.3 0.924 87.6 57.1 -50.0 -41.2 71.1 33.9 91.6 116 110 A I G <4 S+ 0 0 35 -3,-1.1 -1,-0.3 -4,-0.4 185,-0.2 0.501 107.4 46.6 -70.2 -5.4 71.2 35.9 88.4 117 111 A Y G <4 S+ 0 0 120 -3,-2.3 -1,-0.3 -4,-0.2 -2,-0.2 0.389 112.9 50.1-114.4 -3.3 74.9 35.1 87.9 118 112 A T S << S+ 0 0 56 -3,-1.5 -2,-0.2 -4,-0.6 -3,-0.1 0.230 73.0 139.2-119.9 14.0 74.4 31.4 88.5 119 112AA S + 0 0 0 -4,-0.3 184,-2.4 182,-0.2 2,-0.3 -0.172 20.4 159.2 -61.4 153.5 71.5 30.4 86.4 120 112BA G > - 0 0 0 182,-0.2 4,-1.9 183,-0.2 5,-0.2 -0.974 54.2 -94.1-161.0 171.7 71.7 27.0 84.5 121 112CA D H > S+ 0 0 2 183,-2.8 4,-2.0 -2,-0.3 5,-0.2 0.890 116.5 55.9 -63.7 -40.9 69.5 24.5 83.0 122 113 A N H > S+ 0 0 90 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.952 112.1 37.8 -57.0 -54.3 69.2 22.3 86.1 123 114 A R H > S+ 0 0 61 2,-0.2 4,-3.5 1,-0.2 5,-0.3 0.899 112.6 59.9 -65.6 -40.4 68.0 24.9 88.6 124 115 A T H X S+ 0 0 4 -4,-1.9 4,-1.3 1,-0.2 -1,-0.2 0.934 111.2 40.7 -52.4 -46.2 65.9 26.4 85.9 125 116 A A H X S+ 0 0 8 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.878 113.7 51.1 -72.3 -41.2 64.1 23.2 85.6 126 117 A H H X S+ 0 0 90 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.918 111.3 49.0 -66.4 -36.6 63.9 22.3 89.2 127 118 A D H X S+ 0 0 11 -4,-3.5 4,-2.4 -5,-0.3 -1,-0.2 0.838 109.3 52.7 -68.4 -28.9 62.5 25.6 90.0 128 119 A S H X S+ 0 0 5 -4,-1.3 4,-2.4 -5,-0.3 -1,-0.2 0.871 107.4 51.6 -71.1 -35.7 60.0 25.2 87.3 129 120 A Y H X S+ 0 0 52 -4,-2.1 4,-2.3 2,-0.2 5,-0.2 0.916 110.6 48.9 -65.1 -43.7 58.9 22.0 88.6 130 121 A A H X S+ 0 0 28 -4,-2.4 4,-2.3 1,-0.2 5,-0.2 0.933 107.5 55.1 -61.4 -46.8 58.5 23.6 92.0 131 122 A F H X S+ 0 0 0 -4,-2.4 4,-3.4 1,-0.2 -1,-0.2 0.928 109.2 48.1 -50.6 -47.4 56.6 26.3 90.4 132 123 A L H X S+ 0 0 0 -4,-2.4 4,-3.0 2,-0.2 -1,-0.2 0.931 108.3 50.7 -61.8 -51.3 54.2 23.9 88.9 133 124 A A H X S+ 0 0 16 -4,-2.3 4,-1.1 1,-0.2 -1,-0.2 0.965 117.2 42.2 -51.6 -50.5 53.5 21.8 92.0 134 125 A K H >X S+ 0 0 113 -4,-2.3 4,-1.8 -5,-0.2 3,-0.6 0.884 109.8 57.6 -63.4 -44.8 52.8 24.8 93.9 135 126 A W H 3X S+ 0 0 0 -4,-3.4 4,-2.0 1,-0.3 -1,-0.2 0.906 105.1 51.3 -55.8 -43.0 50.8 26.4 91.1 136 127 A F H 3< S+ 0 0 1 -4,-3.0 -1,-0.3 2,-0.2 6,-0.2 0.791 104.3 56.3 -65.8 -28.9 48.4 23.6 91.0 137 128 A E H << S+ 0 0 108 -4,-1.1 -1,-0.2 -3,-0.6 -2,-0.2 0.885 110.5 46.8 -70.5 -31.9 47.9 23.8 94.7 138 129 A R H < S+ 0 0 77 -4,-1.8 -2,-0.2 1,-0.3 -1,-0.2 0.798 124.0 32.1 -75.6 -28.1 46.8 27.4 94.1 139 130 A F S >< S+ 0 0 0 -4,-2.0 3,-2.2 -5,-0.2 -1,-0.3 -0.600 70.7 165.9-124.5 62.4 44.6 26.3 91.1 140 131 A P G > + 0 0 68 0, 0.0 3,-1.8 0, 0.0 -1,-0.1 0.727 67.0 73.7 -56.9 -19.9 43.5 22.9 92.3 141 132 A H G 3 S+ 0 0 84 1,-0.3 -5,-0.1 -3,-0.1 -4,-0.1 0.643 92.1 59.2 -69.8 -8.1 40.7 22.9 89.6 142 133 A Y G X S+ 0 0 2 -3,-2.2 3,-1.9 -6,-0.2 -1,-0.3 0.511 77.3 117.7 -94.4 -3.8 43.5 22.3 87.1 143 134 A K T < S+ 0 0 46 -3,-1.8 31,-0.2 1,-0.3 3,-0.1 -0.343 81.8 14.7 -66.1 150.6 44.7 19.1 88.7 144 137 A Y T 3 S+ 0 0 157 29,-3.4 -1,-0.3 1,-0.2 30,-0.1 0.340 92.5 141.5 71.3 -8.6 44.4 16.1 86.5 145 138 A R < - 0 0 45 -3,-1.9 30,-0.9 28,-0.3 -1,-0.2 -0.337 67.7 -93.9 -63.4 148.9 43.9 18.3 83.4 146 139 A D E - g 0 175A 59 -3,-0.1 -96,-2.6 28,-0.1 2,-0.4 -0.491 56.4-161.3 -59.4 129.9 45.5 17.2 80.2 147 140 A F E +fg 50 176A 0 28,-3.4 30,-4.9 -2,-0.2 31,-0.9 -0.947 19.0 179.7-129.3 141.4 48.7 19.1 80.3 148 141 A Y E -fg 51 178A 4 -98,-2.5 -96,-2.9 -2,-0.4 2,-0.5 -0.961 16.3-147.2-131.5 154.3 51.3 20.1 77.8 149 142 A I E +fg 52 179A 0 29,-2.0 31,-1.6 -2,-0.3 2,-0.3 -0.979 26.2 165.6-124.0 134.6 54.5 22.0 77.8 150 143 A A E +fg 53 180A 2 -98,-3.2 -96,-2.4 -2,-0.5 2,-0.2 -0.960 4.6 138.0-144.9 155.9 55.6 24.0 74.8 151 144 A G E -fg 54 181A 0 29,-1.3 31,-2.6 -2,-0.3 2,-0.3 -0.957 32.6-116.1-177.7-178.3 58.2 26.8 73.9 152 145 A E E > - g 0 182A 0 -98,-1.1 3,-2.2 265,-0.3 31,-0.2 -0.865 66.2 -4.7-137.1 165.3 60.7 28.0 71.3 153 146 A S E > S+ g 0 184A 0 29,-1.7 3,-2.5 30,-0.5 32,-1.9 -0.242 133.3 12.0 55.8-118.8 64.4 28.6 70.8 154 147 A Y T >> S+ 0 0 0 261,-2.2 3,-3.2 1,-0.3 4,-1.4 0.822 117.5 75.6 -62.4 -21.8 66.4 28.1 74.1 155 148 A A H <> S+ 0 0 0 -3,-2.2 4,-2.8 1,-0.3 -1,-0.3 0.647 70.4 84.2 -64.4 -4.6 63.1 26.5 75.4 156 149 A G H <4 S+ 0 0 0 -3,-2.5 -1,-0.3 2,-0.2 -2,-0.2 0.794 102.1 36.3 -64.6 -20.5 64.2 23.6 73.2 157 150 A H H <> S+ 0 0 0 -3,-3.2 4,-2.4 -4,-0.2 5,-0.3 0.898 117.9 48.3 -89.5 -58.7 66.2 22.9 76.4 158 151 A Y H X S+ 0 0 10 -4,-1.4 4,-2.7 1,-0.2 5,-0.3 0.860 108.8 52.5 -50.3 -47.8 63.7 24.1 79.0 159 152 A V H X S+ 0 0 0 -4,-2.8 4,-3.0 2,-0.2 5,-0.2 0.966 115.3 35.6 -58.7 -62.5 60.7 22.2 77.7 160 153 A P H > S+ 0 0 0 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.892 117.0 56.8 -65.5 -30.4 62.1 18.6 77.4 161 154 A E H X S+ 0 0 17 -4,-2.4 4,-1.7 2,-0.2 -2,-0.2 0.972 113.4 38.9 -65.6 -42.2 64.1 19.2 80.5 162 155 A L H X S+ 0 0 2 -4,-2.7 4,-3.2 -5,-0.3 5,-0.2 0.931 112.1 58.5 -69.2 -40.5 61.1 20.1 82.5 163 156 A S H X S+ 0 0 0 -4,-3.0 4,-2.7 -5,-0.3 5,-0.2 0.854 103.9 52.1 -56.9 -40.1 59.1 17.5 80.8 164 157 A Q H X S+ 0 0 40 -4,-2.1 4,-2.8 -5,-0.2 -1,-0.2 0.925 109.0 48.3 -67.8 -39.3 61.5 14.9 82.0 165 158 A L H X S+ 0 0 34 -4,-1.7 4,-2.6 2,-0.2 -2,-0.2 0.952 113.4 48.5 -61.7 -50.4 61.3 16.0 85.6 166 159 A V H X>S+ 0 0 7 -4,-3.2 4,-0.9 1,-0.2 5,-0.6 0.972 113.4 47.5 -54.9 -48.9 57.5 16.1 85.5 167 160 A H H ><5S+ 0 0 71 -4,-2.7 3,-0.8 1,-0.3 -1,-0.2 0.923 117.5 40.5 -56.7 -49.0 57.4 12.7 83.9 168 161 A R H 3<5S+ 0 0 150 -4,-2.8 -1,-0.3 -5,-0.2 -2,-0.2 0.785 100.4 74.3 -72.5 -26.9 59.8 11.2 86.3 169 162 A S H 3<5S- 0 0 40 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.726 87.0-145.8 -59.0 -26.2 58.2 13.0 89.2 170 163 A K T <<5 + 0 0 106 -4,-0.9 -3,-0.1 -3,-0.8 -1,-0.1 0.827 31.6 173.4 59.0 27.5 55.3 10.7 89.1 171 164 A N > < - 0 0 40 -5,-0.6 3,-0.5 1,-0.2 -1,-0.2 -0.537 23.5-156.4 -71.5 111.7 53.1 13.6 90.2 172 165 A P T 3 S+ 0 0 97 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.777 83.8 59.2 -66.6 -28.4 49.8 12.3 90.1 173 166 A V T 3 S+ 0 0 15 1,-0.1 -29,-3.4 -30,-0.1 2,-0.8 0.647 89.7 75.5 -81.1 -18.3 48.2 15.7 89.7 174 167 A I < - 0 0 10 -3,-0.5 2,-1.5 -31,-0.2 -1,-0.1 -0.877 64.8-162.7 -95.2 105.8 49.9 16.7 86.7 175 168 A N E -g 146 0A 65 -30,-0.9 -28,-3.4 -2,-0.8 2,-0.4 -0.518 17.3-169.8 -88.0 70.7 48.4 14.8 83.6 176 169 A L E +g 147 0A 21 -2,-1.5 -28,-0.2 -30,-0.2 3,-0.1 -0.428 15.4 171.6 -60.1 114.3 51.4 15.5 81.3 177 170 A K E - 0 0 71 -30,-4.9 145,-2.3 -2,-0.4 2,-0.3 0.696 52.8 -64.7-102.7 -15.9 50.4 14.5 77.8 178 171 A G E -gh 148 322A 0 -31,-0.9 -29,-2.0 143,-0.2 -1,-0.3 -0.975 43.0-106.8 160.7-173.6 53.4 15.8 75.8 179 172 A F E -gh 149 323A 0 143,-2.4 145,-1.8 -2,-0.3 2,-0.4 -0.972 11.1-149.5-147.6 159.3 55.4 18.8 74.6 180 173 A M E -gh 150 324A 2 -31,-1.6 -29,-1.3 -2,-0.3 2,-0.4 -0.999 8.3-161.7-135.6 135.2 56.0 20.8 71.5 181 174 A V E -gh 151 325A 0 143,-2.1 145,-3.5 -2,-0.4 2,-0.4 -0.969 2.6-161.8-119.1 130.3 59.2 22.6 70.6 182 175 A G E S-gh 152 326A 0 -31,-2.6 -29,-1.7 -2,-0.4 145,-0.3 -0.931 73.6 -19.6-111.1 133.1 59.4 25.4 67.9 183 176 A N E S+ 0 0 0 143,-2.6 -30,-0.5 -2,-0.4 2,-0.3 0.870 101.3 167.5 38.9 53.4 62.8 26.5 66.3 184 177 A G E -g 153 0A 0 142,-0.4 2,-0.2 -3,-0.2 -1,-0.2 -0.753 48.5-105.2-113.1 151.7 64.5 24.9 69.2 185 178 A L + 0 0 0 -32,-1.9 3,-0.1 -2,-0.3 -1,-0.1 -0.444 48.1 153.7 -62.6 128.7 67.8 23.8 70.4 186 179 A I - 0 0 0 -2,-0.2 123,-3.1 1,-0.2 124,-0.5 0.632 67.3 -2.2-124.6 -41.5 67.8 20.1 70.1 187 180 A D B > -N 308 0D 20 121,-0.2 4,-2.9 122,-0.2 5,-0.3 -0.854 60.3-143.4-162.3 112.8 71.5 18.9 69.7 188 181 A D H > S+ 0 0 1 119,-2.7 4,-2.1 -2,-0.3 5,-0.2 0.873 97.3 49.0 -51.8 -46.3 74.4 21.3 69.4 189 182 A Y H > S+ 0 0 116 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.968 118.2 37.7 -60.8 -52.5 76.4 19.5 66.9 190 183 A H H > S+ 0 0 47 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.840 115.5 53.7 -69.3 -35.5 73.6 18.9 64.5 191 184 A D H X S+ 0 0 0 -4,-2.9 4,-2.4 2,-0.2 -1,-0.2 0.840 108.0 49.8 -65.2 -40.9 72.1 22.1 65.0 192 185 A Y H X S+ 0 0 16 -4,-2.1 4,-2.3 -5,-0.3 5,-0.3 0.966 112.6 49.1 -60.9 -49.1 75.4 23.9 64.3 193 186 A V H X S+ 0 0 29 -4,-2.3 4,-2.1 -5,-0.2 5,-0.2 0.959 113.5 43.4 -54.4 -58.8 75.7 21.9 61.1 194 187 A G H X S+ 0 0 0 -4,-2.8 4,-2.8 1,-0.2 144,-0.3 0.867 110.9 59.2 -59.3 -36.1 72.2 22.6 59.9 195 188 A T H X S+ 0 0 4 -4,-2.4 4,-2.5 -5,-0.2 -1,-0.2 0.967 108.0 40.9 -56.8 -54.8 72.6 26.2 60.8 196 189 A F H X S+ 0 0 3 -4,-2.3 4,-2.5 2,-0.2 5,-0.2 0.892 115.2 51.7 -61.7 -39.9 75.6 26.9 58.7 197 190 A E H X S+ 0 0 59 -4,-2.1 4,-2.8 -5,-0.3 -1,-0.2 0.951 110.4 48.9 -64.2 -42.6 74.2 24.9 55.8 198 191 A F H < S+ 0 0 5 -4,-2.8 4,-0.3 1,-0.2 -1,-0.2 0.901 110.5 50.5 -61.3 -46.1 71.0 26.8 56.0 199 192 A W H ><>S+ 0 0 25 -4,-2.5 5,-2.5 -5,-0.3 3,-1.4 0.939 111.5 47.6 -57.4 -47.6 72.7 30.2 56.1 200 193 A W H ><5S+ 0 0 99 -4,-2.5 3,-1.7 1,-0.3 -2,-0.2 0.952 110.4 53.0 -63.1 -40.5 74.9 29.3 53.0 201 194 A N T 3<5S+ 0 0 102 -4,-2.8 -1,-0.3 1,-0.3 -2,-0.2 0.448 109.3 49.6 -73.5 -1.1 71.7 28.1 51.2 202 195 A H T < 5S- 0 0 56 -3,-1.4 -1,-0.3 -4,-0.3 -2,-0.2 0.132 115.1-115.2-118.2 7.8 70.1 31.5 52.0 203 196 A G T < 5S+ 0 0 68 -3,-1.7 -3,-0.2 -5,-0.1 -2,-0.1 0.774 77.5 126.1 63.3 35.1 73.0 33.5 50.7 204 197 A I < + 0 0 24 -5,-2.5 2,-0.3 -6,-0.2 -4,-0.2 0.650 65.8 30.2-101.0 -13.1 73.9 35.0 53.9 205 198 A V S S- 0 0 14 -6,-0.4 -2,-0.1 -9,-0.1 -1,-0.1 -0.954 81.8-101.8-137.1 161.5 77.6 34.1 54.3 206 199 A S > - 0 0 46 -2,-0.3 4,-2.6 1,-0.1 5,-0.2 -0.162 35.3-109.3 -72.6 167.0 80.6 33.4 51.9 207 200 A D H > S+ 0 0 113 2,-0.2 4,-1.9 1,-0.2 5,-0.2 0.913 120.1 50.9 -65.3 -42.6 81.8 30.1 51.1 208 201 A D H > S+ 0 0 98 2,-0.2 4,-3.6 1,-0.2 5,-0.2 0.938 110.2 48.7 -63.8 -44.0 84.9 30.6 53.1 209 202 A T H > S+ 0 0 4 2,-0.2 4,-3.1 1,-0.2 5,-0.3 0.932 108.0 55.9 -65.2 -36.4 82.9 31.7 56.2 210 203 A Y H X S+ 0 0 33 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.917 113.1 41.2 -55.1 -44.8 80.7 28.7 55.8 211 204 A R H X S+ 0 0 107 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.923 112.9 53.1 -69.6 -50.1 83.7 26.5 55.9 212 205 A R H X S+ 0 0 91 -4,-3.6 4,-2.1 1,-0.2 5,-0.2 0.896 110.6 49.4 -56.4 -40.2 85.3 28.6 58.7 213 206 A L H X S+ 0 0 0 -4,-3.1 4,-2.4 -5,-0.2 5,-0.3 0.923 109.6 49.9 -67.5 -41.6 82.1 28.2 60.8 214 207 A K H X S+ 0 0 81 -4,-2.0 4,-1.3 -5,-0.3 -2,-0.2 0.979 116.1 42.2 -60.6 -50.2 81.9 24.5 60.3 215 208 A E H < S+ 0 0 137 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.774 119.4 44.0 -65.4 -31.1 85.5 24.0 61.3 216 209 A A H < S+ 0 0 18 -4,-2.1 13,-0.6 -5,-0.2 10,-0.2 0.808 120.9 32.1 -83.6 -34.7 85.4 26.5 64.3 217 210 A b H >< S+ 0 0 0 -4,-2.4 3,-2.2 -5,-0.2 -2,-0.2 0.575 82.9 97.8-104.7 -11.9 82.1 25.6 65.9 218 211 A L T 3< S+ 0 0 35 -4,-1.3 -1,-0.1 -5,-0.3 -25,-0.1 0.627 89.1 42.5 -61.1 -17.6 81.4 21.9 65.5 219 212 A H T 3 S+ 0 0 159 -3,-0.2 -1,-0.3 -4,-0.1 2,-0.1 0.288 104.2 87.8-105.6 7.0 82.6 20.7 68.8 220 213 A D S < S- 0 0 20 -3,-2.2 2,-0.3 -32,-0.1 -28,-0.1 -0.419 74.6-116.8 -97.8 175.8 81.0 23.6 70.7 221 214 A S - 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