==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-JUL-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/IMMUNE SYSTEM 21-MAY-13 4KUC . COMPND 2 MOLECULE: RICIN; . SOURCE 2 ORGANISM_SCIENTIFIC: RICINUS COMMUNIS; . AUTHOR Y.ZHU,X.LI,M.TENG . 1154 10 4 2 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 49018.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 733 63.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 49 4.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 296 25.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 9 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 7 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 9 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 97 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 96 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 170 14.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 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 1 2 2 0 2 0 0 0 2 0 4 2 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 1 5 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 PARALLEL BRIDGES PER LADDER . 11 10 3 7 10 11 5 0 1 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 6 1 3 2 4 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 5 A Q 0 0 155 0, 0.0 49,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 151.4 23.4 68.7 63.3 2 6 A Y - 0 0 37 1,-0.1 52,-0.1 52,-0.1 2,-0.1 -0.238 360.0 -99.0 -61.7 150.9 25.2 67.9 66.6 3 7 A P - 0 0 35 0, 0.0 52,-2.7 0, 0.0 2,-0.4 -0.464 34.7-148.5 -74.7 146.9 25.4 70.6 69.3 4 8 A I E -a 55 0A 93 50,-0.2 2,-0.4 -2,-0.1 52,-0.2 -0.890 8.5-164.4-117.9 143.1 28.7 72.6 69.6 5 9 A I E -a 56 0A 14 50,-1.5 52,-1.7 -2,-0.4 2,-0.2 -0.987 16.3-146.7-128.6 122.6 30.2 74.1 72.8 6 10 A N E +a 57 0A 101 -2,-0.4 2,-0.3 50,-0.2 52,-0.2 -0.593 21.1 168.3 -96.7 146.3 33.0 76.7 72.4 7 11 A F E -a 58 0A 12 50,-1.9 52,-2.7 -2,-0.2 2,-0.3 -0.896 12.9-163.3-153.6 126.7 36.0 77.4 74.7 8 12 A T E -a 59 0A 67 -2,-0.3 52,-0.2 50,-0.2 133,-0.1 -0.804 17.9-152.6-102.4 150.9 39.1 79.5 74.1 9 13 A T S > S+ 0 0 2 50,-1.7 3,-1.4 -2,-0.3 2,-1.0 0.627 73.8 104.7 -84.0 -19.1 42.2 79.2 76.2 10 14 A A T 3 S- 0 0 36 49,-0.3 -2,-0.1 1,-0.3 50,-0.0 -0.490 103.6 -13.3 -69.8 99.1 42.7 82.9 75.2 11 15 A G T 3 S+ 0 0 70 -2,-1.0 -1,-0.3 1,-0.2 5,-0.1 0.575 91.5 176.0 87.8 12.2 41.9 85.0 78.3 12 16 A A < - 0 0 21 -3,-1.4 2,-0.2 4,-0.1 -1,-0.2 -0.125 5.3-174.9 -51.6 139.0 40.2 82.0 80.0 13 17 A T > - 0 0 73 1,-0.1 4,-2.0 0, 0.0 5,-0.2 -0.750 43.9 -95.6-125.2 177.0 39.0 82.7 83.5 14 18 A V H > S+ 0 0 43 -2,-0.2 4,-2.8 2,-0.2 5,-0.2 0.900 127.9 45.3 -58.5 -39.7 37.6 80.5 86.2 15 19 A Q H > S+ 0 0 106 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.921 108.6 53.6 -72.8 -43.1 34.1 81.6 85.0 16 20 A S H > S+ 0 0 41 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.911 116.8 40.9 -55.9 -38.3 34.8 81.2 81.3 17 21 A Y H X S+ 0 0 2 -4,-2.0 4,-2.3 2,-0.2 5,-0.2 0.951 111.5 52.4 -78.3 -50.0 35.9 77.6 82.1 18 22 A T H X S+ 0 0 10 -4,-2.8 4,-2.7 1,-0.2 5,-0.3 0.875 108.8 53.2 -52.2 -42.6 33.2 76.7 84.6 19 23 A N H X S+ 0 0 60 -4,-2.5 4,-2.8 1,-0.2 -1,-0.2 0.929 107.5 51.4 -59.5 -44.7 30.6 77.8 82.1 20 24 A F H X S+ 0 0 5 -4,-1.3 4,-2.5 -5,-0.2 -2,-0.2 0.944 111.8 44.5 -58.7 -51.7 32.1 75.6 79.5 21 25 A I H X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.902 115.4 48.0 -64.0 -42.4 32.1 72.4 81.7 22 26 A R H X S+ 0 0 140 -4,-2.7 4,-1.8 -5,-0.2 -1,-0.2 0.881 111.7 50.9 -65.6 -34.7 28.5 73.2 83.0 23 27 A A H X S+ 0 0 42 -4,-2.8 4,-1.3 -5,-0.3 -2,-0.2 0.903 109.8 50.9 -67.0 -36.3 27.5 73.7 79.4 24 28 A V H X S+ 0 0 0 -4,-2.5 4,-0.9 1,-0.2 3,-0.5 0.943 108.4 50.1 -68.7 -44.3 29.1 70.4 78.5 25 29 A R H >X S+ 0 0 37 -4,-2.6 4,-1.7 1,-0.2 3,-0.6 0.889 106.7 58.1 -57.4 -39.7 27.3 68.5 81.2 26 30 A G H 3< S+ 0 0 53 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.849 110.7 39.6 -60.6 -35.2 24.0 70.1 80.1 27 31 A R H 3< S+ 0 0 150 -4,-1.3 -1,-0.2 -3,-0.5 -2,-0.2 0.500 108.7 62.7 -97.2 -3.2 24.2 68.7 76.6 28 32 A L H << S+ 0 0 5 -4,-0.9 2,-0.3 -3,-0.6 -2,-0.2 0.874 118.1 8.6 -83.8 -39.8 25.6 65.3 77.6 29 33 A T < - 0 0 20 -4,-1.7 -1,-0.3 -5,-0.1 12,-0.1 -0.936 60.7-134.2-140.0 156.3 22.6 64.3 79.6 30 34 A T - 0 0 129 -2,-0.3 -1,-0.1 10,-0.2 11,-0.1 0.726 42.6-129.1 -82.3 -21.5 19.0 65.7 80.2 31 35 A G S S+ 0 0 37 9,-0.4 3,-0.1 2,-0.1 10,-0.1 0.699 78.5 116.2 79.6 22.3 19.4 65.2 83.9 32 36 A A + 0 0 89 1,-0.2 2,-0.8 8,-0.2 -3,-0.0 0.687 65.6 66.6 -89.5 -24.6 16.1 63.3 84.1 33 37 A D + 0 0 41 7,-0.3 7,-1.9 2,-0.0 2,-0.4 -0.893 66.5 158.5-100.9 102.8 17.9 60.2 85.2 34 38 A V E -F 39 0B 68 -2,-0.8 2,-0.5 5,-0.2 3,-0.2 -0.984 20.7-167.4-129.2 118.7 19.4 60.9 88.7 35 39 A R E > S-F 38 0B 13 3,-2.6 3,-2.4 -2,-0.4 -2,-0.0 -0.943 78.3 -15.7-107.4 127.1 20.4 58.2 91.1 36 40 A H T 3 S- 0 0 76 -2,-0.5 -1,-0.2 1,-0.3 209,-0.0 0.831 129.3 -53.8 53.5 38.6 21.2 59.2 94.7 37 41 A E T 3 S+ 0 0 167 1,-0.2 -1,-0.3 -3,-0.2 -3,-0.0 0.377 117.7 113.6 75.2 0.4 21.5 62.9 93.6 38 42 A I E < -F 35 0B 1 -3,-2.4 -3,-2.6 176,-0.0 -1,-0.2 -0.896 66.6-126.9-106.1 119.8 24.1 61.9 90.9 39 43 A P E -F 34 0B 37 0, 0.0 212,-0.9 0, 0.0 2,-0.4 0.024 18.7-136.9 -55.5 161.3 22.9 62.3 87.2 40 44 A V B -g 251 0C 0 -7,-1.9 -9,-0.4 210,-0.2 -7,-0.3 -0.978 12.0-123.1-124.7 142.2 23.2 59.5 84.7 41 45 A L - 0 0 1 210,-2.9 -12,-0.1 -2,-0.4 32,-0.1 -0.433 50.7 -78.9 -75.9 158.4 24.4 59.6 81.1 42 46 A P - 0 0 33 0, 0.0 211,-0.4 0, 0.0 2,-0.2 -0.282 51.1-102.0 -58.2 146.3 21.9 58.4 78.5 43 47 A N - 0 0 57 1,-0.2 4,-0.1 2,-0.1 211,-0.1 -0.478 22.1-139.8 -68.0 132.7 21.6 54.6 78.1 44 48 A R S > S+ 0 0 87 -2,-0.2 3,-1.3 209,-0.2 2,-0.5 0.876 82.6 87.5 -62.7 -34.4 23.5 53.6 75.0 45 49 A V T 3 S+ 0 0 99 1,-0.2 -2,-0.1 477,-0.0 476,-0.1 -0.530 102.4 4.2 -75.2 117.9 20.7 51.1 74.2 46 50 A G T 3 S+ 0 0 69 474,-0.5 -1,-0.2 -2,-0.5 -2,-0.1 0.440 90.7 145.1 93.7 3.0 17.9 52.6 72.2 47 51 A L < - 0 0 21 -3,-1.3 -1,-0.3 -4,-0.1 5,-0.1 -0.596 53.0-119.3 -80.2 123.4 19.6 56.0 71.7 48 52 A P > - 0 0 59 0, 0.0 3,-2.2 0, 0.0 -1,-0.1 -0.393 17.9-127.2 -57.2 137.5 19.0 57.7 68.4 49 53 A I G > S+ 0 0 26 1,-0.3 3,-1.7 474,-0.3 4,-0.4 0.801 108.4 65.7 -58.0 -28.5 22.3 58.2 66.4 50 54 A N G 3 S+ 0 0 117 1,-0.3 -1,-0.3 2,-0.1 -3,-0.0 0.561 105.9 42.8 -77.9 1.2 21.4 61.9 66.1 51 55 A Q G < S+ 0 0 115 -3,-2.2 -1,-0.3 -49,-0.1 -2,-0.2 0.085 90.0 94.2-121.6 19.9 21.8 62.2 69.9 52 56 A R S < S+ 0 0 2 -3,-1.7 20,-2.3 1,-0.1 21,-0.4 0.828 83.3 34.8 -86.0 -33.1 25.0 60.1 70.2 53 57 A F E - B 0 71A 3 -4,-0.4 2,-0.3 18,-0.2 18,-0.2 -0.887 55.3-160.5-124.6 152.8 27.7 62.8 70.1 54 58 A I E - B 0 70A 3 16,-1.6 16,-2.0 -2,-0.3 2,-0.4 -0.841 22.5-131.0-118.9 163.0 28.3 66.4 71.1 55 59 A L E -aB 4 69A 21 -52,-2.7 -50,-1.5 -2,-0.3 2,-0.5 -0.969 13.4-164.5-118.8 133.6 30.9 68.6 69.6 56 60 A V E -aB 5 68A 0 12,-2.4 12,-3.0 -2,-0.4 2,-0.7 -0.968 6.2-160.4-117.1 113.7 33.4 70.7 71.6 57 61 A E E -aB 6 67A 51 -52,-1.7 -50,-1.9 -2,-0.5 2,-0.5 -0.853 7.4-166.7 -98.1 115.4 35.3 73.4 69.7 58 62 A L E -aB 7 66A 0 8,-2.6 8,-2.3 -2,-0.7 2,-0.3 -0.853 7.6-179.6-101.5 129.9 38.5 74.5 71.4 59 63 A S E -aB 8 65A 27 -52,-2.7 -50,-1.7 -2,-0.5 -49,-0.3 -0.890 6.1-162.1-121.7 160.5 40.2 77.7 70.2 60 64 A N > - 0 0 6 4,-1.5 3,-2.1 -2,-0.3 4,-0.3 -0.839 38.7 -91.6-137.5 178.4 43.4 79.4 71.4 61 65 A H T 3 S+ 0 0 152 1,-0.3 -1,-0.0 -2,-0.3 -53,-0.0 0.765 118.7 65.9 -61.6 -27.6 45.5 82.6 71.5 62 66 A A T 3 S- 0 0 62 79,-0.1 -1,-0.3 2,-0.1 3,-0.1 0.320 116.6-113.4 -76.2 8.5 47.3 81.5 68.4 63 67 A E S < S+ 0 0 93 -3,-2.1 2,-0.3 1,-0.2 -2,-0.2 0.814 72.1 137.4 59.3 34.6 44.0 81.8 66.5 64 68 A L - 0 0 17 -4,-0.3 -4,-1.5 2,-0.0 2,-0.4 -0.847 34.3-163.2-107.7 151.1 43.8 78.0 65.9 65 69 A S E +B 59 0A 40 -2,-0.3 2,-0.3 -6,-0.2 18,-0.3 -0.971 11.6 174.6-142.1 124.9 40.6 75.9 66.3 66 70 A V E -B 58 0A 0 -8,-2.3 -8,-2.6 -2,-0.4 2,-0.5 -0.892 19.5-143.3-121.2 155.3 39.9 72.2 66.6 67 71 A T E -BC 57 81A 10 14,-2.3 14,-2.7 -2,-0.3 -10,-0.3 -0.968 14.0-160.0-121.3 118.3 36.6 70.3 67.3 68 72 A L E -BC 56 80A 0 -12,-3.0 -12,-2.4 -2,-0.5 2,-0.5 -0.600 11.4-135.7 -89.8 153.2 36.6 67.2 69.5 69 73 A A E -BC 55 79A 0 10,-2.5 9,-3.0 -2,-0.2 10,-0.9 -0.962 18.0-165.0-115.6 124.1 33.8 64.6 69.4 70 74 A L E -BC 54 77A 0 -16,-2.0 -16,-1.6 -2,-0.5 2,-0.7 -0.846 19.1-131.2-109.5 138.4 32.4 63.2 72.7 71 75 A D E >>> -BC 53 76A 9 5,-2.7 4,-4.9 -2,-0.4 3,-1.0 -0.827 11.2-151.8 -87.6 116.5 30.3 60.1 73.2 72 76 A V T 345S+ 0 0 4 -20,-2.3 -1,-0.1 -2,-0.7 -19,-0.1 0.716 96.1 58.6 -57.5 -25.0 27.3 61.0 75.3 73 77 A T T 345S+ 0 0 10 -21,-0.4 180,-0.4 -32,-0.1 -1,-0.3 0.823 127.3 12.8 -75.9 -34.3 27.2 57.4 76.5 74 78 A N T <45S- 0 0 32 -3,-1.0 -2,-0.2 2,-0.2 -1,-0.1 0.656 88.1-133.0-111.5 -26.3 30.8 57.6 78.0 75 79 A A T <5 + 0 0 0 -4,-4.9 2,-0.2 1,-0.3 -3,-0.2 0.494 67.4 130.9 66.9 15.2 31.5 61.4 77.9 76 80 A Y E < -C 71 0A 43 -5,-0.6 -5,-2.7 1,-0.1 -1,-0.3 -0.588 66.5-100.8 -97.9 156.2 34.8 60.2 76.3 77 81 A V E +C 70 0A 7 -7,-0.2 -7,-0.2 -2,-0.2 3,-0.1 -0.549 32.8 176.9 -76.2 132.5 36.5 61.5 73.1 78 82 A V E - 0 0 26 -9,-3.0 11,-2.0 1,-0.3 2,-0.3 0.566 62.8 -46.3-108.0 -18.3 36.1 59.4 70.0 79 83 A G E -CD 69 88A 4 -10,-0.9 -10,-2.5 9,-0.3 -1,-0.3 -0.975 52.6-124.9 174.9-171.4 37.9 61.6 67.6 80 84 A Y E -CD 68 87A 0 7,-2.6 7,-2.5 -2,-0.3 2,-0.4 -0.977 7.9-133.9-155.9 166.1 38.4 65.2 66.3 81 85 A R E +CD 67 86A 79 -14,-2.7 -14,-2.3 -2,-0.3 5,-0.2 -0.947 16.5 178.2-120.8 144.5 38.2 67.4 63.2 82 86 A A E > - D 0 85A 6 3,-2.6 2,-0.9 -2,-0.4 3,-0.6 -0.736 65.0 -53.2-149.9 93.2 40.8 70.0 62.2 83 87 A G T 3 S- 0 0 36 -18,-0.3 65,-0.0 -2,-0.2 -17,-0.0 -0.658 125.6 -7.8 81.4-104.0 40.2 71.8 59.0 84 88 A N T 3 S+ 0 0 110 -2,-0.9 25,-3.0 23,-0.1 2,-0.4 0.159 122.6 75.8-112.9 14.6 39.7 69.2 56.3 85 89 A S E < -De 82 109A 12 -3,-0.6 -3,-2.6 23,-0.2 2,-0.4 -0.985 52.2-166.9-137.4 138.4 40.6 66.2 58.3 86 90 A A E -De 81 110A 0 23,-3.3 25,-2.7 -2,-0.4 2,-0.4 -0.971 8.2-166.1-122.9 134.3 39.0 64.1 61.0 87 91 A Y E -De 80 111A 13 -7,-2.5 -7,-2.6 -2,-0.4 2,-0.4 -0.928 7.0-164.3-119.1 143.7 40.9 61.5 63.1 88 92 A F E -De 79 112A 0 23,-1.3 25,-1.8 -2,-0.4 -9,-0.3 -0.986 23.1-116.1-133.5 140.1 39.2 58.9 65.2 89 93 A F - 0 0 16 -11,-2.0 27,-0.2 -2,-0.4 28,-0.1 -0.491 54.3 -88.6 -65.9 143.0 40.3 56.5 68.0 90 94 A H - 0 0 86 25,-2.0 2,-0.2 -2,-0.2 27,-0.2 -0.247 45.7-124.0 -55.4 124.4 40.0 52.9 67.0 91 95 A P - 0 0 22 0, 0.0 -1,-0.1 0, 0.0 3,-0.0 -0.581 6.1-144.8 -78.8 140.6 36.5 51.6 67.8 92 96 A D S S+ 0 0 134 -2,-0.2 2,-0.3 1,-0.1 -2,-0.1 0.733 79.5 18.1 -78.2 -18.6 36.3 48.5 70.1 93 97 A N S > S- 0 0 55 1,-0.0 4,-2.3 404,-0.0 5,-0.1 -0.921 80.7-102.4-148.5 174.2 33.3 47.2 68.2 94 98 A Q H > S+ 0 0 26 402,-0.4 4,-1.2 -2,-0.3 5,-0.1 0.690 114.7 57.7 -78.7 -21.0 31.2 47.4 65.1 95 99 A E H > S+ 0 0 7 2,-0.2 4,-1.9 1,-0.1 -1,-0.2 0.926 112.4 42.0 -69.2 -44.6 28.4 49.5 66.6 96 100 A D H > S+ 0 0 19 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.895 109.6 58.7 -67.1 -40.7 31.0 52.2 67.5 97 101 A A H < S+ 0 0 5 -4,-2.3 4,-0.4 1,-0.2 -1,-0.2 0.822 111.2 41.8 -57.4 -36.0 32.7 51.8 64.1 98 102 A E H >< S+ 0 0 0 -4,-1.2 3,-0.7 2,-0.2 -1,-0.2 0.827 106.9 62.8 -80.8 -33.8 29.4 52.7 62.4 99 103 A A H >< S+ 0 0 0 -4,-1.9 3,-2.0 1,-0.2 -2,-0.2 0.913 98.0 54.4 -59.7 -42.9 28.5 55.5 64.8 100 104 A I G >< S+ 0 0 9 -4,-1.9 3,-2.2 1,-0.3 -1,-0.2 0.741 91.1 73.1 -71.3 -16.7 31.6 57.6 63.9 101 105 A T G < S+ 0 0 1 -3,-0.7 252,-3.5 -4,-0.4 -1,-0.3 0.608 91.5 60.9 -68.0 -7.7 30.7 57.5 60.2 102 106 A H G < S+ 0 0 20 -3,-2.0 3,-0.4 -4,-0.2 2,-0.4 0.391 90.9 92.8 -92.1 -1.3 27.9 59.9 61.3 103 107 A L S < S- 0 0 0 -3,-2.2 250,-0.1 1,-0.2 -17,-0.1 -0.794 99.2 -8.0-101.3 139.0 30.5 62.5 62.5 104 108 A F S > S+ 0 0 18 -2,-0.4 3,-2.3 1,-0.1 -1,-0.2 0.885 76.1 176.2 47.3 45.9 32.0 65.3 60.5 105 109 A T T 3 + 0 0 64 -3,-0.4 -1,-0.1 1,-0.3 -2,-0.1 0.671 70.0 56.3 -57.1 -20.8 30.2 63.9 57.5 106 110 A D T 3 S+ 0 0 118 181,-0.0 -1,-0.3 155,-0.0 182,-0.1 0.298 79.4 115.6 -99.5 6.6 31.3 66.8 55.3 107 111 A V < - 0 0 7 -3,-2.3 -23,-0.1 1,-0.1 -22,-0.1 -0.473 59.6-142.4 -75.2 151.5 35.1 66.5 55.8 108 112 A Q S S+ 0 0 73 -24,-0.2 2,-0.5 1,-0.2 -23,-0.2 0.922 86.1 44.1 -74.8 -42.6 37.4 65.7 52.9 109 113 A N E +e 85 0A 49 -25,-3.0 -23,-3.3 181,-0.0 2,-0.4 -0.895 60.1 173.6-118.3 124.6 39.8 63.5 54.9 110 114 A R E +e 86 0A 15 -2,-0.5 2,-0.3 -25,-0.2 -23,-0.2 -0.987 8.0 173.3-122.5 133.5 38.9 60.8 57.5 111 115 A Y E -e 87 0A 99 -25,-2.7 -23,-1.3 -2,-0.4 2,-0.5 -0.970 20.4-147.3-137.5 157.5 41.4 58.5 59.2 112 116 A T E -e 88 0A 57 -2,-0.3 -23,-0.2 -25,-0.2 -25,-0.1 -0.968 18.5-135.5-128.3 115.3 41.3 55.9 62.0 113 117 A F - 0 0 18 -25,-1.8 -2,-0.0 -2,-0.5 -26,-0.0 -0.199 15.5-128.9 -57.7 153.6 44.3 55.4 64.3 114 118 A A S S+ 0 0 92 -24,-0.1 2,-0.3 -25,-0.1 -1,-0.1 0.706 88.1 77.3 -75.7 -17.3 45.3 51.8 65.0 115 119 A F S S- 0 0 20 1,-0.1 -25,-2.0 2,-0.0 -2,-0.1 -0.632 77.2-127.3-103.3 147.1 45.2 52.7 68.7 116 120 A G - 0 0 19 -2,-0.3 -1,-0.1 -27,-0.2 -26,-0.1 0.013 23.8-119.3 -70.2-172.6 42.4 53.2 71.2 117 121 A G + 0 0 10 -27,-0.2 2,-0.2 -28,-0.1 -40,-0.1 0.107 67.6 127.2-117.8 12.8 42.1 56.4 73.3 118 122 A N S >> S- 0 0 78 1,-0.1 4,-2.1 4,-0.0 3,-0.8 -0.512 71.6-116.1 -70.6 148.6 42.3 54.7 76.7 119 123 A Y H 3> S+ 0 0 17 1,-0.2 4,-3.3 2,-0.2 5,-0.3 0.866 110.4 63.4 -52.2 -44.4 45.0 56.2 79.0 120 124 A D H 3> S+ 0 0 110 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.863 110.0 35.6 -46.2 -52.7 47.0 53.0 79.0 121 125 A R H <> S+ 0 0 112 -3,-0.8 4,-2.7 2,-0.2 5,-0.2 0.929 117.9 51.6 -74.7 -43.6 47.8 53.0 75.2 122 126 A L H X S+ 0 0 0 -4,-2.1 4,-1.1 1,-0.2 6,-0.2 0.885 106.4 53.4 -62.1 -41.8 48.1 56.8 75.0 123 127 A E H X S+ 0 0 20 -4,-3.3 4,-1.9 -5,-0.2 3,-0.5 0.926 111.2 49.2 -55.8 -43.6 50.6 57.0 77.9 124 128 A Q H < S+ 0 0 139 -4,-1.2 3,-0.4 -5,-0.3 -2,-0.2 0.955 111.5 45.8 -61.0 -50.6 52.6 54.4 76.0 125 129 A L H < S+ 0 0 19 -4,-2.7 -1,-0.2 1,-0.2 36,-0.2 0.632 116.8 48.3 -70.3 -10.7 52.5 56.3 72.7 126 130 A A H < S- 0 0 11 -4,-1.1 -1,-0.2 -3,-0.5 -2,-0.2 0.707 96.4-135.2-100.7 -23.0 53.4 59.5 74.6 127 131 A G S < S+ 0 0 68 -4,-1.9 2,-0.2 -3,-0.4 -3,-0.1 0.138 78.6 85.1 86.0 -23.0 56.3 58.2 76.7 128 132 A N S S- 0 0 61 -6,-0.2 -1,-0.3 -5,-0.2 -2,-0.3 -0.624 72.2-131.6-100.4 166.5 54.9 60.0 79.7 129 133 A L >> - 0 0 73 -2,-0.2 3,-1.9 -3,-0.1 4,-0.6 -0.715 34.9-100.5-105.1 167.7 52.3 58.9 82.2 130 134 A R G >4 S+ 0 0 12 1,-0.3 3,-1.0 -2,-0.3 -1,-0.0 0.855 123.6 56.4 -52.0 -38.1 49.3 61.0 83.4 131 135 A E G 34 S+ 0 0 108 1,-0.2 -1,-0.3 64,-0.2 64,-0.2 0.467 109.1 47.1 -78.5 -0.8 51.2 61.9 86.6 132 136 A N G <4 S+ 0 0 101 -3,-1.9 2,-0.7 1,-0.1 -1,-0.2 0.391 95.2 84.5-111.7 -8.1 54.0 63.3 84.5 133 137 A I S << S- 0 0 2 -3,-1.0 61,-0.1 -4,-0.6 -1,-0.1 -0.879 76.1-135.4-106.6 110.2 51.9 65.3 82.1 134 138 A E - 0 0 77 -2,-0.7 2,-0.3 61,-0.2 61,-0.3 -0.178 14.9-154.7 -62.7 151.2 50.9 68.8 83.3 135 139 A L B +H 194 0D 0 59,-2.3 59,-1.5 4,-0.1 2,-0.3 -0.946 37.9 99.6-123.8 145.7 47.4 70.1 83.0 136 140 A G S > S- 0 0 0 -2,-0.3 4,-2.8 57,-0.2 5,-0.3 -0.873 84.6 -67.1 157.4 173.8 46.3 73.7 82.8 137 141 A N H > S+ 0 0 30 55,-0.3 4,-2.0 -2,-0.3 -1,-0.1 0.822 131.2 52.1 -62.6 -26.7 45.3 76.5 80.5 138 142 A G H > S+ 0 0 24 54,-0.3 4,-2.3 2,-0.2 5,-0.2 0.996 111.1 42.3 -64.3 -69.5 48.9 76.4 79.2 139 143 A P H > S+ 0 0 0 0, 0.0 4,-1.9 0, 0.0 -2,-0.2 0.829 116.2 51.8 -48.7 -34.7 49.1 72.7 78.4 140 144 A L H X S+ 0 0 1 -4,-2.8 4,-2.2 2,-0.2 -2,-0.2 0.918 106.0 53.7 -68.4 -45.8 45.5 73.0 76.9 141 145 A E H X S+ 0 0 43 -4,-2.0 4,-1.2 -5,-0.3 -1,-0.2 0.908 112.3 45.5 -50.0 -45.3 46.7 75.9 74.7 142 146 A E H X S+ 0 0 79 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.836 108.1 55.9 -71.7 -34.3 49.5 73.6 73.5 143 147 A A H X S+ 0 0 0 -4,-1.9 4,-2.4 -5,-0.2 5,-0.2 0.887 104.2 54.0 -64.7 -38.5 47.2 70.6 72.9 144 148 A I H X S+ 0 0 0 -4,-2.2 4,-1.6 1,-0.2 -1,-0.2 0.882 111.9 45.0 -63.4 -37.6 44.9 72.6 70.7 145 149 A S H X S+ 0 0 26 -4,-1.2 4,-2.3 -5,-0.2 -2,-0.2 0.897 111.1 51.0 -76.2 -40.1 47.9 73.6 68.5 146 150 A A H X S+ 0 0 11 -4,-2.2 4,-1.2 1,-0.2 -2,-0.2 0.942 111.9 47.8 -62.8 -45.7 49.4 70.2 68.3 147 151 A L H X S+ 0 0 0 -4,-2.4 4,-0.6 1,-0.2 3,-0.3 0.881 111.4 51.9 -62.0 -41.1 46.1 68.6 67.2 148 152 A Y H >< S+ 0 0 86 -4,-1.6 3,-0.7 -5,-0.2 4,-0.3 0.916 112.4 44.1 -60.0 -44.1 45.7 71.3 64.7 149 153 A Y H 3<>S+ 0 0 116 -4,-2.3 5,-1.5 1,-0.2 3,-0.4 0.564 90.8 82.5 -85.2 -7.9 49.1 70.8 63.1 150 154 A Y H ><5S+ 0 0 57 -4,-1.2 3,-1.2 -3,-0.3 -1,-0.2 0.860 85.5 61.4 -61.9 -35.4 49.0 67.0 63.1 151 155 A S T <<5S+ 0 0 42 -3,-0.7 2,-0.3 -4,-0.6 -1,-0.2 0.914 105.4 48.0 -55.2 -37.7 47.0 67.2 59.8 152 156 A T T 3 5S- 0 0 81 -3,-0.4 -1,-0.3 -4,-0.3 -2,-0.1 -0.226 117.9-104.4-105.4 43.9 50.0 69.0 58.2 153 157 A G T < 5S+ 0 0 73 -3,-1.2 -3,-0.2 -2,-0.3 -2,-0.1 0.349 92.9 114.1 59.0 -5.7 52.8 66.7 59.2 154 158 A G < + 0 0 63 -5,-1.5 2,-0.4 -6,-0.1 -4,-0.2 0.344 61.3 65.6 -80.2 1.7 53.9 69.2 61.8 155 159 A T S S- 0 0 18 -6,-0.4 2,-0.2 -5,-0.2 -2,-0.1 -0.990 72.9-139.0-132.5 125.3 53.1 67.1 64.9 156 160 A Q >> - 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0 0 70 -2,-0.3 3,-2.7 -3,-0.1 4,-0.9 -0.675 35.6 -97.5-102.9 167.4 55.2 32.2 18.4 804 134 I R G >4 S+ 0 0 9 1,-0.3 3,-0.6 -2,-0.2 -1,-0.1 0.816 125.0 55.9 -50.3 -36.6 54.1 29.0 16.6 805 135 I E G 34 S+ 0 0 105 1,-0.2 -1,-0.3 64,-0.2 64,-0.2 0.493 110.9 45.1 -79.6 -1.8 55.6 30.3 13.4 806 136 I N G <4 S+ 0 0 97 -3,-2.7 2,-0.7 62,-0.1 -1,-0.2 0.464 94.4 88.6-112.5 -7.7 59.0 30.7 15.1 807 137 I I S << S- 0 0 1 -4,-0.9 61,-0.1 -3,-0.6 -1,-0.1 -0.841 75.7-134.8-102.6 111.1 59.0 27.4 16.9 808 138 I E - 0 0 80 -2,-0.7 2,-0.4 61,-0.2 61,-0.3 -0.243 16.9-155.9 -63.6 147.4 60.5 24.6 14.7 809 139 I L B +W 868 0S 0 59,-1.7 59,-1.8 4,-0.1 2,-0.2 -0.929 35.0 96.9-123.3 147.9 58.8 21.3 14.5 810 140 I G S > S- 0 0 1 -2,-0.4 4,-2.6 57,-0.2 5,-0.2 -0.845 83.5 -68.9 158.9 173.1 60.2 17.9 13.7 811 141 I N H > S+ 0 0 37 55,-0.3 4,-1.5 -2,-0.2 5,-0.1 0.721 129.8 56.1 -61.1 -21.6 61.6 14.6 15.0 812 142 I G H > S+ 0 0 28 54,-0.4 4,-1.9 2,-0.2 3,-0.5 0.984 109.7 40.0 -65.3 -72.1 64.5 16.7 16.2 813 143 I P H > S+ 0 0 0 0, 0.0 4,-2.1 0, 0.0 -2,-0.2 0.748 114.4 56.7 -48.4 -30.6 62.4 19.2 18.3 814 144 I L H X S+ 0 0 0 -4,-2.6 4,-2.9 2,-0.2 5,-0.2 0.954 104.1 50.4 -69.3 -48.6 60.2 16.4 19.5 815 145 I E H X S+ 0 0 38 -4,-1.5 4,-1.4 -3,-0.5 -1,-0.2 0.915 115.8 43.6 -49.5 -46.7 63.2 14.4 20.9 816 146 I E H X S+ 0 0 80 -4,-1.9 4,-2.0 1,-0.2 -1,-0.2 0.851 111.3 54.6 -69.0 -35.9 64.2 17.6 22.7 817 147 I A H X S+ 0 0 0 -4,-2.1 4,-1.9 -5,-0.3 -2,-0.2 0.870 105.8 52.8 -65.6 -37.6 60.6 18.2 23.7 818 148 I I H X S+ 0 0 0 -4,-2.9 4,-1.7 1,-0.2 -1,-0.2 0.846 110.8 46.9 -65.8 -35.8 60.4 14.7 25.3 819 149 I S H X S+ 0 0 25 -4,-1.4 4,-2.4 -5,-0.2 -2,-0.2 0.884 108.5 54.4 -74.3 -37.5 63.5 15.4 27.4 820 150 I A H X S+ 0 0 11 -4,-2.0 4,-0.9 1,-0.2 -2,-0.2 0.935 110.4 46.4 -63.3 -44.6 62.4 18.8 28.5 821 151 I L H >X S+ 0 0 0 -4,-1.9 4,-0.7 1,-0.2 3,-0.7 0.910 112.7 50.5 -62.9 -43.5 59.1 17.4 29.8 822 152 I Y H >< S+ 0 0 78 -4,-1.7 3,-0.5 1,-0.2 4,-0.3 0.892 112.6 46.1 -59.8 -42.3 60.9 14.5 31.5 823 153 I Y H 3<>S+ 0 0 110 -4,-2.4 5,-1.3 1,-0.2 3,-0.5 0.524 92.0 79.7 -84.7 -6.4 63.4 16.8 33.3 824 154 I Y H X<5S+ 0 0 53 -4,-0.9 3,-1.3 -3,-0.7 5,-0.2 0.893 86.4 60.9 -64.0 -38.7 60.7 19.4 34.5 825 155 I S T <<5S+ 0 0 39 -4,-0.7 -1,-0.2 -3,-0.5 -2,-0.2 0.802 105.2 50.0 -54.8 -32.7 59.9 17.0 37.3 826 156 I T T 3 5S- 0 0 91 -3,-0.5 -1,-0.3 -4,-0.3 2,-0.3 -0.285 116.1-107.9-106.6 44.1 63.5 17.4 38.5 827 157 I G T < 5S+ 0 0 75 -3,-1.3 -3,-0.2 1,-0.2 -2,-0.1 0.367 91.7 111.1 54.0 -6.4 63.8 21.2 38.5 828 158 I G < + 0 0 63 -5,-1.3 2,-0.5 -2,-0.3 -4,-0.2 0.394 58.5 72.9 -81.7 2.3 66.1 21.1 35.4 829 159 I T S S- 0 0 19 -6,-0.4 -2,-0.1 -5,-0.2 -1,-0.0 -0.974 73.1-139.3-125.1 122.4 63.7 22.6 32.8 830 160 I Q > - 0 0 67 -2,-0.5 4,-1.4 1,-0.1 3,-0.3 -0.315 30.1-105.2 -79.0 159.7 62.9 26.3 32.8 831 161 I L H >> S+ 0 0 78 1,-0.2 4,-2.4 2,-0.2 3,-0.6 0.922 112.3 50.5 -56.9 -52.1 59.3 27.4 32.2 832 162 I P H 3> S+ 0 0 63 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.860 109.2 51.6 -59.0 -34.7 59.5 28.7 28.6 833 163 I T H 3> S+ 0 0 69 -3,-0.3 4,-1.9 2,-0.2 -2,-0.2 0.844 109.8 51.0 -70.6 -31.6 61.2 25.7 27.3 834 164 I L H S+ 0 0 0 -4,-3.5 5,-2.2 1,-0.2 4,-0.5 0.932 114.7 42.0 -60.2 -45.2 50.5 19.3 20.7 843 173 I Q H <>S+ 0 0 0 -4,-1.4 5,-0.5 -5,-0.3 -1,-0.2 0.896 117.9 45.8 -69.7 -39.1 51.1 20.2 17.0 844 174 I M H <5S+ 0 0 2 -4,-2.4 -1,-0.2 3,-0.2 -2,-0.2 0.683 130.2 21.2 -82.1 -15.3 53.0 17.0 16.2 845 175 I I T X5S+ 0 0 0 -4,-1.8 4,-2.5 -5,-0.2 -3,-0.2 0.751 130.6 30.2-110.2 -70.3 50.4 14.7 18.0 846 176 I S H >5S+ 0 0 0 -5,-0.5 4,-2.9 -4,-0.5 3,-0.3 0.971 126.7 39.6 -59.8 -60.7 47.0 16.4 18.5 847 177 I E H > S+ 0 0 63 69,-1.4 4,-2.7 -2,-0.4 70,-0.1 0.756 99.8 61.7 -76.8 -23.7 46.1 14.6 7.7 853 183 I Y H > S+ 0 0 51 68,-1.3 4,-2.6 2,-0.2 -1,-0.2 0.963 107.3 41.0 -61.9 -53.2 47.5 17.7 6.1 854 184 I I H > S+ 0 0 0 67,-0.3 4,-1.5 -7,-0.3 -2,-0.2 0.841 112.9 56.3 -64.9 -33.8 49.5 18.4 9.3 855 185 I E H X S+ 0 0 18 -4,-1.7 4,-2.0 -7,-0.3 -2,-0.2 0.930 109.1 47.3 -61.9 -40.6 50.2 14.7 9.5 856 186 I G H X S+ 0 0 23 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.917 105.9 56.9 -65.5 -43.8 51.7 15.0 6.1 857 187 I E H X S+ 0 0 25 -4,-2.6 4,-1.3 1,-0.2 -1,-0.2 0.800 111.4 44.2 -59.3 -29.8 53.7 18.1 7.0 858 188 I M H X S+ 0 0 1 -4,-1.5 4,-1.5 -3,-0.2 -1,-0.2 0.830 107.9 58.5 -82.6 -32.0 55.3 16.1 9.8 859 189 I R H X S+ 0 0 105 -4,-2.0 4,-2.3 1,-0.2 3,-0.3 0.929 107.7 46.5 -60.1 -45.4 55.8 13.1 7.6 860 190 I T H X S+ 0 0 96 -4,-2.3 4,-2.4 1,-0.2 6,-0.4 0.897 107.0 56.8 -65.4 -43.5 57.9 15.2 5.1 861 191 I R H <>S+ 0 0 19 -4,-1.3 5,-1.3 -5,-0.2 -1,-0.2 0.813 111.7 44.2 -57.8 -30.2 60.0 16.8 7.9 862 192 I I H ><5S+ 0 0 22 -4,-1.5 3,-0.8 -3,-0.3 -2,-0.2 0.881 111.7 52.5 -82.0 -39.3 60.9 13.2 9.0 863 193 I R H 3<5S+ 0 0 69 -4,-2.3 -2,-0.2 1,-0.3 -3,-0.2 0.986 118.9 33.9 -59.3 -60.5 61.6 11.9 5.5 864 194 I Y T 3<5S- 0 0 77 -4,-2.4 -1,-0.3 -5,-0.1 -2,-0.2 0.283 109.8-122.0 -82.5 13.1 64.0 14.7 4.6 865 195 I N T < 5 + 0 0 151 -3,-0.8 -3,-0.2 -5,-0.2 -4,-0.1 0.763 59.6 155.2 58.6 27.7 65.3 15.0 8.2 866 196 I R < - 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