==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-FEB-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 07-MAY-10 3MX8 . COMPND 2 MOLECULE: RIBONUCLEASE PANCREATIC, LINKER, RIBONUCLEASE PAN . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS, SYNTHETIC, BOS TAURUS; . AUTHOR F.LEICH,P.NEUMANN,H.LILIE,R.ULBRICH-HOFMANN,U.ARNOLD . 252 1 8 8 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13589.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 157 62.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 1.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 69 27.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.8 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 . 25 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 19 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 34 13.5 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 0 2 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 2 0 4 0 2 1 1 2 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 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 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 K 0 0 219 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 109.8 37.9 19.6 13.0 2 2 A E - 0 0 91 1,-0.1 2,-0.0 4,-0.1 5,-0.0 -0.527 360.0-131.7 -73.3 125.9 35.9 16.5 12.5 3 3 A T > - 0 0 72 -2,-0.3 4,-2.2 1,-0.1 5,-0.2 -0.358 20.8-113.2 -71.4 160.0 34.0 15.4 15.7 4 4 A A H > S+ 0 0 50 1,-0.2 4,-1.7 2,-0.2 -1,-0.1 0.853 119.4 52.8 -59.2 -39.3 34.2 11.8 16.8 5 5 A A H > S+ 0 0 25 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.857 109.7 48.5 -65.7 -36.1 30.5 11.3 16.0 6 6 A A H > S+ 0 0 36 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.862 107.7 54.3 -72.8 -37.5 31.1 12.7 12.5 7 7 A K H X S+ 0 0 96 -4,-2.2 4,-2.7 1,-0.2 5,-0.2 0.862 105.8 54.2 -64.9 -35.1 34.1 10.4 12.0 8 8 A F H X S+ 0 0 3 -4,-1.7 4,-2.8 2,-0.2 5,-0.5 0.925 108.9 47.5 -63.9 -43.6 31.9 7.4 12.9 9 9 A E H X S+ 0 0 78 -4,-1.6 4,-1.7 3,-0.2 -2,-0.2 0.925 113.9 48.0 -62.3 -44.8 29.3 8.4 10.3 10 10 A R H < S+ 0 0 62 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.940 122.1 33.7 -59.5 -48.8 32.0 8.8 7.7 11 11 A Q H < S+ 0 0 35 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.774 135.3 17.7 -82.2 -26.5 33.7 5.5 8.5 12 12 A H H < S+ 0 0 19 -4,-2.8 35,-2.9 -5,-0.2 2,-0.5 0.540 97.1 89.7-129.9 -8.5 30.8 3.4 9.4 13 13 A M B < +a 47 0A 9 -4,-1.7 35,-0.2 -5,-0.5 3,-0.1 -0.826 29.6 159.8 -99.7 130.2 27.4 4.7 8.3 14 14 A D + 0 0 10 33,-2.7 3,-0.4 -2,-0.5 36,-0.1 -0.472 15.1 145.2-140.9 72.9 25.8 3.9 4.9 15 15 A S + 0 0 53 1,-0.2 2,-1.7 33,-0.2 35,-0.1 0.854 59.3 78.8 -71.4 -38.1 22.1 4.7 5.1 16 16 A S S S+ 0 0 121 33,-0.1 2,-0.2 -3,-0.1 -1,-0.2 0.052 99.4 41.8 -71.3 33.0 21.8 5.9 1.5 17 17 A T S S- 0 0 43 -2,-1.7 -3,-0.1 -3,-0.4 3,-0.1 -0.773 74.2-138.4-175.1 135.9 21.8 2.3 0.3 18 18 A S S S- 0 0 105 -2,-0.2 2,-0.3 1,-0.1 30,-0.1 0.737 78.3 -18.1 -76.0 -25.5 20.0 -0.8 1.7 19 19 A A S S- 0 0 33 28,-0.1 2,-1.4 61,-0.0 -1,-0.1 -0.969 79.1 -75.7-164.6 175.3 22.9 -3.3 1.2 20 20 A A + 0 0 12 -2,-0.3 81,-0.1 61,-0.2 6,-0.1 -0.708 52.3 172.0 -83.9 91.0 26.2 -4.0 -0.5 21 21 A S + 0 0 113 -2,-1.4 -1,-0.2 3,-0.0 2,-0.1 0.999 54.8 46.5 -64.1 -69.9 24.8 -4.9 -3.9 22 22 A S S > S- 0 0 55 1,-0.1 3,-1.7 2,-0.0 4,-0.3 -0.356 78.3-125.3 -80.7 153.2 27.9 -5.2 -6.1 23 23 A S T 3 S+ 0 0 95 1,-0.3 76,-0.5 2,-0.1 4,-0.2 0.507 113.2 59.9 -69.7 -4.9 31.1 -7.0 -5.3 24 24 A N T 3> S+ 0 0 82 1,-0.1 4,-1.9 2,-0.1 -1,-0.3 0.327 74.2 103.8-101.8 4.7 32.9 -3.7 -6.0 25 25 A Y H <> S+ 0 0 14 -3,-1.7 4,-3.0 1,-0.2 3,-0.4 0.934 81.5 44.2 -52.4 -57.1 31.0 -1.9 -3.2 26 26 A a H > S+ 0 0 0 -4,-0.3 4,-3.1 1,-0.2 5,-0.4 0.912 107.8 60.3 -57.3 -44.2 33.8 -1.8 -0.7 27 27 A N H > S+ 0 0 51 70,-0.3 4,-0.8 -4,-0.2 -1,-0.2 0.893 114.8 34.9 -49.9 -43.8 36.3 -0.8 -3.4 28 28 A Q H X S+ 0 0 120 -4,-1.9 4,-2.4 -3,-0.4 -2,-0.2 0.907 119.9 47.2 -79.6 -42.7 34.2 2.3 -4.0 29 29 A M H X S+ 0 0 25 -4,-3.0 4,-1.8 1,-0.2 6,-0.2 0.878 108.7 53.2 -71.8 -38.0 33.1 3.1 -0.5 30 30 A M H <>S+ 0 0 0 -4,-3.1 5,-2.4 -5,-0.3 6,-0.4 0.876 113.6 45.6 -63.7 -35.5 36.5 2.6 1.2 31 31 A K H ><5S+ 0 0 121 -4,-0.8 3,-1.8 -5,-0.4 5,-0.3 0.957 112.8 46.8 -71.5 -53.1 37.9 5.1 -1.3 32 32 A S H 3<5S+ 0 0 77 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.757 108.3 56.0 -64.6 -26.9 35.1 7.8 -1.1 33 33 A R T 3<5S- 0 0 57 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.351 116.3-114.6 -87.9 8.7 35.1 7.7 2.7 34 34 A N T X 5S+ 0 0 90 -3,-1.8 3,-0.6 1,-0.1 4,-0.2 0.791 76.6 132.6 66.5 29.9 38.9 8.5 2.7 35 35 A L T 3 - 0 0 50 -2,-0.3 4,-2.2 1,-0.1 5,-0.2 -0.280 39.7-117.2 -60.7 152.8 19.2 5.0 9.1 51 51 A L H > S+ 0 0 55 1,-0.2 4,-3.5 2,-0.2 5,-0.2 0.884 116.0 53.7 -59.3 -41.3 21.3 7.2 11.4 52 52 A A H > S+ 0 0 61 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.881 106.9 51.0 -63.7 -41.1 18.5 7.3 14.0 53 53 A D H > S+ 0 0 83 2,-0.2 4,-0.5 1,-0.2 -1,-0.2 0.926 115.6 41.7 -62.3 -44.1 18.3 3.5 14.0 54 54 A V H >< S+ 0 0 0 -4,-2.2 3,-1.4 1,-0.2 4,-0.4 0.926 113.0 54.0 -69.7 -41.5 22.0 3.2 14.6 55 55 A Q H >< S+ 0 0 71 -4,-3.5 3,-1.3 1,-0.3 -2,-0.2 0.832 100.8 60.6 -60.2 -34.1 21.9 6.1 17.1 56 56 A A H >< S+ 0 0 31 -4,-2.1 3,-2.2 1,-0.2 -1,-0.3 0.718 85.1 77.8 -65.9 -19.5 19.2 4.3 19.1 57 57 A V G X< S+ 0 0 0 -3,-1.4 3,-2.2 -4,-0.5 -1,-0.2 0.826 79.2 71.7 -61.2 -25.5 21.6 1.5 19.7 58 58 A c G < S+ 0 0 6 -3,-1.3 -1,-0.3 -4,-0.4 -2,-0.2 0.601 99.7 46.5 -66.0 -9.9 23.2 3.7 22.3 59 59 A S G < S+ 0 0 22 -3,-2.2 -1,-0.3 -4,-0.1 84,-0.3 0.146 104.5 79.8-114.2 18.9 20.1 3.1 24.5 60 60 A Q S < S- 0 0 19 -3,-2.2 2,-0.7 1,-0.2 15,-0.2 0.139 93.6 -12.4-104.8-143.4 20.0 -0.7 23.9 61 61 A K E -D 74 0B 67 13,-1.4 13,-3.1 12,-0.1 2,-0.2 -0.423 64.9-141.9 -67.4 108.4 21.8 -3.7 25.3 62 62 A N E +D 73 0B 72 -2,-0.7 2,-0.3 11,-0.2 11,-0.3 -0.480 31.1 167.4 -68.0 130.1 24.8 -2.5 27.3 63 63 A V E -D 72 0B 31 9,-2.8 9,-1.1 -2,-0.2 2,-0.2 -0.954 41.2 -86.0-141.6 160.1 27.9 -4.8 26.9 64 64 A A - 0 0 82 -2,-0.3 6,-0.2 7,-0.1 2,-0.1 -0.469 44.4-125.8 -67.2 130.2 31.6 -4.7 27.7 65 65 A d > - 0 0 8 4,-3.2 3,-1.9 -2,-0.2 -1,-0.1 -0.460 19.8-116.4 -70.5 153.0 33.7 -3.1 25.0 66 66 A K T 3 S+ 0 0 158 1,-0.3 -1,-0.1 2,-0.1 -2,-0.1 0.775 116.4 57.4 -58.4 -28.8 36.6 -5.1 23.6 67 67 A N T 3 S- 0 0 117 2,-0.1 -1,-0.3 1,-0.0 3,-0.1 0.419 124.5-101.5 -86.8 3.0 39.0 -2.5 25.0 68 68 A G S < S+ 0 0 61 -3,-1.9 -2,-0.1 1,-0.3 2,-0.1 0.349 82.2 127.0 96.0 -6.7 37.7 -3.0 28.5 69 69 A Q - 0 0 115 1,-0.1 -4,-3.2 -5,-0.1 -1,-0.3 -0.404 57.5-137.5 -79.7 163.4 35.5 0.1 28.6 70 70 A T S S+ 0 0 103 -6,-0.2 -7,-0.1 1,-0.2 -1,-0.1 0.365 78.2 93.3-102.5 4.2 31.8 -0.2 29.6 71 71 A N + 0 0 26 -9,-0.1 39,-2.5 2,-0.0 2,-0.3 0.034 56.5 116.0 -95.0 30.0 30.2 2.1 27.0 72 72 A d E -DE 63 109B 0 -9,-1.1 -9,-2.8 37,-0.2 2,-0.4 -0.695 43.3-163.6 -99.6 155.3 29.4 -0.5 24.3 73 73 A Y E -DE 62 108B 33 35,-2.0 35,-2.0 -11,-0.3 2,-0.5 -0.997 9.6-149.6-145.4 127.8 25.9 -1.4 23.1 74 74 A Q E -DE 61 107B 35 -13,-3.1 -13,-1.4 -2,-0.4 33,-0.2 -0.860 28.5-116.4-103.2 131.7 24.5 -4.3 21.2 75 75 A S - 0 0 1 31,-2.0 4,-0.1 -2,-0.5 -18,-0.1 -0.355 8.3-142.6 -67.9 140.5 21.5 -3.7 18.9 76 76 A Y S S+ 0 0 21 -2,-0.1 2,-0.3 29,-0.1 -1,-0.1 0.859 87.9 51.7 -70.8 -32.4 18.3 -5.7 19.8 77 77 A S S S- 0 0 44 27,-0.1 29,-0.4 1,-0.0 2,-0.1 -0.757 91.5-110.1-104.9 150.1 17.6 -6.1 16.1 78 78 A T - 0 0 63 -2,-0.3 2,-0.3 27,-0.1 27,-0.3 -0.460 37.8-158.1 -70.2 151.4 19.9 -7.4 13.3 79 79 A M E - C 0 104A 6 25,-3.2 25,-1.7 -2,-0.1 2,-0.5 -0.900 23.7-101.2-131.0 155.4 21.0 -4.8 10.8 80 80 A S E + C 0 103A 13 -32,-0.3 -32,-2.7 -2,-0.3 2,-0.3 -0.681 53.2 164.3 -76.3 126.3 22.3 -4.8 7.2 81 81 A I E -BC 47 102A 0 21,-2.3 21,-2.2 -2,-0.5 2,-0.4 -0.950 29.8-144.0-139.0 160.6 26.0 -4.4 7.3 82 82 A T E -BC 46 101A 0 -36,-2.6 -36,-2.4 -2,-0.3 2,-0.5 -0.988 8.4-155.0-129.0 122.7 28.9 -4.8 4.9 83 83 A D E -BC 45 100A 49 17,-2.8 17,-2.4 -2,-0.4 2,-0.5 -0.829 9.7-159.7 -90.7 130.0 32.4 -6.1 6.0 84 84 A a E -BC 44 99A 0 -40,-3.1 -40,-1.9 -2,-0.5 2,-0.5 -0.962 9.8-177.2-110.1 124.5 35.2 -4.9 3.8 85 85 A R E -BC 43 98A 158 13,-1.8 13,-3.4 -2,-0.5 -42,-0.2 -0.987 30.0-116.9-122.6 124.9 38.4 -7.0 3.9 86 86 A E E - C 0 97A 55 -44,-3.0 11,-0.3 -2,-0.5 9,-0.0 -0.308 34.8-118.8 -56.8 136.4 41.5 -6.0 1.9 87 87 A T > - 0 0 45 9,-2.6 3,-0.8 1,-0.1 9,-0.2 -0.278 16.5-116.1 -72.8 163.4 42.4 -8.6 -0.7 88 88 A G T 3 S+ 0 0 91 1,-0.2 -1,-0.1 3,-0.0 -2,-0.1 0.809 117.3 46.1 -68.4 -29.0 45.8 -10.4 -0.6 89 89 A S T 3 S+ 0 0 113 2,-0.0 2,-0.3 6,-0.0 -1,-0.2 0.324 83.7 124.5 -99.2 5.7 46.7 -8.9 -4.0 90 90 A S < - 0 0 19 -3,-0.8 2,-0.4 6,-0.2 5,-0.2 -0.517 38.3-173.9 -67.7 127.0 45.6 -5.4 -3.0 91 91 A K B > -G 94 0C 162 3,-0.7 3,-1.6 -2,-0.3 -2,-0.0 -0.987 28.0 -82.9-127.7 128.7 48.3 -2.8 -3.4 92 92 A Y T 3 S+ 0 0 114 -2,-0.4 -56,-0.0 1,-0.3 4,-0.0 -0.386 110.4 25.6 -61.4 141.5 48.2 0.9 -2.4 93 93 A P T 3 S+ 0 0 73 0, 0.0 2,-1.0 0, 0.0 -1,-0.3 -0.988 125.9 53.2 -89.2 5.3 47.1 3.3 -3.8 94 94 A N B < S-G 91 0C 133 -3,-1.6 -3,-0.7 -54,-0.0 -2,-0.2 -0.429 81.4-171.3 -93.9 60.3 44.7 0.9 -5.6 95 95 A b - 0 0 18 -2,-1.0 2,-0.4 -5,-0.2 -64,-0.1 -0.194 5.6-153.9 -53.3 137.1 43.5 -0.8 -2.4 96 96 A A - 0 0 27 -9,-0.2 -9,-2.6 -56,-0.1 2,-0.4 -0.944 11.4-170.4-124.0 140.2 41.3 -3.8 -3.1 97 97 A Y E -C 86 0A 9 -2,-0.4 2,-0.6 -11,-0.3 -70,-0.3 -0.968 25.8-132.9-136.0 143.0 38.6 -5.3 -1.0 98 98 A K E -C 85 0A 139 -13,-3.4 -13,-1.8 -2,-0.4 2,-0.5 -0.854 31.1-143.2 -88.2 119.1 36.3 -8.3 -0.7 99 99 A T E -C 84 0A 25 -2,-0.6 2,-0.5 -76,-0.5 -15,-0.2 -0.736 20.1-175.2 -86.3 124.4 32.8 -7.0 -0.1 100 100 A T E -C 83 0A 60 -17,-2.4 -17,-2.8 -2,-0.5 2,-0.3 -0.971 8.5-157.5-128.0 120.9 30.8 -9.2 2.3 101 101 A Q E +C 82 0A 60 -2,-0.5 2,-0.3 -19,-0.2 -19,-0.2 -0.717 22.1 157.3 -93.4 142.0 27.1 -8.6 3.2 102 102 A A E -C 81 0A 27 -21,-2.2 -21,-2.3 -2,-0.3 2,-0.5 -0.991 39.8-129.9-154.6 164.4 25.4 -9.8 6.3 103 103 A N E +C 80 0A 102 -2,-0.3 2,-0.3 -23,-0.2 -23,-0.2 -0.963 52.5 132.3-115.9 111.5 22.6 -9.4 8.7 104 104 A K E -C 79 0A 55 -25,-1.7 -25,-3.2 -2,-0.5 2,-0.2 -0.926 58.8 -92.0-149.3 167.2 23.8 -9.3 12.3 105 105 A H E - F 0 124B 29 19,-3.0 19,-2.9 -2,-0.3 2,-0.3 -0.577 44.2-141.5 -81.0 150.8 23.6 -7.3 15.5 106 106 A I E - F 0 123B 0 -29,-0.4 -31,-2.0 17,-0.2 2,-0.4 -0.797 6.7-148.2-115.1 159.6 26.1 -4.6 15.9 107 107 A I E +EF 74 122B 17 15,-2.7 14,-3.2 -2,-0.3 15,-1.7 -0.989 22.1 175.5-129.0 121.3 28.1 -3.4 18.8 108 108 A V E -EF 73 120B 0 -35,-2.0 -35,-2.0 -2,-0.4 2,-0.4 -0.911 29.7-126.5-123.5 151.0 29.1 0.3 19.1 109 109 A A E -EF 72 119B 4 10,-1.9 9,-3.1 -2,-0.3 10,-1.5 -0.832 31.9-154.3 -91.4 133.6 30.8 2.5 21.7 110 110 A c E + F 0 117B 1 -39,-2.5 2,-0.3 -2,-0.4 5,-0.1 -0.857 19.3 161.4-117.6 149.7 28.8 5.6 22.6 111 111 A E E > + F 0 116B 91 5,-2.8 5,-2.5 -2,-0.3 -53,-0.0 -0.984 27.2 31.4-155.2 158.1 29.8 9.0 23.9 112 112 A G T 5S- 0 0 56 -2,-0.3 6,-0.0 3,-0.2 -2,-0.0 -0.032 82.1 -48.8 94.5 171.5 28.8 12.6 24.4 113 113 A N T 5S+ 0 0 169 2,-0.1 2,-0.2 1,-0.1 -1,-0.1 -0.901 134.9 40.8-122.6 102.5 25.8 14.7 25.0 114 114 A P T 5S- 0 0 96 0, 0.0 2,-1.1 0, 0.0 -3,-0.1 0.361 110.3-127.4 -73.5 161.8 23.9 13.7 22.9 115 115 A Y T 5 + 0 0 97 -2,-0.2 -3,-0.2 29,-0.1 -57,-0.2 -0.686 48.6 154.7 -88.2 98.6 24.9 10.1 23.5 116 116 A V E < -F 111 0B 22 -5,-2.5 -5,-2.8 -2,-1.1 2,-0.2 -0.763 48.2 -80.6-127.3 167.2 25.8 8.9 20.0 117 117 A P E +F 110 0B 5 0, 0.0 -7,-0.3 0, 0.0 -109,-0.2 -0.480 41.2 164.8 -70.9 135.3 28.0 6.2 18.4 118 118 A V E + 0 0 11 -9,-3.1 2,-0.3 1,-0.3 -8,-0.2 0.454 65.1 29.4-124.3 -14.7 31.7 7.0 18.2 119 119 A H E -F 109 0B 101 -10,-1.5 -10,-1.9 -107,-0.0 2,-0.6 -0.998 65.2-133.6-143.4 151.2 33.2 3.6 17.5 120 120 A F E +F 108 0B 36 -2,-0.3 -12,-0.3 -12,-0.2 3,-0.1 -0.923 27.9 174.6 -99.2 117.9 32.2 0.3 15.8 121 121 A D E - 0 0 34 -14,-3.2 2,-0.3 -2,-0.6 -13,-0.2 0.884 49.8 -44.5 -94.5 -43.8 33.2 -2.5 18.2 122 122 A A E -F 107 0B 18 -15,-1.7 -15,-2.7 2,-0.0 2,-0.4 -0.989 41.3-113.4-173.4 172.2 31.8 -5.7 16.6 123 123 A S E -F 106 0B 29 -2,-0.3 2,-0.4 -17,-0.2 -17,-0.2 -0.964 24.1-157.3-124.1 146.6 29.1 -7.7 14.9 124 124 A V E -F 105 0B 44 -19,-2.9 -19,-3.0 -2,-0.4 -2,-0.0 -0.986 7.7-142.3-129.5 128.4 27.2 -10.6 16.4 125 125 A G - 0 0 30 -2,-0.4 -21,-0.1 -21,-0.2 -19,-0.0 -0.432 49.1 -32.5 -86.0 163.2 25.3 -13.3 14.6 126 126 A P S S+ 0 0 99 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.225 94.2 12.9 -61.3 144.8 22.0 -15.0 15.7 127 127 A P + 0 0 121 0, 0.0 2,-0.3 0, 0.0 -2,-0.0 0.494 48.6 177.1-112.2-134.0 21.0 -15.5 18.4 128 128 A G - 0 0 73 -2,-0.1 2,-0.3 2,-0.0 0, 0.0 -0.980 20.7-122.5-170.7 172.1 21.5 -14.7 22.1 129 129 A K - 0 0 185 -2,-0.3 2,-0.3 0, 0.0 0, 0.0 -0.981 25.1-135.1-140.8 149.3 20.3 -15.2 25.7 130 130 A E - 0 0 62 -2,-0.3 2,-0.2 4,-0.0 -2,-0.0 -0.763 5.7-138.4-125.0 138.1 19.2 -12.7 28.4 131 131 A T > - 0 0 94 -2,-0.3 4,-3.0 1,-0.1 5,-0.3 -0.500 36.7-112.4 -81.0 156.2 19.5 -11.8 32.1 132 132 A A H > S+ 0 0 53 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.937 120.6 47.1 -53.2 -46.9 16.5 -10.6 34.1 133 133 A A H > S+ 0 0 25 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.891 112.5 49.5 -63.3 -38.8 18.1 -7.2 34.4 134 134 A A H > S+ 0 0 18 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.910 110.0 50.5 -65.3 -45.2 18.9 -7.1 30.7 135 135 A K H X S+ 0 0 96 -4,-3.0 4,-2.5 1,-0.2 5,-0.2 0.875 107.2 54.7 -60.6 -40.3 15.4 -8.1 29.7 136 136 A F H X S+ 0 0 4 -4,-2.1 4,-2.1 -5,-0.3 5,-0.3 0.899 108.7 48.7 -58.7 -41.3 14.0 -5.4 31.9 137 137 A E H X S+ 0 0 39 -4,-1.6 4,-1.7 2,-0.2 -2,-0.2 0.900 111.9 48.0 -69.2 -41.6 16.1 -2.8 30.1 138 138 A R H < S+ 0 0 31 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.910 120.6 37.1 -62.4 -42.7 15.0 -4.1 26.7 139 139 A Q H < S+ 0 0 32 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.768 132.9 18.6 -81.8 -25.7 11.3 -4.1 27.6 140 140 A H H < S+ 0 0 13 -4,-2.1 35,-3.0 -5,-0.2 2,-0.5 0.518 97.4 88.3-133.0 -7.4 11.0 -1.1 29.8 141 141 A M B < +h 175 0D 7 -4,-1.7 2,-0.2 -5,-0.3 35,-0.2 -0.880 29.3 162.4-107.7 123.4 13.9 1.4 29.3 142 142 A D + 0 0 5 33,-2.9 3,-0.4 -2,-0.5 -82,-0.1 -0.603 11.8 153.8-130.2 77.5 13.9 4.2 26.8 143 143 A S + 0 0 53 -84,-0.3 -1,-0.1 1,-0.2 33,-0.1 0.753 58.8 78.6 -73.8 -24.1 16.6 6.6 27.9 144 144 A S S S+ 0 0 76 -88,-0.1 2,-0.2 -85,-0.1 -1,-0.2 0.892 95.7 40.4 -52.5 -48.3 17.3 7.9 24.4 145 145 A T S S- 0 0 51 -3,-0.4 -3,-0.1 1,-0.1 3,-0.1 -0.643 71.2-133.2-107.9 160.4 14.3 10.2 24.2 146 146 A S S S- 0 0 103 -2,-0.2 2,-0.3 1,-0.2 30,-0.1 0.735 81.6 -43.8 -79.1 -24.8 12.6 12.6 26.6 147 147 A A S S- 0 0 24 28,-0.1 2,-0.3 82,-0.0 -1,-0.2 -0.950 83.8 -38.5-177.1-166.5 9.1 11.2 25.7 148 148 A A - 0 0 28 -2,-0.3 3,-0.1 61,-0.2 81,-0.1 -0.601 33.8-163.9 -80.3 138.1 6.8 10.1 22.9 149 149 A S S S- 0 0 113 -2,-0.3 2,-0.2 1,-0.1 -1,-0.1 0.795 71.2 -15.3 -89.3 -32.1 6.8 12.1 19.7 150 150 A S S S- 0 0 60 0, 0.0 3,-0.4 0, 0.0 4,-0.2 -0.726 78.4 -84.0-147.7-165.0 3.5 10.7 18.3 151 151 A S S S+ 0 0 72 -2,-0.2 4,-0.3 1,-0.2 76,-0.2 0.259 118.0 71.0 -95.3 9.4 0.9 8.0 18.8 152 152 A N > + 0 0 88 2,-0.1 4,-2.1 1,-0.1 5,-0.2 0.390 69.1 94.0 -99.6 -1.4 3.1 5.8 16.6 153 153 A Y H > S+ 0 0 14 -3,-0.4 4,-3.2 1,-0.2 5,-0.3 0.939 87.0 46.1 -51.0 -49.6 5.8 5.5 19.3 154 154 A e H > S+ 0 0 0 2,-0.2 4,-2.9 1,-0.2 5,-0.4 0.903 108.6 52.6 -69.8 -42.1 4.3 2.3 20.6 155 155 A N H > S+ 0 0 50 -4,-0.3 4,-1.2 70,-0.2 -1,-0.2 0.943 117.9 40.3 -55.0 -46.2 3.8 0.6 17.2 156 156 A Q H X S+ 0 0 131 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.953 119.9 42.2 -66.9 -53.1 7.5 1.3 16.5 157 157 A M H X S+ 0 0 23 -4,-3.2 4,-2.1 -5,-0.2 6,-0.3 0.855 109.6 55.7 -67.5 -39.3 8.9 0.5 19.9 158 158 A M H <>S+ 0 0 0 -4,-2.9 5,-2.8 -5,-0.3 6,-0.4 0.908 115.0 41.3 -61.0 -39.5 6.9 -2.6 20.6 159 159 A K H ><5S+ 0 0 126 -4,-1.2 3,-1.9 -5,-0.4 5,-0.3 0.949 114.8 48.5 -72.2 -49.0 8.2 -4.1 17.4 160 160 A S H 3<5S+ 0 0 48 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.737 108.7 53.8 -70.4 -22.2 11.8 -2.9 17.7 161 161 A R T 3<5S- 0 0 3 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.249 118.5-114.1 -92.4 14.7 12.1 -4.2 21.2 162 162 A N T X 5S+ 0 0 49 -3,-1.9 3,-0.6 1,-0.1 4,-0.2 0.756 77.2 132.2 64.7 29.9 10.9 -7.6 20.0 163 163 A L T 3 - 0 0 51 -2,-0.3 4,-2.1 1,-0.1 5,-0.2 -0.276 37.2-119.1 -65.0 153.8 18.3 7.6 32.9 179 179 A L H > S+ 0 0 54 1,-0.2 4,-3.4 2,-0.2 5,-0.3 0.919 114.7 54.4 -58.4 -45.2 19.3 4.1 33.9 180 180 A A H > S+ 0 0 64 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.856 108.0 49.5 -59.1 -36.7 20.8 5.5 37.2 181 181 A D H > S+ 0 0 82 2,-0.2 4,-0.5 1,-0.2 -1,-0.2 0.930 115.0 43.8 -66.8 -43.4 17.5 7.2 38.1 182 182 A V H >< S+ 0 0 0 -4,-2.1 3,-1.0 1,-0.2 4,-0.3 0.903 114.3 49.1 -68.3 -41.3 15.6 4.0 37.4 183 183 A Q H >< S+ 0 0 66 -4,-3.4 3,-1.8 1,-0.3 -1,-0.2 0.878 102.4 63.6 -65.3 -38.0 18.1 1.8 39.2 184 184 A A H >< S+ 0 0 43 -4,-2.1 3,-1.9 1,-0.3 -1,-0.3 0.719 85.8 74.9 -54.8 -24.8 18.0 4.2 42.1 185 185 A V G X< S+ 0 0 0 -3,-1.0 3,-2.2 -4,-0.5 -1,-0.3 0.795 79.0 72.7 -63.3 -23.5 14.3 3.3 42.6 186 186 A g G < S+ 0 0 3 -3,-1.8 -1,-0.3 -4,-0.3 -2,-0.2 0.571 101.0 45.3 -67.7 -8.0 15.5 -0.0 44.1 187 187 A S G < S+ 0 0 99 -3,-1.9 -1,-0.3 -4,-0.1 -2,-0.2 0.063 103.2 82.2-119.2 21.1 16.5 2.0 47.1 188 188 A Q S < S- 0 0 41 -3,-2.2 2,-0.5 1,-0.2 15,-0.2 0.062 94.1 -14.6-106.7-143.5 13.4 4.1 47.4 189 189 A K E -K 202 0E 100 13,-1.2 13,-2.7 1,-0.1 2,-0.3 -0.408 67.0-140.5 -67.9 111.4 9.9 3.5 48.9 190 190 A N E +K 201 0E 87 -2,-0.5 2,-0.3 11,-0.2 11,-0.3 -0.541 33.5 160.7 -74.6 128.3 9.5 -0.3 49.6 191 191 A V E -K 200 0E 39 9,-2.8 9,-1.3 -2,-0.3 2,-0.2 -0.893 42.6 -89.3-139.7 165.5 6.1 -1.6 48.8 192 192 A A - 0 0 62 -2,-0.3 6,-0.3 7,-0.1 2,-0.1 -0.551 40.5-126.1 -76.8 147.1 4.4 -5.0 48.0 193 193 A h > - 0 0 10 4,-3.8 3,-1.8 -2,-0.2 -1,-0.1 -0.407 30.1-101.1 -82.0 168.2 4.3 -6.2 44.4 194 194 A K T 3 S+ 0 0 159 1,-0.3 -1,-0.1 -2,-0.1 -2,-0.0 0.842 123.1 57.7 -58.0 -34.4 1.1 -7.2 42.8 195 195 A N T 3 S- 0 0 108 1,-0.1 -1,-0.3 2,-0.1 3,-0.1 0.443 122.1-104.6 -80.4 0.6 2.0 -10.8 43.4 196 196 A G S < S+ 0 0 55 -3,-1.8 -2,-0.1 1,-0.4 2,-0.1 0.304 80.4 126.8 95.6 -10.9 2.3 -10.3 47.1 197 197 A Q - 0 0 115 1,-0.1 -4,-3.8 -5,-0.1 -1,-0.4 -0.411 56.6-138.2 -76.3 161.4 6.1 -10.3 47.3 198 198 A T S S+ 0 0 95 -6,-0.3 -6,-0.1 1,-0.2 -1,-0.1 -0.060 75.3 99.0-116.1 31.1 7.8 -7.4 49.0 199 199 A N + 0 0 38 -9,-0.1 39,-2.7 2,-0.0 2,-0.3 -0.150 60.1 111.6-105.8 36.2 10.7 -6.7 46.7 200 200 A h E -KL 191 237E 0 -9,-1.3 -9,-2.8 37,-0.3 2,-0.4 -0.803 46.6-165.9-111.1 152.4 8.9 -3.8 45.0 201 201 A Y E -KL 190 236E 32 35,-2.5 35,-2.2 -2,-0.3 2,-0.5 -0.999 12.6-144.8-143.0 137.6 9.8 -0.1 45.2 202 202 A Q E -KL 189 235E 35 -13,-2.7 -13,-1.2 -2,-0.4 33,-0.2 -0.901 30.9-114.5-105.0 128.9 7.9 3.0 44.2 203 203 A S - 0 0 0 31,-2.5 -18,-0.1 -2,-0.5 4,-0.1 -0.309 13.5-137.1 -61.2 140.2 10.0 5.9 42.8 204 204 A Y S S+ 0 0 150 29,-0.1 2,-0.3 2,-0.1 -1,-0.2 0.832 88.0 50.6 -63.7 -30.5 9.9 9.0 45.1 205 205 A S S S- 0 0 70 27,-0.1 29,-0.4 1,-0.1 2,-0.1 -0.712 90.7-107.2-111.2 155.3 9.5 11.1 42.0 206 206 A T - 0 0 67 -2,-0.3 2,-0.3 27,-0.2 27,-0.3 -0.455 40.9-157.8 -66.1 153.8 7.2 11.1 39.0 207 207 A M E - J 0 232D 12 25,-2.3 25,-1.8 -2,-0.1 2,-0.5 -0.976 23.8-101.1-134.4 153.6 9.0 9.9 35.8 208 208 A S E + J 0 231D 10 -32,-0.4 -32,-3.1 -2,-0.3 2,-0.3 -0.600 55.8 164.6 -70.9 119.1 8.4 10.4 32.1 209 209 A I E -IJ 175 230D 0 21,-3.1 21,-2.2 -2,-0.5 2,-0.4 -0.868 32.8-141.1-133.2 166.1 6.8 7.2 30.8 210 210 A T E -IJ 174 229D 0 -36,-2.5 -36,-2.4 -2,-0.3 2,-0.6 -0.982 11.7-150.6-131.5 124.2 4.9 5.8 27.9 211 211 A D E -IJ 173 228D 38 17,-3.2 17,-2.1 -2,-0.4 2,-0.6 -0.829 10.6-166.5 -92.6 116.3 2.0 3.3 28.1 212 212 A e E +IJ 172 227D 0 -40,-2.5 -40,-2.4 -2,-0.6 2,-0.4 -0.918 12.9 172.1-103.4 117.4 1.7 1.0 25.2 213 213 A R E -IJ 171 226D 143 13,-1.7 13,-2.6 -2,-0.6 -42,-0.2 -0.990 33.4-116.4-130.6 127.4 -1.6 -0.9 25.1 214 214 A E E - J 0 225D 49 -44,-3.3 11,-0.3 -2,-0.4 2,-0.1 -0.214 34.7-112.0 -57.7 147.8 -2.8 -3.0 22.2 215 215 A T > - 0 0 47 9,-2.5 3,-0.8 1,-0.1 9,-0.2 -0.449 22.0-116.0 -77.8 157.1 -5.9 -1.8 20.4 216 216 A G T 3 S+ 0 0 94 1,-0.2 -1,-0.1 -2,-0.1 -2,-0.1 0.703 117.5 46.5 -67.3 -21.0 -9.1 -3.9 20.7 217 217 A S T 3 S+ 0 0 109 2,-0.0 -1,-0.2 7,-0.0 -3,-0.0 0.577 86.5 117.3 -92.8 -12.6 -9.0 -4.6 17.0 218 218 A S < + 0 0 13 -3,-0.8 2,-0.3 6,-0.2 5,-0.2 -0.240 39.7 179.2 -60.1 142.7 -5.3 -5.5 16.9 219 219 A K B > -N 222 0F 162 3,-1.5 3,-2.0 -52,-0.0 -2,-0.0 -0.969 31.1 -70.8-149.7 131.2 -4.5 -9.0 15.8 220 220 A Y T 3 S+ 0 0 114 1,-0.3 -54,-0.0 -2,-0.3 -53,-0.0 -0.309 114.6 20.8 -61.6 144.1 -1.2 -10.8 15.4 221 221 A P T 3 S+ 0 0 91 0, 0.0 2,-1.1 0, 0.0 -1,-0.3 -0.952 123.9 60.7 -86.4 12.3 1.0 -10.5 13.4 222 222 A N B < S-N 219 0F 137 -3,-2.0 -3,-1.5 2,-0.0 2,-0.6 -0.661 76.2-175.8 -94.8 77.8 -0.5 -7.1 12.8 223 223 A f - 0 0 23 -2,-1.1 2,-0.4 -5,-0.2 -64,-0.1 -0.644 2.3-173.1 -81.4 114.2 -0.0 -5.7 16.3 224 224 A A - 0 0 33 -2,-0.6 -9,-2.5 -9,-0.2 2,-0.3 -0.881 3.3-172.8-109.1 142.1 -1.5 -2.2 16.8 225 225 A Y E -J 214 0D 8 -2,-0.4 2,-0.4 -11,-0.3 -70,-0.2 -0.908 23.0-132.8-129.9 153.2 -1.0 -0.0 19.9 226 226 A K E -J 213 0D 115 -13,-2.6 -13,-1.7 -2,-0.3 2,-0.6 -0.905 26.4-141.4-101.1 139.3 -2.3 3.2 21.4 227 227 A T E -J 212 0D 20 -2,-0.4 2,-0.5 -76,-0.2 -15,-0.2 -0.882 18.9-177.1-106.5 121.5 0.5 5.4 22.8 228 228 A T E -J 211 0D 58 -17,-2.1 -17,-3.2 -2,-0.6 2,-0.4 -0.973 10.2-156.3-122.7 124.5 -0.1 7.3 26.0 229 229 A Q E +J 210 0D 65 -2,-0.5 2,-0.3 -19,-0.2 -19,-0.2 -0.776 26.6 152.0-100.0 140.3 2.5 9.6 27.4 230 230 A A E -J 209 0D 22 -21,-2.2 -21,-3.1 -2,-0.4 2,-0.5 -0.966 43.9-126.0-158.7 167.0 2.5 10.4 31.1 231 231 A N E +J 208 0D 104 -2,-0.3 2,-0.3 -23,-0.2 -23,-0.2 -0.908 51.0 137.2-126.3 102.8 4.4 11.5 34.2 232 232 A K E -J 207 0D 60 -25,-1.8 -25,-2.3 -2,-0.5 2,-0.3 -0.907 57.2 -93.1-140.3 161.0 3.9 9.0 37.1 233 233 A H - 0 0 49 19,-1.9 19,-2.6 -2,-0.3 2,-0.3 -0.605 43.4-140.9 -71.8 140.3 5.8 7.2 39.8 234 234 A I E - M 0 251E 0 -29,-0.4 -31,-2.5 -2,-0.3 2,-0.5 -0.704 5.2-148.9 -98.5 157.4 6.9 3.8 38.7 235 235 A I E +LM 202 250E 19 15,-2.9 14,-2.2 -2,-0.3 15,-1.6 -0.985 22.2 177.8-126.8 119.3 6.9 0.6 40.8 236 236 A V E -LM 201 248E 0 -35,-2.2 -35,-2.5 -2,-0.5 2,-0.4 -0.870 28.0-130.7-120.3 151.3 9.5 -1.9 40.0 237 237 A A E -LM 200 247E 4 10,-2.5 9,-3.0 -2,-0.3 10,-1.3 -0.863 30.3-158.6 -95.3 136.9 10.5 -5.3 41.5 238 238 A g E + M 0 245E 1 -39,-2.7 2,-0.3 -2,-0.4 5,-0.1 -0.877 15.1 168.6-119.8 151.6 14.2 -5.5 42.2 239 239 A E E > + M 0 244E 116 5,-2.4 5,-1.3 -2,-0.3 -106,-0.1 -0.992 31.2 16.0-159.5 148.8 16.5 -8.5 42.6 240 240 A G T 5S- 0 0 29 -2,-0.3 -2,-0.0 3,-0.2 0, 0.0 -0.098 85.9 -35.7 89.9-179.5 20.2 -9.6 42.9 241 241 A N T 5S+ 0 0 168 2,-0.1 2,-0.2 1,-0.1 -1,-0.1 -0.954 133.4 39.4-127.7 108.8 23.5 -8.1 43.5 242 242 A P T 5S- 0 0 99 0, 0.0 2,-1.1 0, 0.0 -3,-0.2 0.438 107.7-129.4 -63.9 152.7 23.7 -5.4 42.2 243 243 A Y T 5 + 0 0 90 -2,-0.2 -3,-0.2 -5,-0.1 -57,-0.2 -0.671 50.5 151.5 -83.6 96.4 20.1 -4.8 43.4 244 244 A V E < -M 239 0E 23 -5,-1.3 -5,-2.4 -2,-1.1 2,-0.1 -0.761 49.3 -73.2-127.5 168.6 18.4 -3.7 40.2 245 245 A P E +M 238 0E 5 0, 0.0 -7,-0.3 0, 0.0 -109,-0.2 -0.379 42.5 162.5 -66.2 138.4 15.0 -3.7 38.4 246 246 A V E + 0 0 16 -9,-3.0 2,-0.3 1,-0.4 -8,-0.2 0.382 66.1 29.6-132.2 -9.4 13.8 -7.1 37.0 247 247 A H E -M 237 0E 121 -10,-1.3 -10,-2.5 -111,-0.0 2,-0.8 -0.969 65.1-134.8-152.4 140.8 10.0 -6.4 36.6 248 248 A F E +M 236 0E 33 -2,-0.3 -12,-0.2 -12,-0.2 3,-0.1 -0.864 27.3 177.4 -92.1 109.8 7.8 -3.4 35.9 249 249 A D E - 0 0 38 -14,-2.2 2,-0.3 -2,-0.8 -13,-0.2 0.904 51.7 -58.2 -82.2 -44.4 5.0 -3.8 38.4 250 250 A A E -M 235 0E 18 -15,-1.6 -15,-2.9 2,-0.0 2,-0.3 -0.958 39.0-117.7 178.3 171.5 2.9 -0.7 37.8 251 251 A S E M 234 0E 22 -2,-0.3 -17,-0.2 -17,-0.3 -49,-0.0 -0.916 360.0 360.0-126.7 156.6 2.9 3.1 37.7 252 252 A V 0 0 102 -19,-2.6 -19,-1.9 -2,-0.3 -2,-0.0 -0.975 360.0 360.0-146.7 360.0 0.8 5.2 39.9