==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 30-SEP-01 1J4G . COMPND 2 MOLECULE: TRICHOSANTHIN DELTA C7; . SOURCE 2 ORGANISM_SCIENTIFIC: TRICHOSANTHES KIRILOWII; . AUTHOR Y.DING,H.M.TOO,Z.L.WANG,Y.W.LIU,Y.C.DONG,P.C.SHAW,Z.H.RAO . 964 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 43112.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 677 70.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 39 4.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 148 15.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 8 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 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 . 53 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 103 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 297 30.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 21 2.2 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 7 2 2 0 6 4 0 1 4 2 2 0 0 3 0 0 2 2 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 5 1 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 . 8 0 1 8 5 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 ANTIPARALLEL BRIDGES PER LADDER . 8 0 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 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 0 A M 0 0 124 0, 0.0 2,-0.7 0, 0.0 446,-0.2 0.000 360.0 360.0 360.0 164.3 36.2 28.6 23.6 2 1 A D - 0 0 30 444,-2.4 2,-0.8 49,-0.0 49,-0.1 -0.720 360.0-151.2 -79.7 112.6 35.2 32.1 24.9 3 2 A V + 0 0 5 -2,-0.7 49,-2.3 47,-0.4 2,-0.3 -0.798 32.7 151.9 -92.1 108.6 35.8 34.2 21.8 4 3 A S E -a 52 0A 42 -2,-0.8 2,-0.4 47,-0.2 49,-0.2 -0.894 32.6-156.0-136.2 165.1 36.6 37.7 22.9 5 4 A F E -a 53 0A 6 47,-2.1 49,-2.3 -2,-0.3 2,-0.6 -0.987 6.3-159.4-142.8 127.8 38.5 40.8 21.9 6 5 A R E -a 54 0A 134 -2,-0.4 49,-0.2 47,-0.2 50,-0.1 -0.948 6.2-166.3-110.5 119.8 39.9 43.5 24.1 7 6 A L S > S+ 0 0 2 47,-2.9 3,-1.8 -2,-0.6 2,-0.9 0.792 74.3 86.7 -71.3 -27.7 40.6 46.8 22.5 8 7 A S T 3 S+ 0 0 71 47,-0.4 -1,-0.1 46,-0.3 -2,-0.0 -0.661 110.2 8.1 -75.8 107.1 42.5 47.8 25.6 9 8 A G T 3 S+ 0 0 73 -2,-0.9 -1,-0.3 1,-0.2 -2,-0.1 0.451 98.0 158.2 99.2 4.4 45.9 46.4 24.7 10 9 A A < + 0 0 17 -3,-1.8 2,-0.3 166,-0.1 -1,-0.2 -0.223 16.3 178.7 -66.1 150.2 45.0 45.5 21.1 11 10 A T > - 0 0 68 1,-0.1 4,-2.0 165,-0.0 5,-0.2 -0.893 48.2 -98.0-139.9 167.1 47.4 45.0 18.3 12 11 A S H > S+ 0 0 60 -2,-0.3 4,-2.1 1,-0.2 5,-0.1 0.928 126.0 50.9 -53.6 -42.4 47.0 44.0 14.6 13 12 A S H > S+ 0 0 96 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.865 106.0 51.5 -65.5 -40.5 47.9 40.5 15.7 14 13 A S H > S+ 0 0 41 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.858 110.6 50.1 -68.3 -30.3 45.4 40.3 18.6 15 14 A Y H X S+ 0 0 0 -4,-2.0 4,-2.5 2,-0.2 5,-0.2 0.924 109.4 52.0 -70.2 -39.6 42.6 41.4 16.2 16 15 A G H X S+ 0 0 18 -4,-2.1 4,-2.2 -5,-0.2 -2,-0.2 0.883 109.7 49.3 -62.0 -37.3 43.7 38.7 13.7 17 16 A V H X S+ 0 0 83 -4,-2.1 4,-2.9 2,-0.2 -1,-0.2 0.905 109.2 52.1 -68.5 -41.2 43.5 36.1 16.4 18 17 A F H X S+ 0 0 3 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.921 112.7 44.7 -59.5 -45.2 40.0 37.2 17.4 19 18 A I H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.900 112.4 51.3 -69.1 -39.0 38.8 37.0 13.9 20 19 A S H X S+ 0 0 43 -4,-2.2 4,-2.1 -5,-0.2 -2,-0.2 0.940 111.8 48.0 -61.6 -45.2 40.5 33.6 13.4 21 20 A N H X S+ 0 0 31 -4,-2.9 4,-0.9 2,-0.2 -2,-0.2 0.861 109.1 53.6 -62.1 -40.3 38.8 32.4 16.6 22 21 A L H >< S+ 0 0 1 -4,-2.3 3,-1.1 1,-0.2 4,-0.4 0.951 108.8 48.8 -62.2 -47.0 35.4 33.8 15.4 23 22 A R H >< S+ 0 0 38 -4,-2.4 3,-1.5 1,-0.3 -2,-0.2 0.896 108.3 55.2 -58.8 -42.0 35.7 31.8 12.1 24 23 A K H 3< S+ 0 0 159 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.656 97.8 63.2 -64.5 -19.5 36.6 28.7 14.1 25 24 A A T << S+ 0 0 44 -3,-1.1 -1,-0.3 -4,-0.9 -2,-0.2 0.545 86.1 91.5 -80.7 -8.4 33.4 29.0 16.1 26 25 A L S < S- 0 0 3 -3,-1.5 42,-0.0 -4,-0.4 40,-0.0 -0.789 80.8-126.6 -93.0 122.5 31.4 28.5 13.0 27 26 A P - 0 0 39 0, 0.0 12,-0.8 0, 0.0 2,-0.4 -0.307 23.5-143.0 -62.6 150.1 30.4 24.9 12.1 28 27 A N E -F 38 0B 55 10,-0.2 10,-0.2 1,-0.1 3,-0.1 -0.935 18.1-156.8-117.0 139.2 31.4 23.8 8.6 29 28 A E E S- 0 0 92 8,-2.9 2,-0.3 1,-0.4 -1,-0.1 0.868 78.2 -63.9 -75.2 -38.6 29.3 21.5 6.3 30 29 A R E -F 37 0B 150 7,-0.8 7,-2.9 -3,-0.1 -1,-0.4 -0.900 61.6 -83.3-179.9-161.3 32.7 20.8 4.7 31 30 A K E -F 36 0B 116 -2,-0.3 2,-0.4 5,-0.3 -3,-0.0 -0.934 25.6-160.3-127.5 153.2 35.3 22.8 2.7 32 31 A L E > S-F 35 0B 17 3,-2.4 3,-2.1 -2,-0.3 169,-0.0 -0.995 81.5 -11.7-133.7 126.0 35.4 23.8 -1.0 33 32 A Y T 3 S- 0 0 91 -2,-0.4 -1,-0.1 1,-0.3 167,-0.0 0.888 130.8 -55.1 49.2 43.4 38.7 24.8 -2.5 34 33 A D T 3 S+ 0 0 152 1,-0.2 -1,-0.3 -3,-0.0 -3,-0.0 0.547 115.9 115.7 69.9 11.1 40.2 25.1 1.0 35 34 A I E < S-F 32 0B 9 -3,-2.1 -3,-2.4 205,-0.0 -1,-0.2 -0.931 71.9-111.3-114.2 129.8 37.4 27.5 2.2 36 35 A P E -F 31 0B 26 0, 0.0 205,-2.2 0, 0.0 2,-0.6 -0.353 23.8-146.6 -60.0 135.4 34.9 26.5 4.9 37 36 A L E -F 30 0B 14 -7,-2.9 -8,-2.9 204,-0.2 -7,-0.8 -0.920 21.8-128.3-102.1 119.3 31.3 26.1 3.6 38 37 A L E -F 28 0B 8 -2,-0.6 2,-0.3 -10,-0.2 -10,-0.2 -0.298 28.9 -95.3 -67.6 154.5 28.8 27.2 6.3 39 38 A R - 0 0 93 -12,-0.8 3,-0.1 28,-0.3 -1,-0.1 -0.566 29.3-148.4 -66.3 130.1 26.0 24.9 7.3 40 39 A S S S+ 0 0 95 -2,-0.3 2,-0.3 1,-0.2 -1,-0.2 0.732 79.3 17.3 -73.2 -25.1 22.9 26.0 5.2 41 40 A S + 0 0 96 2,-0.0 -1,-0.2 -3,-0.0 0, 0.0 -0.969 63.6 170.7-152.8 138.4 20.6 25.0 8.1 42 41 A L - 0 0 35 -2,-0.3 2,-0.2 -3,-0.1 5,-0.1 -0.982 37.5-106.5-144.0 150.2 20.8 24.3 11.7 43 42 A P >> - 0 0 80 0, 0.0 3,-2.8 0, 0.0 4,-1.0 -0.498 45.9-103.4 -73.4 146.7 18.3 23.7 14.6 44 43 A G H >> S+ 0 0 16 1,-0.3 3,-0.7 2,-0.2 4,-0.6 0.786 116.8 61.5 -42.3 -41.8 18.1 26.7 16.9 45 44 A S H 34 S+ 0 0 88 1,-0.2 -1,-0.3 2,-0.1 0, 0.0 0.659 116.0 31.9 -65.3 -14.8 20.1 25.1 19.7 46 45 A Q H <4 S+ 0 0 126 -3,-2.8 -1,-0.2 1,-0.1 -2,-0.2 0.446 103.2 81.1-118.7 -0.8 23.2 24.8 17.4 47 46 A R H << S+ 0 0 65 -4,-1.0 20,-2.7 -3,-0.7 21,-0.4 0.643 78.8 63.1 -84.9 -18.3 22.6 27.9 15.3 48 47 A Y E < - B 0 66A 26 -4,-0.6 2,-0.3 18,-0.2 18,-0.2 -0.889 53.2-172.5-119.5 143.0 23.9 30.8 17.3 49 48 A A E - B 0 65A 17 16,-2.0 16,-3.0 -2,-0.4 2,-0.3 -0.904 13.4-140.0-126.3 153.6 27.3 31.8 18.6 50 49 A L E - B 0 64A 58 -2,-0.3 -47,-0.4 14,-0.2 2,-0.3 -0.865 13.8-177.2-115.7 150.6 28.5 34.6 20.9 51 50 A I E - B 0 63A 2 12,-1.5 12,-3.4 -2,-0.3 2,-0.4 -0.960 17.8-142.2-137.9 149.3 31.6 36.9 20.8 52 51 A H E -aB 4 62A 15 -49,-2.3 -47,-2.1 -2,-0.3 2,-0.4 -0.963 12.3-167.2-122.5 135.9 32.5 39.5 23.4 53 52 A L E -aB 5 61A 0 8,-3.0 8,-3.0 -2,-0.4 2,-0.4 -0.984 3.5-166.9-127.5 132.4 34.0 42.9 22.8 54 53 A T E -aB 6 60A 2 -49,-2.3 -47,-2.9 -2,-0.4 -46,-0.3 -0.949 13.9-144.8-117.4 126.9 35.5 45.3 25.4 55 54 A N > - 0 0 0 4,-2.4 3,-1.7 -2,-0.4 -47,-0.4 -0.138 41.6 -84.6 -79.2-177.2 36.3 48.9 24.5 56 55 A Y T 3 S+ 0 0 95 1,-0.3 -1,-0.1 -49,-0.2 79,-0.0 0.858 128.9 56.0 -59.8 -31.4 39.2 50.9 25.9 57 56 A A T 3 S- 0 0 53 77,-0.1 -1,-0.3 2,-0.1 226,-0.1 0.206 119.3-107.3 -88.4 18.8 37.2 51.8 29.0 58 57 A D S < S+ 0 0 16 -3,-1.7 2,-0.5 1,-0.2 224,-0.2 0.802 72.1 142.2 60.4 35.6 36.5 48.1 29.9 59 58 A E - 0 0 23 222,-0.1 -4,-2.4 -4,-0.0 2,-0.4 -0.902 36.7-151.2-103.1 132.8 32.9 48.3 28.9 60 59 A T E -B 54 0A 8 -2,-0.5 18,-0.6 -6,-0.2 2,-0.4 -0.865 19.3-172.3-116.4 136.9 31.7 45.1 27.2 61 60 A I E -BC 53 77A 0 -8,-3.0 -8,-3.0 -2,-0.4 2,-0.4 -0.956 17.0-146.1-118.5 141.7 29.1 44.2 24.6 62 61 A S E -BC 52 76A 2 14,-2.5 14,-2.5 -2,-0.4 2,-0.4 -0.915 16.6-151.2-102.5 137.7 28.3 40.6 23.8 63 62 A V E -BC 51 75A 0 -12,-3.4 -12,-1.5 -2,-0.4 2,-0.5 -0.930 4.4-145.5-118.9 131.8 27.3 39.9 20.2 64 63 A A E -BC 50 74A 0 10,-2.6 9,-2.8 -2,-0.4 10,-0.9 -0.809 18.5-167.4 -94.8 127.3 25.0 37.1 18.8 65 64 A I E -BC 49 72A 1 -16,-3.0 -16,-2.0 -2,-0.5 2,-0.8 -0.947 23.1-133.2-118.8 137.3 25.9 35.6 15.4 66 65 A D E >>> -BC 48 71A 0 5,-2.9 4,-1.6 -2,-0.4 3,-1.4 -0.776 20.2-154.7 -84.6 112.1 23.8 33.3 13.1 67 66 A V T 345S+ 0 0 3 -20,-2.7 -28,-0.3 -2,-0.8 -1,-0.1 0.623 84.3 71.0 -67.2 -12.3 26.4 30.6 12.1 68 67 A T T 345S- 0 0 19 -21,-0.4 -1,-0.3 1,-0.1 -30,-0.1 0.764 125.7 -0.3 -73.2 -24.8 24.7 29.8 8.9 69 68 A N T <45S- 0 0 34 -3,-1.4 -2,-0.2 2,-0.1 -1,-0.1 0.263 94.3-111.0-149.9 11.8 25.7 33.1 7.3 70 69 A V T <5 + 0 0 0 -4,-1.6 -3,-0.2 1,-0.2 2,-0.1 0.578 62.7 155.4 63.6 11.0 27.7 35.1 9.8 71 70 A Y E < -C 66 0A 116 -5,-0.6 -5,-2.9 -6,-0.1 2,-0.4 -0.452 46.7-120.8 -69.3 142.8 24.9 37.7 10.1 72 71 A I E -C 65 0A 6 -7,-0.2 -7,-0.2 38,-0.2 3,-0.1 -0.693 27.9-175.9 -82.7 132.3 24.8 39.6 13.4 73 72 A M E - 0 0 0 -9,-2.8 11,-2.8 -2,-0.4 2,-0.3 0.723 55.1 -52.1-100.0 -31.5 21.4 39.0 15.2 74 73 A G E -CD 64 83A 2 -10,-0.9 -10,-2.6 9,-0.3 -1,-0.4 -0.971 49.1-122.6 173.9-179.3 21.7 41.3 18.2 75 74 A Y E -CD 63 82A 1 7,-2.4 7,-2.4 -2,-0.3 2,-0.4 -0.929 9.7-135.2-144.0 169.1 23.8 42.3 21.1 76 75 A R E -CD 62 81A 42 -14,-2.5 -14,-2.5 -2,-0.3 2,-0.4 -0.991 12.5-175.3-130.2 136.8 23.7 42.6 24.9 77 76 A A E > -CD 61 80A 7 3,-2.1 3,-1.9 -2,-0.4 2,-0.2 -0.976 67.0 -48.9-130.0 114.5 25.0 45.5 27.0 78 77 A G T 3 S- 0 0 36 -18,-0.6 -16,-0.0 -2,-0.4 63,-0.0 -0.394 124.1 -14.4 60.4-122.6 24.8 44.8 30.8 79 78 A D T 3 S+ 0 0 63 -2,-0.2 23,-2.5 21,-0.1 22,-0.5 0.213 119.2 85.0 -99.9 16.3 21.3 43.6 31.6 80 79 A T E < -De 77 102A 9 -3,-1.9 -3,-2.1 21,-0.2 2,-0.3 -0.955 58.1-155.7-123.5 137.7 19.6 44.5 28.3 81 80 A S E -De 76 103A 0 21,-2.1 23,-2.3 -2,-0.4 2,-0.4 -0.766 4.5-165.3-104.7 153.8 19.4 42.6 25.0 82 81 A Y E -De 75 104A 23 -7,-2.4 -7,-2.4 -2,-0.3 2,-0.3 -0.979 9.8-177.5-138.9 118.5 18.8 44.3 21.6 83 82 A F E -De 74 105A 17 21,-1.9 23,-2.3 -2,-0.4 -9,-0.3 -0.899 31.0-104.8-119.3 151.4 17.8 42.2 18.6 84 83 A F - 0 0 2 -11,-2.8 2,-2.1 -2,-0.3 25,-0.2 -0.404 35.9-110.6 -69.1 150.4 17.2 43.2 15.0 85 84 A N S S+ 0 0 96 23,-2.4 2,-0.3 21,-0.1 -1,-0.1 -0.532 82.2 101.4 -80.7 76.9 13.6 43.4 13.8 86 85 A E S > S- 0 0 29 -2,-2.1 4,-1.8 -13,-0.1 3,-0.4 -0.988 82.5-105.2-156.4 155.0 13.8 40.3 11.6 87 86 A A H > S+ 0 0 84 -2,-0.3 4,-1.8 1,-0.2 5,-0.2 0.879 115.6 51.4 -51.3 -48.8 12.8 36.7 11.6 88 87 A S H > S+ 0 0 27 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.876 110.8 50.0 -60.1 -36.6 16.2 35.2 12.2 89 88 A A H > S+ 0 0 0 -3,-0.4 4,-2.0 2,-0.2 -1,-0.2 0.817 105.0 56.3 -69.6 -35.8 16.9 37.5 15.2 90 89 A T H < S+ 0 0 72 -4,-1.8 4,-0.4 2,-0.2 -1,-0.2 0.918 110.5 45.9 -63.0 -40.3 13.5 36.7 16.8 91 90 A E H >X S+ 0 0 76 -4,-1.8 3,-1.9 -5,-0.2 4,-0.6 0.928 107.5 57.5 -66.6 -41.7 14.6 33.1 16.7 92 91 A A H >X S+ 0 0 0 -4,-2.0 3,-2.0 1,-0.3 4,-1.8 0.899 98.7 60.5 -55.1 -41.1 18.0 34.0 18.0 93 92 A A H 3< S+ 0 0 36 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.641 96.6 61.1 -62.0 -15.9 16.4 35.6 21.1 94 93 A K H <4 S+ 0 0 113 -3,-1.9 -1,-0.3 -4,-0.4 -2,-0.2 0.672 116.0 31.4 -84.5 -15.3 14.9 32.2 22.0 95 94 A Y H << S+ 0 0 107 -3,-2.0 2,-0.3 -4,-0.6 -2,-0.2 0.644 116.6 43.3-117.3 -16.7 18.4 30.7 22.3 96 95 A V S < S+ 0 0 14 -4,-1.8 -1,-0.1 1,-0.1 -32,-0.1 -0.930 110.4 12.3-132.2 157.1 20.9 33.4 23.5 97 96 A F S > S+ 0 0 13 -2,-0.3 3,-2.0 1,-0.1 -1,-0.1 0.741 72.8 152.9 51.8 27.3 20.8 36.2 26.2 98 97 A K T 3 + 0 0 148 1,-0.3 -1,-0.1 -3,-0.1 -2,-0.1 0.715 64.8 54.2 -58.8 -22.8 17.7 34.5 27.6 99 98 A D T 3 S+ 0 0 112 3,-0.0 -1,-0.3 2,-0.0 2,-0.1 0.197 73.0 134.1 -98.3 14.6 18.3 35.8 31.0 100 99 A A < - 0 0 10 -3,-2.0 -20,-0.2 1,-0.1 -21,-0.1 -0.427 55.5-139.3 -62.8 136.6 18.6 39.5 30.1 101 100 A M S S+ 0 0 137 -22,-0.5 2,-0.3 1,-0.1 -21,-0.2 0.821 87.2 24.7 -68.3 -33.0 16.6 41.6 32.6 102 101 A R E S-e 80 0A 155 -23,-2.5 -21,-2.1 2,-0.0 2,-0.4 -0.960 71.3-161.9-130.9 151.6 15.3 43.9 29.9 103 102 A K E -e 81 0A 137 -2,-0.3 2,-0.4 -23,-0.2 -21,-0.2 -0.994 4.7-172.3-135.9 138.7 14.9 43.2 26.1 104 103 A V E -e 82 0A 43 -23,-2.3 -21,-1.9 -2,-0.4 2,-0.7 -0.989 18.7-140.7-134.5 143.6 14.4 45.6 23.2 105 104 A T E -e 83 0A 98 -2,-0.4 -21,-0.2 -23,-0.2 -20,-0.1 -0.891 30.2-125.4-101.6 110.4 13.6 45.0 19.6 106 105 A L - 0 0 0 -23,-2.3 -21,-0.1 -2,-0.7 -24,-0.0 -0.122 21.2-115.5 -53.7 147.0 15.7 47.4 17.4 107 106 A P S S+ 0 0 88 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.563 90.9 34.0 -62.2 -7.1 13.6 49.5 15.0 108 107 A Y S S- 0 0 24 -22,-0.0 -23,-2.4 1,-0.0 -22,-0.1 -0.897 82.2-100.0-143.9 170.6 15.1 47.9 11.9 109 108 A S - 0 0 29 -2,-0.3 -23,-0.1 -25,-0.2 6,-0.0 -0.365 44.0-103.8 -84.5 173.2 16.5 44.7 10.4 110 109 A G S S+ 0 0 20 -38,-0.1 2,-0.3 -2,-0.1 -38,-0.2 0.228 79.8 120.5 -83.5 16.9 20.2 44.1 10.1 111 110 A N > - 0 0 65 1,-0.1 4,-2.7 4,-0.0 3,-0.5 -0.600 69.3-127.3 -84.9 144.8 20.4 44.8 6.4 112 111 A Y H > S+ 0 0 26 -2,-0.3 4,-3.0 1,-0.2 5,-0.3 0.840 108.0 58.6 -57.5 -35.6 22.7 47.6 5.2 113 112 A E H > S+ 0 0 102 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.931 112.8 39.1 -59.9 -44.4 19.8 49.2 3.2 114 113 A R H > S+ 0 0 129 -3,-0.5 4,-2.5 2,-0.2 -2,-0.2 0.903 117.9 48.0 -72.7 -41.3 17.7 49.6 6.4 115 114 A L H X S+ 0 0 0 -4,-2.7 4,-2.7 2,-0.2 6,-0.2 0.885 110.8 50.8 -67.7 -39.9 20.7 50.5 8.6 116 115 A Q H X>S+ 0 0 23 -4,-3.0 4,-1.5 -5,-0.2 5,-1.2 0.922 112.7 46.7 -64.8 -40.6 22.0 53.1 6.2 117 116 A T H <5S+ 0 0 106 -4,-1.6 3,-0.3 -5,-0.3 -2,-0.2 0.939 114.0 47.8 -65.3 -44.8 18.5 54.7 5.9 118 117 A A H <5S+ 0 0 53 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.904 116.6 44.0 -63.9 -39.1 18.2 54.6 9.7 119 118 A A H <5S- 0 0 22 -4,-2.7 -1,-0.2 2,-0.2 -2,-0.2 0.648 100.6-131.9 -79.2 -19.6 21.7 56.1 10.1 120 119 A G T <5S+ 0 0 67 -4,-1.5 2,-0.3 -3,-0.3 -3,-0.2 0.739 78.8 83.7 74.3 18.0 21.3 58.8 7.4 121 120 A K S - 0 0 70 -2,-0.3 3,-2.4 -3,-0.1 4,-0.1 -0.753 33.2-109.3-104.5 153.8 26.2 55.0 3.7 123 122 A R G > S+ 0 0 10 -2,-0.3 3,-2.6 1,-0.3 -1,-0.1 0.857 112.6 70.8 -46.5 -42.3 29.0 52.7 4.7 124 123 A E G 3 S+ 0 0 55 1,-0.3 -1,-0.3 57,-0.1 62,-0.0 0.773 103.3 43.0 -47.0 -30.4 31.4 54.5 2.4 125 124 A N G < S+ 0 0 102 -3,-2.4 -1,-0.3 56,-0.1 -2,-0.2 0.146 92.4 92.3-108.9 23.1 31.4 57.4 4.7 126 125 A I S < S- 0 0 8 -3,-2.6 54,-0.0 -4,-0.1 6,-0.0 -0.953 75.8-124.6-121.3 110.7 31.6 55.7 8.1 127 126 A P - 0 0 56 0, 0.0 2,-0.2 0, 0.0 54,-0.2 -0.171 27.0-170.4 -53.7 141.3 35.2 55.3 9.5 128 127 A L B +G 180 0C 0 52,-2.7 52,-1.5 29,-0.0 2,-0.2 -0.658 32.6 100.4-121.7-179.7 36.3 51.8 10.4 129 128 A G S > S- 0 0 0 -2,-0.2 4,-1.8 50,-0.2 3,-0.2 -0.511 86.5 -68.5 118.9 166.8 39.5 50.7 12.3 130 129 A L H > S+ 0 0 0 45,-3.0 4,-2.1 42,-0.6 46,-0.2 0.876 132.4 51.3 -63.8 -38.7 40.0 49.7 15.9 131 130 A P H > S+ 0 0 27 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.831 109.7 53.8 -65.3 -30.8 39.4 53.3 17.3 132 131 A A H > S+ 0 0 13 46,-0.2 4,-1.7 -3,-0.2 -2,-0.2 0.867 107.8 48.9 -70.0 -38.4 36.1 53.2 15.3 133 132 A L H X S+ 0 0 0 -4,-1.8 4,-2.4 2,-0.2 5,-0.2 0.870 107.1 55.5 -69.4 -39.1 35.1 49.9 16.9 134 133 A D H X S+ 0 0 29 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.930 111.1 45.0 -57.7 -44.8 35.9 51.2 20.4 135 134 A S H X S+ 0 0 64 -4,-1.7 4,-2.8 2,-0.2 -1,-0.2 0.858 110.2 53.6 -69.9 -33.6 33.6 54.2 19.8 136 135 A A H X S+ 0 0 4 -4,-1.7 4,-2.6 2,-0.2 -1,-0.2 0.923 109.1 49.7 -67.5 -40.4 30.8 52.0 18.3 137 136 A I H X S+ 0 0 0 -4,-2.4 4,-2.8 2,-0.2 5,-0.2 0.933 111.5 47.7 -63.3 -46.3 31.0 49.8 21.4 138 137 A T H X S+ 0 0 46 -4,-2.2 4,-1.7 1,-0.2 -2,-0.2 0.949 113.1 49.6 -59.9 -45.7 30.7 52.8 23.7 139 138 A T H < S+ 0 0 46 -4,-2.8 5,-0.3 1,-0.2 -2,-0.2 0.885 116.0 41.6 -60.3 -39.0 27.8 54.0 21.6 140 139 A L H >< S+ 0 0 0 -4,-2.6 3,-0.8 1,-0.2 -1,-0.2 0.798 108.0 59.3 -80.5 -29.2 26.0 50.7 21.7 141 140 A F H 3< S+ 0 0 39 -4,-2.8 2,-0.4 1,-0.3 -2,-0.2 0.817 112.4 41.1 -68.4 -31.9 26.8 50.0 25.4 142 141 A Y T 3< S- 0 0 129 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.1 -0.535 103.7-149.0-111.7 61.4 24.9 53.3 26.3 143 142 A Y < + 0 0 58 -3,-0.8 2,-0.4 -2,-0.4 -3,-0.1 0.066 25.6 173.1 -38.2 127.0 22.1 52.6 23.7 144 143 A N >> - 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0 0 3 -9,-3.5 11,-2.1 -2,-0.4 2,-0.3 0.775 57.1 -62.4 -95.1 -31.1 38.4 49.3 52.4 316 73 B G E -LM 306 325F 2 -10,-1.0 -10,-2.4 9,-0.2 -1,-0.4 -0.972 48.8-115.3 170.6-168.4 37.2 50.3 55.8 317 74 B Y E -LM 305 324F 0 7,-2.2 7,-2.6 -2,-0.3 2,-0.4 -0.955 11.4-130.5-152.2 170.7 34.1 51.0 57.9 318 75 B R E -LM 304 323F 45 -14,-2.7 -14,-2.0 -2,-0.3 2,-0.4 -0.986 12.9-176.3-132.6 138.4 32.1 53.7 59.7 319 76 B A E > - M 0 322F 8 3,-2.8 3,-1.8 -2,-0.4 -16,-0.1 -0.939 65.0 -55.7-133.7 106.5 30.7 53.7 63.2 320 77 B G T 3 S- 0 0 55 -18,-0.4 63,-0.0 -2,-0.4 -1,-0.0 -0.401 123.8 -9.1 61.5-126.4 28.7 56.8 64.1 321 78 B D T 3 S+ 0 0 75 21,-0.1 23,-2.0 -2,-0.1 22,-0.7 0.315 121.8 82.2 -87.7 9.2 30.8 59.9 63.5 322 79 B T E < -Mn 319 344F 18 -3,-1.8 -3,-2.8 21,-0.2 2,-0.3 -0.949 55.8-162.5-123.4 135.4 34.1 58.0 62.9 323 80 B S E -Mn 318 345F 2 21,-2.8 23,-3.1 -2,-0.4 2,-0.4 -0.815 4.8-160.8-109.5 149.0 35.5 56.3 59.8 324 81 B Y E -Mn 317 346F 21 -7,-2.6 -7,-2.2 -2,-0.3 2,-0.3 -0.992 9.2-177.1-132.0 124.5 38.3 53.8 59.8 325 82 B F E -Mn 316 347F 7 21,-2.3 23,-3.2 -2,-0.4 -9,-0.2 -0.922 31.0-106.2-121.5 147.0 40.4 52.9 56.7 326 83 B F - 0 0 3 -11,-2.1 2,-1.8 -2,-0.3 25,-0.3 -0.297 38.0-105.6 -63.9 156.4 43.2 50.4 56.3 327 84 B N S S+ 0 0 93 23,-2.9 2,-0.3 20,-0.1 -1,-0.1 -0.575 84.4 98.2 -86.1 78.4 46.7 51.7 56.0 328 85 B E S >> S- 0 0 63 -2,-1.8 4,-2.0 1,-0.1 3,-0.8 -0.970 82.9-107.0-161.6 150.2 47.2 51.1 52.2 329 86 B A H 3> S+ 0 0 88 -2,-0.3 4,-2.4 1,-0.3 5,-0.2 0.871 114.5 56.3 -42.0 -52.2 46.9 53.0 49.0 330 87 B S H 3> S+ 0 0 46 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.860 108.9 45.4 -55.8 -41.2 43.7 51.4 47.9 331 88 B A H <> S+ 0 0 0 -3,-0.8 4,-2.0 2,-0.2 -1,-0.2 0.853 109.3 55.7 -73.7 -33.4 41.8 52.4 51.1 332 89 B T H < S+ 0 0 85 -4,-2.0 4,-0.2 2,-0.2 -2,-0.2 0.937 110.3 46.0 -62.7 -43.0 43.2 56.0 50.9 333 90 B E H >< S+ 0 0 70 -4,-2.4 3,-1.9 1,-0.2 4,-0.3 0.941 110.2 54.3 -61.3 -49.6 41.8 56.3 47.4 334 91 B A H >X S+ 0 0 0 -4,-2.2 3,-1.9 1,-0.3 4,-0.7 0.823 96.5 65.9 -55.4 -33.8 38.5 54.8 48.6 335 92 B A T 3< S+ 0 0 13 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.539 89.4 67.4 -68.4 -7.3 38.2 57.5 51.4 336 93 B K T <4 S+ 0 0 114 -3,-1.9 -1,-0.3 -4,-0.2 -2,-0.2 0.692 111.4 32.6 -82.3 -18.8 37.8 60.1 48.7 337 94 B Y T <4 S+ 0 0 101 -3,-1.9 2,-0.3 -4,-0.3 -2,-0.2 0.443 113.4 49.4-119.5 -3.1 34.5 58.6 47.8 338 95 B V S < S+ 0 0 16 -4,-0.7 -1,-0.0 1,-0.1 -32,-0.0 -0.952 96.5 20.9-138.7 161.2 32.8 57.1 50.9 339 96 B F > + 0 0 13 -2,-0.3 3,-1.2 1,-0.1 -1,-0.1 0.821 62.6 152.9 54.2 39.9 31.9 58.0 54.5 340 97 B K T 3 + 0 0 152 1,-0.2 -1,-0.1 -3,-0.1 -2,-0.0 0.620 64.9 66.2 -71.9 -13.6 32.1 61.7 53.8 341 98 B D T 3 S+ 0 0 100 -19,-0.0 2,-0.4 2,-0.0 -1,-0.2 0.629 78.6 99.7 -79.6 -17.9 29.6 62.3 56.7 342 99 B A < - 0 0 13 -3,-1.2 -20,-0.2 1,-0.1 -21,-0.1 -0.590 55.2-165.6 -75.4 125.2 32.1 61.1 59.3 343 100 B M S S+ 0 0 153 -22,-0.7 2,-0.5 -2,-0.4 -21,-0.2 0.592 76.8 57.5 -84.7 -12.0 33.8 64.0 61.1 344 101 B R E -n 322 0F 151 -23,-2.0 -21,-2.8 2,-0.0 2,-0.6 -0.954 68.5-170.3-124.9 111.8 36.6 61.8 62.5 345 102 B K E -n 323 0F 132 -2,-0.5 2,-0.4 -23,-0.2 -21,-0.2 -0.902 3.7-171.2-107.8 126.7 38.7 59.9 60.1 346 103 B V E -n 324 0F 50 -23,-3.1 -21,-2.3 -2,-0.6 2,-0.7 -0.941 16.1-147.1-118.1 134.1 41.0 57.3 61.5 347 104 B T E -n 325 0F 79 -2,-0.4 -21,-0.2 -23,-0.2 -20,-0.1 -0.897 27.4-127.8 -98.2 119.8 43.6 55.4 59.6 348 105 B L - 0 0 2 -23,-3.2 39,-0.0 -2,-0.7 -24,-0.0 -0.257 19.4-116.9 -60.5 154.7 44.0 51.9 61.0 349 106 B P S S+ 0 0 81 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 0.861 91.2 38.8 -63.4 -35.7 47.5 50.9 61.9 350 107 B Y S S- 0 0 25 1,-0.1 -23,-2.9 7,-0.0 -2,-0.1 -0.575 82.9-106.9-113.7 173.9 47.8 48.0 59.5 351 108 B S - 0 0 14 -25,-0.3 -1,-0.1 -2,-0.2 -23,-0.1 -0.178 38.2-104.7 -87.0-173.8 46.7 47.2 55.9 352 109 B G S S+ 0 0 21 -26,-0.1 -38,-0.1 4,-0.1 -1,-0.1 0.478 76.7 122.5 -94.7 -4.5 43.9 44.7 55.1 353 110 B N > - 0 0 71 1,-0.1 4,-2.7 4,-0.1 5,-0.2 -0.266 67.8-127.1 -55.3 138.9 46.1 41.8 54.0 354 111 B Y H > S+ 0 0 26 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.840 108.4 53.3 -63.1 -34.9 45.4 38.6 56.0 355 112 B E H > S+ 0 0 102 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.942 112.9 44.6 -67.3 -39.9 49.1 38.2 56.9 356 113 B R H > S+ 0 0 150 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.902 114.5 49.9 -66.6 -40.7 49.2 41.7 58.3 357 114 B L H X S+ 0 0 0 -4,-2.7 4,-2.4 2,-0.2 6,-0.2 0.905 109.8 48.6 -67.2 -43.0 45.9 41.3 60.1 358 115 B Q H X>S+ 0 0 32 -4,-2.6 4,-2.4 2,-0.2 5,-1.1 0.905 111.7 51.1 -63.1 -39.4 46.9 38.1 61.8 359 116 B T H <5S+ 0 0 117 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.952 112.2 45.7 -62.5 -47.6 50.1 39.6 62.9 360 117 B A H <5S+ 0 0 38 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.847 117.0 44.9 -63.6 -34.8 48.3 42.7 64.4 361 118 B A H <5S- 0 0 21 -4,-2.4 -1,-0.2 2,-0.2 -2,-0.2 0.808 99.6-137.9 -77.0 -28.9 45.7 40.4 66.0 362 119 B G T <5S+ 0 0 66 -4,-2.4 2,-0.3 1,-0.3 -3,-0.2 0.660 75.3 91.8 76.4 17.3 48.5 38.0 67.2 363 120 B K S - 0 0 69 -2,-0.3 3,-2.4 -3,-0.1 4,-0.2 -0.724 30.9-110.3-101.0 153.4 45.6 33.2 63.0 365 122 B R G > S+ 0 0 5 1,-0.3 3,-2.1 -2,-0.3 -1,-0.1 0.810 112.5 68.4 -49.7 -39.8 42.1 32.7 61.3 366 123 B E G 3 S+ 0 0 56 1,-0.3 -1,-0.3 57,-0.1 60,-0.0 0.756 105.6 44.1 -52.4 -24.9 41.9 29.0 62.3 367 124 B N G < S+ 0 0 105 -3,-2.4 -1,-0.3 56,-0.1 -2,-0.2 0.275 92.2 90.2-106.7 10.4 41.6 30.1 65.9 368 125 B I S < S- 0 0 8 -3,-2.1 54,-0.1 -4,-0.2 6,-0.0 -0.939 79.3-121.5-109.8 118.0 39.1 33.0 65.5 369 126 B P - 0 0 56 0, 0.0 2,-0.2 0, 0.0 54,-0.2 -0.224 30.0-173.1 -58.8 142.6 35.4 31.9 65.9 370 127 B L B +P 422 0H 0 52,-3.0 52,-2.0 29,-0.0 2,-0.2 -0.733 32.0 96.9-126.1 177.0 32.9 32.5 63.0 371 128 B G S > S- 0 0 0 -2,-0.2 4,-1.6 50,-0.2 3,-0.3 -0.423 88.0 -66.8 118.8 163.0 29.2 32.1 62.7 372 129 B L H > S+ 0 0 2 45,-3.0 4,-2.3 42,-0.7 5,-0.2 0.891 133.1 50.9 -55.5 -42.0 26.3 34.6 63.2 373 130 B P H > S+ 0 0 23 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.918 108.7 53.8 -62.7 -34.6 26.9 35.2 66.9 374 131 B A H > S+ 0 0 10 -3,-0.3 4,-2.0 46,-0.3 -2,-0.2 0.861 107.0 51.4 -64.7 -35.4 30.6 35.8 66.1 375 132 B L H X S+ 0 0 0 -4,-1.6 4,-2.5 2,-0.2 -1,-0.2 0.881 107.8 51.7 -69.8 -41.9 29.6 38.5 63.5 376 133 B D H X S+ 0 0 21 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.972 111.2 48.5 -55.3 -50.1 27.4 40.2 66.1 377 134 B S H X S+ 0 0 63 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.876 110.4 50.9 -58.2 -38.9 30.4 40.2 68.5 378 135 B A H X S+ 0 0 4 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.883 108.5 51.5 -67.2 -40.9 32.7 41.6 65.8 379 136 B I H X S+ 0 0 0 -4,-2.5 4,-2.8 2,-0.2 5,-0.2 0.929 110.1 49.9 -62.8 -43.1 30.2 44.4 65.0 380 137 B T H X S+ 0 0 46 -4,-2.5 4,-1.7 1,-0.2 -2,-0.2 0.939 110.8 49.4 -58.4 -48.5 30.1 45.3 68.7 381 138 B T H < S+ 0 0 43 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.883 115.5 42.6 -59.3 -43.8 33.9 45.4 68.9 382 139 B L H >< S+ 0 0 0 -4,-2.3 3,-1.1 1,-0.2 -1,-0.2 0.853 109.3 56.3 -74.4 -34.9 34.3 47.6 65.8 383 140 B F H 3< S+ 0 0 60 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.816 115.6 39.9 -65.4 -30.6 31.4 49.9 66.8 384 141 B Y T 3< S- 0 0 137 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.1 -0.495 102.5-151.8-111.7 55.5 33.3 50.5 70.1 385 142 B Y < + 0 0 59 -3,-1.1 2,-0.4 -2,-0.2 -3,-0.1 0.095 22.0 177.2 -34.0 131.8 36.7 50.6 68.4 386 143 B N >> - 0 0 91 -5,-0.2 3,-2.5 1,-0.1 4,-1.5 -0.956 31.2-133.6-140.8 118.2 39.7 49.5 70.6 387 144 B A T 34 S+ 0 0 65 -2,-0.4 4,-0.4 1,-0.3 -1,-0.1 0.747 103.7 45.0 -42.8 -37.0 43.1 49.4 68.9 388 145 B N T 34 S+ 0 0 142 1,-0.2 -1,-0.3 2,-0.1 4,-0.1 0.363 116.6 42.0 -95.6 5.9 44.0 46.0 70.3 389 146 B S T <> S+ 0 0 41 -3,-2.5 4,-1.2 -8,-0.1 -2,-0.2 0.451 94.5 80.9-122.9 -9.2 40.7 44.2 69.6 390 147 B A H X S+ 0 0 0 -4,-1.5 4,-2.8 2,-0.2 5,-0.2 0.871 81.6 58.9 -68.9 -38.8 39.9 45.5 66.1 391 148 B A H > S+ 0 0 5 -4,-0.4 4,-2.2 1,-0.2 5,-0.2 0.946 107.1 46.7 -59.9 -50.4 42.1 43.3 63.9 392 149 B S H > S+ 0 0 27 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.918 113.7 50.0 -56.0 -43.3 40.5 40.0 65.0 393 150 B A H X S+ 0 0 7 -4,-1.2 4,-2.7 1,-0.2 -1,-0.2 0.888 107.7 54.1 -63.3 -39.5 37.1 41.6 64.6 394 151 B L H X S+ 0 0 3 -4,-2.8 4,-3.2 1,-0.2 -1,-0.2 0.887 104.6 53.4 -63.9 -39.1 38.0 42.7 61.1 395 152 B M H X S+ 0 0 0 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.870 109.8 48.8 -65.1 -34.4 39.0 39.2 60.1 396 153 B V H X S+ 0 0 8 -4,-1.6 4,-2.2 -5,-0.2 -2,-0.2 0.946 112.3 49.1 -66.1 -46.7 35.6 38.0 61.2 397 154 B L H X S+ 0 0 0 -4,-2.7 4,-0.9 1,-0.2 5,-0.3 0.946 111.3 49.1 -56.3 -50.5 33.9 40.9 59.3 398 155 B I H ><>S+ 0 0 14 -4,-3.2 5,-2.0 1,-0.2 3,-0.7 0.922 113.9 44.2 -56.6 -48.8 35.9 40.1 56.1 399 156 B Q H 3<>S+ 0 0 0 -4,-1.9 5,-0.8 1,-0.2 -1,-0.2 0.835 112.3 53.4 -68.3 -30.6 35.2 36.3 56.1 400 157 B S H 3<5S+ 0 0 0 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.608 128.4 15.7 -78.3 -13.2 31.5 37.0 57.0 401 158 B T T 5S+ 0 0 2 -4,-0.5 4,-1.8 -5,-0.3 -3,-0.2 0.938 126.1 42.0 -55.0 -51.9 33.8 39.3 51.3 403 160 B E H > S+ 0 0 110 71,-3.2 4,-3.1 -2,-0.4 5,-0.2 0.888 100.1 57.3 -59.0 -34.8 28.9 29.4 48.4 409 166 B F H > S+ 0 0 73 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.916 108.3 44.1 -65.9 -38.7 30.6 27.0 50.8 410 167 B I H > S+ 0 0 0 -7,-0.3 4,-2.6 2,-0.2 5,-0.4 0.927 113.7 51.6 -71.4 -40.3 31.8 29.8 53.1 411 168 B E H X S+ 0 0 34 -4,-2.5 4,-2.8 -7,-0.5 -2,-0.2 0.960 113.9 44.9 -57.0 -50.9 28.3 31.4 52.9 412 169 B Q H X S+ 0 0 112 -4,-3.1 4,-1.2 1,-0.2 -2,-0.2 0.931 114.0 46.7 -60.7 -49.8 26.7 28.1 53.7 413 170 B Q H X S+ 0 0 25 -4,-2.7 4,-0.7 -5,-0.2 -1,-0.2 0.887 116.9 43.7 -64.1 -38.8 29.0 27.1 56.6 414 171 B I H >< S+ 0 0 2 -4,-2.6 3,-1.0 -5,-0.2 -42,-0.7 0.946 112.6 52.2 -72.7 -43.8 28.8 30.5 58.3 415 172 B G H 3< S+ 0 0 4 -4,-2.8 -1,-0.2 -5,-0.4 -2,-0.2 0.663 101.6 59.7 -68.0 -16.4 25.1 30.9 57.8 416 173 B K H 3< S+ 0 0 119 -4,-1.2 2,-1.7 1,-0.2 3,-0.3 0.743 87.7 77.4 -84.1 -19.9 24.3 27.5 59.4 417 174 B R << + 0 0 47 -3,-1.0 -45,-3.0 -4,-0.7 -1,-0.2 -0.679 57.6 146.7 -87.1 90.9 25.9 28.6 62.7 418 175 B V S S+ 0 0 39 -2,-1.7 -1,-0.2 -47,-0.2 -166,-0.1 0.864 75.6 18.3 -92.7 -45.3 23.0 30.7 63.7 419 176 B D S S+ 0 0 138 -3,-0.3 2,-0.3 -47,-0.1 -2,-0.1 0.246 128.3 42.2-110.8 12.9 23.0 30.3 67.5 420 177 B K S S- 0 0 116 -4,-0.1 -46,-0.3 2,-0.0 2,-0.2 -0.895 70.8-125.1-147.7 175.6 26.5 29.1 67.8 421 178 B T - 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0 0 66 -2,-0.3 3,-1.9 -3,-0.1 4,-0.3 -0.780 29.7-112.6-106.8 155.1 79.7 69.2 62.9 849 122 D R G > S+ 0 0 5 -2,-0.3 3,-1.8 1,-0.3 -1,-0.1 0.791 110.3 69.0 -55.1 -35.3 76.3 69.2 61.2 850 123 D E G 3 S+ 0 0 64 1,-0.3 -1,-0.3 57,-0.1 60,-0.0 0.774 105.5 44.2 -56.3 -24.2 75.6 65.5 61.8 851 124 D N G < S+ 0 0 100 -3,-1.9 -1,-0.3 56,-0.1 -2,-0.2 0.425 92.0 92.8-104.4 8.0 75.3 66.5 65.5 852 125 D I S < S- 0 0 8 -3,-1.8 54,-0.1 -4,-0.3 -1,-0.0 -0.848 77.3-124.9-104.6 112.5 73.2 69.6 65.2 853 126 D P - 0 0 54 0, 0.0 2,-0.2 0, 0.0 54,-0.2 -0.206 28.3-171.9 -56.4 143.8 69.5 69.0 65.5 854 127 D L B +H 906 0R 0 52,-2.7 52,-1.8 29,-0.0 2,-0.2 -0.670 32.2 97.0-123.0 178.4 67.2 70.1 62.6 855 128 D G S > S- 0 0 0 -2,-0.2 4,-1.7 50,-0.2 3,-0.3 -0.488 87.5 -65.1 117.6 169.2 63.3 70.3 62.3 856 129 D L H > S+ 0 0 2 45,-3.0 4,-3.2 42,-0.6 5,-0.2 0.903 131.8 51.9 -61.2 -44.8 60.9 73.2 62.9 857 130 D P H > S+ 0 0 32 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.861 111.0 52.2 -58.9 -30.5 61.5 73.6 66.8 858 131 D A H > S+ 0 0 13 -3,-0.3 4,-2.6 46,-0.3 -2,-0.2 0.890 108.1 48.0 -74.4 -37.0 65.2 73.8 65.9 859 132 D L H X S+ 0 0 0 -4,-1.7 4,-2.8 2,-0.2 5,-0.3 0.952 110.7 53.3 -66.7 -44.7 64.6 76.5 63.3 860 133 D D H X S+ 0 0 21 -4,-3.2 4,-2.3 1,-0.2 -2,-0.2 0.957 111.0 46.8 -51.2 -51.5 62.5 78.3 65.9 861 134 D S H X S+ 0 0 61 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.895 110.2 50.5 -60.5 -43.3 65.5 78.0 68.3 862 135 D A H X S+ 0 0 4 -4,-2.6 4,-2.4 1,-0.2 5,-0.3 0.902 108.9 53.6 -64.0 -37.9 68.1 79.2 65.8 863 136 D I H X S+ 0 0 0 -4,-2.8 4,-2.8 2,-0.2 5,-0.2 0.957 109.9 47.4 -60.8 -46.0 65.9 82.2 65.0 864 137 D T H X S+ 0 0 43 -4,-2.3 4,-1.9 -5,-0.3 -2,-0.2 0.949 112.1 49.9 -58.8 -48.3 65.8 83.1 68.7 865 138 D T H < S+ 0 0 41 -4,-2.6 5,-0.3 1,-0.2 -1,-0.2 0.843 115.0 43.0 -58.2 -38.4 69.5 82.7 69.1 866 139 D L H >< S+ 0 0 0 -4,-2.4 3,-1.2 1,-0.2 -1,-0.2 0.859 108.4 57.4 -79.1 -35.4 70.3 84.9 66.0 867 140 D F H 3< S+ 0 0 57 -4,-2.8 2,-0.4 1,-0.3 -2,-0.2 0.885 116.0 39.0 -59.3 -37.4 67.7 87.5 67.0 868 141 D Y T 3< S- 0 0 143 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.1 -0.477 102.2-153.4-109.3 56.5 69.6 87.8 70.3 869 142 D Y < + 0 0 52 -3,-1.2 2,-0.4 -2,-0.4 -3,-0.2 0.068 20.0 179.0 -35.6 128.9 73.0 87.4 68.7 870 143 D N >> - 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0 0 64 -2,-0.3 2,-0.3 -50,-0.1 -50,-0.2 -0.755 15.6-164.6-125.2 172.0 63.9 67.4 66.2 906 179 D F B -H 854 0R 22 -52,-1.8 -52,-2.7 -2,-0.2 -5,-0.0 -0.981 27.0-114.3-153.6 152.3 66.3 64.9 64.4 907 180 D L - 0 0 98 -2,-0.3 -57,-0.1 -54,-0.2 -56,-0.1 -0.791 48.2-105.7 -87.6 133.7 70.0 64.7 63.7 908 181 D P - 0 0 7 0, 0.0 -56,-0.1 0, 0.0 -1,-0.1 -0.346 32.4-122.5 -64.9 141.0 70.5 65.0 59.9 909 182 D S >> - 0 0 43 1,-0.1 4,-1.4 -2,-0.0 3,-0.6 -0.297 27.7-104.2 -72.7 162.6 71.5 61.7 58.1 910 183 D L H 3> S+ 0 0 70 1,-0.2 4,-2.7 2,-0.2 33,-0.2 0.847 119.9 64.0 -58.9 -32.3 74.7 61.4 56.1 911 184 D A H 3> S+ 0 0 4 33,-0.3 4,-2.4 1,-0.2 -1,-0.2 0.937 102.5 48.9 -58.2 -45.0 72.6 61.7 52.9 912 185 D I H <> S+ 0 0 0 -3,-0.6 4,-2.0 2,-0.2 -1,-0.2 0.914 112.2 45.8 -60.8 -47.3 71.6 65.2 53.9 913 186 D I H X S+ 0 0 11 -4,-1.4 4,-2.3 1,-0.2 -1,-0.2 0.902 113.1 52.3 -63.3 -39.5 75.1 66.4 54.7 914 187 D S H X S+ 0 0 10 -4,-2.7 4,-1.8 2,-0.2 -2,-0.2 0.883 107.6 50.3 -66.3 -38.4 76.3 64.8 51.4 915 188 D L H X S+ 0 0 9 -4,-2.4 4,-1.2 -5,-0.2 -1,-0.2 0.929 111.5 49.7 -65.3 -43.2 73.7 66.6 49.3 916 189 D E H < S+ 0 0 10 -4,-2.0 3,-0.4 1,-0.2 4,-0.4 0.892 111.7 47.8 -60.4 -42.1 74.7 69.9 50.9 917 190 D N H < S+ 0 0 87 -4,-2.3 4,-0.3 1,-0.2 -1,-0.2 0.842 118.8 41.4 -70.1 -29.9 78.4 69.3 50.2 918 191 D S H X S+ 0 0 16 -4,-1.8 4,-3.2 -5,-0.2 5,-0.3 0.471 80.8 98.1 -99.9 -4.2 77.6 68.3 46.6 919 192 D W H X S+ 0 0 12 -4,-1.2 4,-2.9 -3,-0.4 5,-0.2 0.913 86.7 49.7 -50.3 -50.2 75.0 70.8 45.4 920 193 D S H > S+ 0 0 70 -4,-0.4 4,-2.2 1,-0.2 -1,-0.2 0.921 114.2 44.0 -55.9 -48.3 77.6 73.0 43.7 921 194 D A H > S+ 0 0 43 -4,-0.3 4,-3.1 2,-0.2 5,-0.2 0.919 113.6 50.8 -65.5 -44.5 79.2 70.1 41.9 922 195 D L H X S+ 0 0 1 -4,-3.2 4,-2.8 2,-0.2 5,-0.3 0.924 108.8 51.3 -61.4 -41.5 75.8 68.6 40.9 923 196 D S H X S+ 0 0 10 -4,-2.9 4,-2.1 -5,-0.3 5,-0.2 0.971 113.3 45.7 -58.5 -50.9 74.6 71.9 39.5 924 197 D K H X S+ 0 0 134 -4,-2.2 4,-2.2 -5,-0.2 -2,-0.2 0.919 115.0 46.7 -56.6 -46.6 77.7 72.2 37.4 925 198 D Q H X S+ 0 0 6 -4,-3.1 4,-2.9 1,-0.2 -1,-0.2 0.860 108.8 53.2 -68.2 -37.5 77.6 68.6 36.2 926 199 D I H X S+ 0 0 1 -4,-2.8 4,-1.2 -5,-0.2 -1,-0.2 0.886 111.3 47.9 -64.7 -36.6 73.9 68.7 35.3 927 200 D Q H < S+ 0 0 76 -4,-2.1 4,-0.4 -5,-0.3 3,-0.4 0.918 112.9 47.4 -71.6 -39.2 74.5 71.8 33.2 928 201 D I H >< S+ 0 0 64 -4,-2.2 3,-1.8 1,-0.2 -2,-0.2 0.939 108.4 57.8 -62.3 -44.9 77.5 70.1 31.5 929 202 D A H ><>S+ 0 0 0 -4,-2.9 5,-2.4 1,-0.3 3,-1.7 0.767 89.0 71.4 -57.3 -31.4 75.4 67.0 31.0 930 203 D S T 3<5S+ 0 0 11 -4,-1.2 -444,-2.8 -3,-0.4 -1,-0.3 0.714 112.0 30.7 -63.6 -19.5 72.7 68.8 29.0 931 204 D T T < 5S+ 0 0 74 -3,-1.8 -1,-0.3 -4,-0.4 -2,-0.2 0.159 113.7 66.3-120.7 19.3 75.2 69.1 26.1 932 205 D N T X 5S- 0 0 58 -3,-1.7 3,-2.4 3,-0.1 -2,-0.1 -0.264 119.8 -90.6-131.4 42.9 77.1 65.9 26.9 933 206 D N T 3 5S- 0 0 147 1,-0.3 -3,-0.2 -3,-0.2 3,-0.1 0.816 84.1 -57.9 52.8 36.5 74.5 63.2 26.1 934 207 D G T 3 - 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