==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-MAR-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 26-NOV-09 3KTZ . COMPND 2 MOLECULE: RIBOSOME-INACTIVATING PROTEIN GELONIN; . SOURCE 2 ORGANISM_SCIENTIFIC: GELONIUM MULTIFLORUM; . AUTHOR X.-P.KONG . 502 2 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20750.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 338 67.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 28 5.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 66 13.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 5 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 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 . 37 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 50 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 140 27.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 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 2 4 2 0 3 0 1 0 0 2 4 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 0 2 0 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 PARALLEL BRIDGES PER LADDER . 4 2 0 4 2 0 2 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 . 4 0 0 0 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 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 G 0 0 105 0, 0.0 2,-0.2 0, 0.0 47,-0.0 0.000 360.0 360.0 360.0 57.4 6.8 -17.9 48.6 2 2 A L - 0 0 47 48,-0.1 2,-0.2 1,-0.1 50,-0.2 -0.639 360.0-114.5-101.0 155.2 8.9 -14.8 48.2 3 3 A D E -a 52 0A 58 48,-0.6 50,-2.4 -2,-0.2 2,-0.3 -0.513 35.1-153.6 -79.6 155.8 11.0 -13.5 45.3 4 4 A T E -a 53 0A 75 48,-0.2 2,-0.4 -2,-0.2 50,-0.2 -0.979 14.4-170.8-136.1 148.7 14.7 -13.4 45.9 5 5 A V E -a 54 0A 1 48,-2.6 50,-2.6 -2,-0.3 2,-0.3 -1.000 11.7-151.4-137.9 137.1 17.6 -11.4 44.6 6 6 A S E -a 55 0A 83 -2,-0.4 2,-0.3 48,-0.2 50,-0.2 -0.828 13.0-179.6-113.3 150.0 21.3 -11.9 45.1 7 7 A F E -a 56 0A 9 48,-2.5 50,-1.8 -2,-0.3 2,-0.4 -0.910 7.6-167.8-146.2 117.6 24.3 -9.6 45.2 8 8 A S E -a 57 0A 49 -2,-0.3 50,-0.2 48,-0.2 48,-0.1 -0.867 16.2-154.1-106.4 138.8 27.8 -10.8 45.8 9 9 A T > + 0 0 0 48,-2.5 3,-1.8 -2,-0.4 2,-0.5 0.667 67.6 104.9 -82.9 -16.9 30.6 -8.4 46.6 10 10 A K T 3 S- 0 0 142 47,-0.4 -2,-0.1 1,-0.3 3,-0.1 -0.515 105.5 -9.6 -69.2 116.3 33.2 -10.8 45.2 11 11 A G T 3 S+ 0 0 65 -2,-0.5 -1,-0.3 1,-0.2 5,-0.1 0.684 98.9 165.0 69.8 15.8 34.3 -9.5 41.8 12 12 A A < - 0 0 8 -3,-1.8 2,-0.3 4,-0.1 -1,-0.2 -0.324 13.7-174.6 -65.9 147.8 31.4 -7.0 42.1 13 13 A T > - 0 0 54 -3,-0.1 4,-2.3 1,-0.0 5,-0.2 -0.889 44.6 -97.6-137.2 168.1 31.5 -4.0 39.7 14 14 A Y H > S+ 0 0 52 -2,-0.3 4,-1.9 1,-0.2 5,-0.1 0.819 126.2 52.8 -56.9 -29.2 29.4 -0.9 39.3 15 15 A I H > S+ 0 0 17 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.901 105.8 48.9 -74.3 -44.3 27.6 -2.9 36.6 16 16 A T H > S+ 0 0 56 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.899 112.9 51.4 -63.6 -34.8 26.7 -5.9 38.7 17 17 A Y H X S+ 0 0 1 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.931 111.1 45.6 -65.7 -47.9 25.4 -3.5 41.4 18 18 A V H X S+ 0 0 0 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.910 112.6 50.3 -64.0 -41.8 23.2 -1.6 38.9 19 19 A N H X S+ 0 0 64 -4,-2.6 4,-1.6 1,-0.2 -1,-0.2 0.890 109.2 53.8 -63.5 -36.7 21.8 -4.8 37.4 20 20 A F H X S+ 0 0 7 -4,-1.9 4,-2.5 -5,-0.2 3,-0.3 0.945 107.6 49.5 -61.2 -49.9 21.1 -6.0 40.9 21 21 A L H X S+ 0 0 0 -4,-2.3 4,-2.7 1,-0.2 -1,-0.2 0.893 110.8 49.7 -58.3 -41.1 19.1 -2.8 41.8 22 22 A N H X S+ 0 0 1 -4,-2.2 4,-1.3 2,-0.2 -1,-0.2 0.812 109.5 51.4 -70.5 -26.8 17.1 -3.2 38.6 23 23 A E H X S+ 0 0 79 -4,-1.6 4,-2.4 -3,-0.3 -2,-0.2 0.912 112.1 47.2 -72.3 -42.0 16.3 -6.8 39.3 24 24 A L H X S+ 0 0 0 -4,-2.5 4,-1.5 1,-0.2 -2,-0.2 0.926 107.9 55.3 -63.1 -45.1 15.2 -5.8 42.8 25 25 A R H < S+ 0 0 0 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.855 111.1 46.1 -56.9 -35.9 13.0 -3.0 41.4 26 26 A V H >< S+ 0 0 62 -4,-1.3 3,-1.8 1,-0.2 -1,-0.2 0.929 110.2 51.4 -73.0 -46.6 11.3 -5.5 39.2 27 27 A K H 3< S+ 0 0 52 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.670 95.0 69.1 -68.0 -15.7 10.7 -8.1 41.9 28 28 A L T 3< S- 0 0 0 -4,-1.5 13,-0.3 -5,-0.2 -1,-0.3 0.652 98.4-147.5 -73.0 -13.0 9.2 -5.5 44.2 29 29 A K < - 0 0 106 -3,-1.8 12,-0.2 -5,-0.2 -3,-0.1 0.922 13.1-158.5 46.6 64.7 6.4 -5.7 41.6 30 30 A P - 0 0 28 0, 0.0 2,-0.5 0, 0.0 10,-0.3 -0.294 9.2-134.4 -65.5 158.5 5.1 -2.2 41.6 31 31 A E - 0 0 132 8,-2.3 11,-0.1 7,-0.0 2,-0.1 -0.951 59.0 -29.9-121.6 115.4 1.5 -1.8 40.2 32 32 A G S S- 0 0 58 -2,-0.5 7,-2.0 6,-0.1 2,-0.3 -0.323 73.2-112.1 78.7-164.0 0.8 1.0 37.7 33 33 A N E -F 38 0B 98 5,-0.3 2,-0.5 -2,-0.1 209,-0.0 -0.962 3.8-127.8-160.4 169.3 2.6 4.3 37.7 34 34 A S E > S-F 37 0B 12 3,-2.3 3,-2.0 -2,-0.3 172,-0.1 -0.976 94.1 -18.8-130.3 115.0 2.2 8.0 38.4 35 35 A H T 3 S- 0 0 47 -2,-0.5 -1,-0.1 1,-0.3 171,-0.0 0.779 131.0 -51.3 59.5 26.2 3.4 10.2 35.5 36 36 A G T 3 S+ 0 0 19 1,-0.3 -1,-0.3 396,-0.1 397,-0.2 0.240 111.7 120.4 97.2 -13.8 5.4 7.3 34.2 37 37 A I E < S-F 34 0B 0 -3,-2.0 -3,-2.3 1,-0.1 -1,-0.3 -0.744 74.2-105.4 -88.4 126.5 7.2 6.5 37.5 38 38 A P E -F 33 0B 6 0, 0.0 205,-2.4 0, 0.0 2,-0.5 -0.220 34.2-144.2 -51.2 133.2 6.5 2.9 38.8 39 39 A L B -g 243 0C 14 -7,-2.0 -8,-2.3 203,-0.2 205,-0.2 -0.905 10.3-130.9-107.8 120.3 4.2 3.0 41.7 40 40 A L - 0 0 1 203,-3.0 31,-0.1 -2,-0.5 -11,-0.1 -0.247 39.3 -84.4 -65.8 154.7 4.7 0.6 44.6 41 41 A R - 0 0 40 29,-0.5 204,-0.3 -13,-0.3 -1,-0.1 -0.331 30.5-140.9 -61.5 139.9 1.7 -1.4 45.9 42 42 A K S S+ 0 0 100 1,-0.2 2,-0.3 -3,-0.1 -1,-0.1 0.915 81.3 14.7 -67.9 -46.7 -0.4 0.4 48.4 43 43 A K + 0 0 155 27,-0.0 -1,-0.2 -3,-0.0 2,-0.0 -0.978 52.1 159.0-135.8 147.8 -1.0 -2.7 50.6 44 44 A a + 0 0 29 -2,-0.3 26,-0.2 -3,-0.1 27,-0.1 -0.452 9.0 166.3-167.6 79.8 0.4 -6.2 51.0 45 45 A D + 0 0 140 4,-0.0 5,-0.1 3,-0.0 -1,-0.0 0.910 46.6 95.1 -66.4 -51.8 -0.3 -7.7 54.4 46 46 A D >> - 0 0 75 1,-0.2 3,-1.9 3,-0.1 4,-1.0 -0.268 59.1-157.1 -53.1 106.9 0.6 -11.4 53.8 47 47 A P T 34 S+ 0 0 22 0, 0.0 4,-0.2 0, 0.0 -1,-0.2 0.699 87.1 74.1 -58.2 -18.3 4.3 -11.9 55.0 48 48 A G T 34 S+ 0 0 32 1,-0.2 -2,-0.1 2,-0.1 -3,-0.0 0.425 118.3 7.3 -78.3 0.4 4.3 -14.9 52.7 49 49 A K T <4 S+ 0 0 137 -3,-1.9 -1,-0.2 -5,-0.1 -46,-0.1 0.267 110.7 82.4-162.5 11.4 4.5 -12.9 49.5 50 50 A a S < S+ 0 0 4 -4,-1.0 20,-2.1 -5,-0.1 2,-0.3 0.185 82.2 68.4-110.3 16.1 5.0 -9.3 50.6 51 51 A F E - B 0 69A 10 -4,-0.2 -48,-0.6 18,-0.2 2,-0.5 -0.979 63.7-149.0-134.7 145.9 8.7 -9.4 51.1 52 52 A V E -aB 3 68A 2 16,-2.3 16,-2.3 -2,-0.3 2,-0.6 -0.962 19.8-138.3-112.7 130.3 11.7 -9.8 48.8 53 53 A L E -aB 4 67A 34 -50,-2.4 -48,-2.6 -2,-0.5 2,-0.6 -0.819 12.9-161.1 -93.4 123.8 14.7 -11.5 50.2 54 54 A V E -aB 5 66A 0 12,-2.8 12,-2.8 -2,-0.6 2,-0.9 -0.913 6.4-152.6-105.9 114.5 18.1 -9.9 49.3 55 55 A A E -aB 6 65A 16 -50,-2.6 -48,-2.5 -2,-0.6 2,-0.5 -0.782 13.9-171.9 -90.9 105.4 21.0 -12.3 49.7 56 56 A L E +aB 7 64A 0 8,-2.9 8,-2.8 -2,-0.9 2,-0.4 -0.875 9.7 171.2 -99.7 122.8 24.1 -10.2 50.4 57 57 A S E -aB 8 63A 31 -50,-1.8 -48,-2.5 -2,-0.5 -47,-0.4 -0.990 16.0-149.6-133.6 141.9 27.4 -12.2 50.5 58 58 A N > - 0 0 4 4,-1.9 3,-1.8 -2,-0.4 -48,-0.1 -0.357 39.7 -85.1-102.2-174.4 30.9 -11.0 50.6 59 59 A D T 3 S+ 0 0 67 1,-0.3 -1,-0.0 2,-0.1 -51,-0.0 0.815 126.5 55.7 -57.9 -32.8 34.3 -12.3 49.4 60 60 A N T 3 S- 0 0 129 74,-0.1 -1,-0.3 2,-0.1 3,-0.1 0.536 118.2-111.3 -79.1 -6.3 34.7 -14.4 52.5 61 61 A G < + 0 0 52 -3,-1.8 -2,-0.1 1,-0.3 -1,-0.1 0.356 64.7 151.9 93.8 -7.8 31.4 -16.1 51.8 62 62 A Q - 0 0 32 -5,-0.1 -4,-1.9 1,-0.1 2,-0.4 -0.358 31.3-152.0 -59.0 136.3 29.6 -14.6 54.8 63 63 A L E +B 57 0A 70 -6,-0.2 18,-0.4 -3,-0.1 2,-0.4 -0.935 21.8 179.9-121.9 137.3 25.9 -14.3 54.0 64 64 A A E -B 56 0A 0 -8,-2.8 -8,-2.9 -2,-0.4 2,-0.7 -0.983 14.3-155.7-134.4 118.7 23.2 -11.9 55.2 65 65 A E E -BC 55 79A 57 14,-2.6 14,-2.2 -2,-0.4 2,-0.4 -0.870 12.9-158.8-102.6 110.2 19.6 -12.3 53.9 66 66 A I E -BC 54 78A 1 -12,-2.8 -12,-2.8 -2,-0.7 2,-0.6 -0.735 9.0-142.7 -92.3 128.7 17.7 -9.1 54.2 67 67 A A E -BC 53 77A 0 10,-2.8 9,-2.0 -2,-0.4 10,-0.8 -0.805 20.7-166.2 -91.9 122.2 13.9 -9.0 54.2 68 68 A I E -BC 52 75A 0 -16,-2.3 -16,-2.3 -2,-0.6 7,-0.2 -0.946 19.8-125.2-118.3 123.6 12.6 -6.0 52.3 69 69 A D E > -B 51 0A 32 5,-2.8 4,-2.4 -2,-0.5 -18,-0.2 -0.416 13.4-145.6 -61.7 129.0 9.0 -4.7 52.4 70 70 A V T 4 S+ 0 0 2 -20,-2.1 -29,-0.5 1,-0.2 -1,-0.1 0.597 95.7 50.1 -76.7 -9.9 7.4 -4.5 48.9 71 71 A T T 4 S+ 0 0 28 -21,-0.3 174,-0.5 -27,-0.1 -1,-0.2 0.736 130.7 14.2 -97.5 -24.4 5.3 -1.4 49.7 72 72 A S T 4 S- 0 0 21 -3,-0.1 -2,-0.2 2,-0.1 3,-0.1 0.520 89.0-129.9-124.7 -12.9 8.1 0.7 51.2 73 73 A V < + 0 0 0 -4,-2.4 2,-0.3 1,-0.2 -3,-0.1 0.676 59.8 146.5 65.7 19.0 11.3 -1.1 50.2 74 74 A Y - 0 0 38 -5,-0.2 -5,-2.8 91,-0.1 2,-0.4 -0.619 54.6-115.1 -92.7 151.0 12.4 -0.9 53.8 75 75 A V E +C 68 0A 2 -2,-0.3 -7,-0.2 -7,-0.2 3,-0.1 -0.655 32.7 172.5 -77.5 125.3 14.4 -3.5 55.7 76 76 A V E - 0 0 14 -9,-2.0 11,-2.1 -2,-0.4 2,-0.3 0.640 62.3 -39.8-106.9 -22.0 12.4 -5.1 58.5 77 77 A G E -CD 67 86A 1 -10,-0.8 -10,-2.8 9,-0.2 -1,-0.4 -0.980 53.1-137.8 177.0-178.5 15.0 -7.8 59.5 78 78 A Y E -CD 66 85A 0 7,-2.3 7,-2.5 -2,-0.3 2,-0.4 -0.990 10.8-126.6-159.0 163.4 17.5 -10.3 58.4 79 79 A Q E +CD 65 84A 39 -14,-2.2 -14,-2.6 -2,-0.3 2,-0.4 -0.957 19.6 176.7-120.4 135.4 19.0 -13.8 58.8 80 80 A V E > - D 0 83A 1 3,-2.3 3,-2.6 -2,-0.4 -16,-0.1 -0.998 67.6 -35.1-134.5 129.8 22.6 -14.7 59.4 81 81 A R T 3 S- 0 0 133 -18,-0.4 60,-0.0 -2,-0.4 -2,-0.0 -0.341 126.1 -28.1 56.4-126.1 23.5 -18.3 60.0 82 82 A N T 3 S+ 0 0 92 62,-0.2 21,-2.6 -3,-0.1 2,-0.3 0.054 123.5 88.6-108.3 25.5 20.6 -19.9 61.9 83 83 A R E < -De 80 103A 26 -3,-2.6 -3,-2.3 19,-0.3 2,-0.3 -0.864 54.7-162.2-122.8 154.7 19.6 -16.6 63.5 84 84 A S E -De 79 104A 0 19,-2.1 21,-1.7 -2,-0.3 2,-0.4 -0.989 2.6-163.8-136.7 145.1 17.3 -13.8 62.6 85 85 A Y E -De 78 105A 0 -7,-2.5 -7,-2.3 -2,-0.3 2,-0.3 -0.991 5.0-165.5-130.9 138.2 17.1 -10.2 63.9 86 86 A F E -De 77 106A 0 19,-1.8 21,-3.5 -2,-0.4 -9,-0.2 -0.940 28.5-105.8-125.2 146.3 14.2 -7.8 63.5 87 87 A F > - 0 0 2 -11,-2.1 3,-2.0 -2,-0.3 23,-0.2 -0.332 37.4-112.9 -63.1 150.5 14.0 -4.0 64.1 88 88 A K T 3 S+ 0 0 127 21,-2.7 22,-0.2 1,-0.3 -1,-0.1 0.829 117.4 50.5 -56.3 -31.1 12.0 -3.1 67.2 89 89 A D T 3 S+ 0 0 103 20,-0.2 -1,-0.3 2,-0.0 21,-0.1 0.310 76.2 125.3 -92.7 9.7 9.3 -1.6 65.0 90 90 A A < - 0 0 8 -3,-2.0 -4,-0.1 -14,-0.2 5,-0.0 -0.479 70.0-106.8 -66.9 134.5 8.8 -4.6 62.7 91 91 A P > - 0 0 73 0, 0.0 4,-2.3 0, 0.0 3,-0.4 -0.239 23.0-113.9 -63.4 155.0 5.1 -5.5 62.7 92 92 A D H > S+ 0 0 110 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.876 114.0 57.0 -54.2 -46.1 4.0 -8.7 64.4 93 93 A A H > S+ 0 0 52 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.881 111.5 43.5 -55.5 -40.7 2.9 -10.5 61.2 94 94 A A H > S+ 0 0 1 -3,-0.4 4,-2.6 2,-0.2 -1,-0.2 0.916 111.7 52.6 -71.5 -45.2 6.4 -10.0 59.8 95 95 A Y H < S+ 0 0 53 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.896 119.2 35.9 -57.8 -42.4 8.2 -11.0 63.0 96 96 A E H < S+ 0 0 118 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.870 121.3 45.9 -80.5 -37.5 6.2 -14.2 63.2 97 97 A G H < S+ 0 0 33 -4,-2.4 3,-0.4 -5,-0.3 -2,-0.2 0.761 99.2 73.3 -80.2 -27.8 6.0 -15.0 59.5 98 98 A L S < S+ 0 0 6 -4,-2.6 -50,-0.1 1,-0.2 -20,-0.1 -0.529 97.5 8.1 -92.2 157.3 9.6 -14.4 58.2 99 99 A F S S- 0 0 16 -2,-0.2 3,-0.3 1,-0.1 -1,-0.2 0.881 76.3-170.8 45.0 54.8 12.7 -16.4 58.7 100 100 A K + 0 0 142 -3,-0.4 -1,-0.1 1,-0.2 3,-0.1 -0.332 64.5 38.2 -69.8 159.1 11.0 -19.4 60.2 101 101 A N S S+ 0 0 165 1,-0.3 2,-0.3 3,-0.0 -1,-0.2 0.934 94.9 106.4 62.2 48.7 13.3 -22.1 61.7 102 102 A T S S- 0 0 25 -3,-0.3 2,-0.9 -18,-0.0 -1,-0.3 -0.927 84.3-100.1-142.8 162.4 15.9 -19.6 63.1 103 103 A I E -e 83 0A 82 -21,-2.6 -19,-2.1 -2,-0.3 2,-0.3 -0.843 53.1-145.7 -87.0 111.7 16.6 -18.5 66.6 104 104 A K E +e 84 0A 56 -2,-0.9 2,-0.3 -21,-0.2 -19,-0.2 -0.636 23.7 177.2 -89.9 141.5 14.7 -15.2 66.5 105 105 A T E -e 85 0A 35 -21,-1.7 -19,-1.8 -2,-0.3 2,-0.6 -0.991 22.8-141.4-138.7 143.4 15.5 -11.9 68.3 106 106 A R E -e 86 0A 61 -2,-0.3 -19,-0.2 -21,-0.2 -18,-0.1 -0.933 28.9-128.6-105.6 121.9 13.9 -8.5 68.3 107 107 A L - 0 0 2 -21,-3.5 -22,-0.0 -2,-0.6 0, 0.0 -0.248 11.4-126.3 -64.9 158.1 16.4 -5.7 68.3 108 108 A H S S+ 0 0 148 -21,-0.1 2,-0.3 2,-0.1 -1,-0.1 0.132 87.7 59.4 -94.1 19.7 16.1 -3.0 70.9 109 109 A F S S- 0 0 10 10,-0.0 -21,-2.7 41,-0.0 -20,-0.2 -0.981 79.9-117.2-144.4 154.6 16.1 -0.2 68.4 110 110 A G - 0 0 8 -2,-0.3 -2,-0.1 -23,-0.2 -24,-0.0 -0.326 21.3-121.6 -85.8 173.9 14.0 0.8 65.4 111 111 A G S S+ 0 0 1 4,-0.1 -36,-0.1 -2,-0.1 -1,-0.1 0.388 73.9 110.9 -96.8 2.3 15.1 1.1 61.8 112 112 A S S > S- 0 0 42 1,-0.1 4,-2.4 4,-0.0 5,-0.2 -0.357 82.0-110.5 -71.8 159.5 14.3 4.7 61.2 113 113 A Y H > S+ 0 0 18 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.918 119.2 48.5 -58.8 -44.8 17.3 7.0 60.7 114 114 A P H > S+ 0 0 88 0, 0.0 4,-1.0 0, 0.0 -1,-0.2 0.860 111.4 51.2 -66.1 -29.8 16.8 8.8 64.1 115 115 A S H 4 S+ 0 0 46 2,-0.2 4,-0.5 1,-0.2 3,-0.3 0.907 109.5 49.6 -70.6 -39.3 16.5 5.4 65.8 116 116 A L H ><>S+ 0 0 0 -4,-2.4 5,-2.3 1,-0.2 3,-1.2 0.848 104.9 58.4 -67.2 -31.9 19.7 4.2 64.2 117 117 A E H ><5S+ 0 0 53 -4,-2.0 3,-1.9 1,-0.3 -1,-0.2 0.815 95.4 64.3 -65.6 -28.3 21.4 7.5 65.4 118 118 A G T 3<5S+ 0 0 52 -4,-1.0 -1,-0.3 -3,-0.3 -2,-0.2 0.763 102.0 49.4 -64.4 -23.6 20.4 6.4 68.8 119 119 A E T < 5S- 0 0 50 -3,-1.2 -1,-0.3 -4,-0.5 36,-0.2 0.005 128.8-100.7-102.7 24.4 22.8 3.4 68.2 120 120 A K T < 5S+ 0 0 158 -3,-1.9 2,-0.9 1,-0.2 -3,-0.2 0.538 83.0 131.4 69.9 11.9 25.5 5.8 67.1 121 121 A A < + 0 0 2 -5,-2.3 2,-0.4 -6,-0.1 -2,-0.2 -0.826 31.6 177.6 -99.9 103.1 24.9 5.2 63.4 122 122 A Y > - 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0 0 51 -2,-1.0 3,-0.1 -3,-0.7 -5,-0.1 -0.319 39.6-119.7 -69.7 152.7 15.3 7.1 -0.1 401 149 B K >> - 0 0 98 1,-0.2 4,-1.7 -2,-0.0 3,-0.7 -0.856 17.6-159.1 -97.9 109.0 14.0 10.2 1.6 402 150 B P H 3> S+ 0 0 33 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.813 90.0 58.4 -56.1 -32.8 16.9 11.9 3.5 403 151 B T H 3> S+ 0 0 37 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.884 106.9 47.0 -67.5 -35.8 14.6 13.8 5.8 404 152 B E H <> S+ 0 0 57 -3,-0.7 4,-2.1 2,-0.2 -1,-0.2 0.852 113.5 47.9 -73.3 -34.7 13.0 10.6 7.0 405 153 B I H X S+ 0 0 0 -4,-1.7 4,-2.8 2,-0.2 5,-0.2 0.935 112.6 49.5 -69.6 -45.1 16.3 8.9 7.6 406 154 B A H X S+ 0 0 0 -4,-2.7 4,-2.0 1,-0.2 -2,-0.2 0.929 112.1 47.4 -58.3 -48.5 17.6 12.0 9.4 407 155 B S H X S+ 0 0 39 -4,-2.3 4,-1.4 1,-0.2 -1,-0.2 0.921 114.1 47.2 -60.1 -46.0 14.5 12.2 11.7 408 156 B S H X S+ 0 0 2 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.896 111.8 49.4 -65.0 -41.1 14.8 8.5 12.5 409 157 B L H X S+ 0 0 2 -4,-2.8 4,-3.6 1,-0.2 -1,-0.2 0.840 104.8 58.9 -68.7 -31.4 18.5 8.6 13.2 410 158 B L H X S+ 0 0 1 -4,-2.0 4,-1.8 -5,-0.2 -1,-0.2 0.903 107.6 46.9 -63.4 -38.5 18.0 11.6 15.5 411 159 B V H X S+ 0 0 6 -4,-1.4 4,-2.5 2,-0.2 5,-0.2 0.937 115.1 46.3 -65.8 -46.4 15.6 9.4 17.6 412 160 B V H X>S+ 0 0 0 -4,-2.1 4,-2.0 1,-0.2 5,-0.8 0.921 109.3 55.0 -61.9 -45.4 18.1 6.6 17.6 413 161 B I H <>S+ 0 0 0 -4,-3.6 5,-2.4 1,-0.2 6,-0.3 0.892 114.8 38.4 -57.8 -41.5 21.0 8.8 18.4 414 162 B Q H <>S+ 0 0 0 -4,-1.8 5,-1.3 3,-0.2 -1,-0.2 0.890 118.4 45.6 -80.8 -36.4 19.4 10.2 21.5 415 163 B M H <5S+ 0 0 1 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.688 132.2 19.9 -79.5 -17.7 17.7 7.0 22.8 416 164 B V T X5S+ 0 0 2 -4,-2.0 4,-1.9 -5,-0.2 -3,-0.2 0.751 131.6 33.0-112.0 -65.3 20.8 5.0 22.2 417 165 B S H > S+ 0 0 1 68,-0.5 4,-2.5 -2,-0.5 69,-0.2 0.827 98.7 62.1 -64.2 -28.5 22.3 8.4 33.2 424 172 B F H > S+ 0 0 24 67,-1.7 4,-1.2 2,-0.2 -1,-0.2 0.922 107.6 39.3 -62.1 -45.6 20.3 11.7 33.3 425 173 B I H > S+ 0 0 2 66,-0.4 4,-1.5 -7,-0.3 -2,-0.2 0.875 112.6 57.9 -72.9 -36.5 19.1 11.3 29.7 426 174 B E H X S+ 0 0 3 -4,-2.4 4,-2.7 -7,-0.4 -2,-0.2 0.930 109.6 44.8 -56.8 -46.8 18.6 7.5 30.3 427 175 B N H X S+ 0 0 3 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.759 104.3 60.4 -73.6 -24.5 16.2 8.3 33.2 428 176 B Q H < S+ 0 0 28 -4,-1.2 -1,-0.2 2,-0.2 -2,-0.2 0.860 115.0 38.0 -68.5 -32.2 14.3 11.0 31.4 429 177 B I H >< S+ 0 0 3 -4,-1.5 3,-1.8 -3,-0.2 4,-0.4 0.889 110.4 60.5 -82.6 -41.8 13.4 8.3 28.9 430 178 B R H >< S+ 0 0 3 -4,-2.7 3,-1.1 1,-0.3 4,-0.2 0.930 110.1 40.7 -50.8 -53.0 13.0 5.6 31.5 431 179 B N T 3< S+ 0 0 1 -4,-2.0 -1,-0.3 1,-0.2 -2,-0.1 0.294 123.9 39.3 -83.5 11.9 10.2 7.4 33.3 432 180 B N T X S+ 0 0 17 -3,-1.8 3,-2.3 3,-0.1 -1,-0.2 0.080 78.1 126.2-139.0 15.5 8.5 8.6 30.1 433 181 B F T < S+ 0 0 6 -3,-1.1 -51,-2.5 -4,-0.4 -50,-0.3 0.828 76.4 41.8 -48.1 -46.1 9.1 5.3 28.2 434 182 B Q T 3 S+ 0 0 127 -4,-0.2 -1,-0.3 -53,-0.2 2,-0.2 0.274 113.1 68.2 -88.6 12.0 5.5 4.8 27.1 435 183 B Q S < S- 0 0 79 -3,-2.3 2,-0.6 -6,-0.2 -52,-0.3 -0.594 84.9-110.5-119.4-178.2 5.0 8.5 26.3 436 184 B R + 0 0 128 -2,-0.2 2,-0.3 -55,-0.1 -55,-0.2 -0.947 42.4 170.4-118.8 108.2 6.3 10.9 23.7 437 185 B I B -R 380 0J 36 -57,-2.3 -57,-2.3 -2,-0.6 -5,-0.0 -0.885 24.5-145.1-121.2 152.7 8.7 13.5 25.1 438 186 B R - 0 0 127 -2,-0.3 -59,-0.1 -59,-0.2 -62,-0.1 -0.912 36.2 -99.7-112.4 139.1 10.9 16.1 23.5 439 187 B P - 0 0 13 0, 0.0 2,-0.1 0, 0.0 -61,-0.1 -0.268 38.3-144.6 -58.8 144.8 14.3 16.9 25.1 440 188 B A > - 0 0 39 1,-0.0 4,-2.5 -3,-0.0 5,-0.2 -0.331 36.1 -82.9 -98.2-176.2 14.4 20.1 27.2 441 189 B N H > S+ 0 0 72 34,-1.1 4,-1.8 1,-0.2 32,-0.3 0.779 128.0 53.6 -61.9 -26.9 17.1 22.7 27.6 442 190 B N H > S+ 0 0 26 2,-0.2 4,-2.2 3,-0.2 31,-0.2 0.955 110.4 44.3 -72.6 -49.6 18.8 20.6 30.2 443 191 B T H > S+ 0 0 3 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.938 116.2 47.8 -58.2 -49.2 19.0 17.4 28.1 444 192 B I H X S+ 0 0 19 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.889 110.9 49.5 -62.9 -39.8 20.2 19.4 25.1 445 193 B S H X S+ 0 0 9 -4,-1.8 4,-2.1 -5,-0.2 -1,-0.2 0.889 110.3 52.2 -67.9 -36.6 22.9 21.4 27.0 446 194 B L H < S+ 0 0 2 -4,-2.2 4,-0.4 2,-0.2 -2,-0.2 0.941 109.4 48.6 -61.6 -48.7 24.2 18.1 28.4 447 195 B E H >< S+ 0 0 9 -4,-2.3 3,-0.9 1,-0.2 4,-0.3 0.907 112.2 49.8 -58.0 -43.4 24.4 16.5 25.0 448 196 B N H 3< S+ 0 0 83 -4,-2.2 3,-0.3 1,-0.2 4,-0.3 0.856 114.6 44.0 -64.7 -36.2 26.2 19.6 23.7 449 197 B K T 3X S+ 0 0 52 -4,-2.1 4,-2.9 1,-0.2 5,-0.3 0.226 76.6 106.6 -97.1 14.2 28.7 19.6 26.6 450 198 B W H <> S+ 0 0 6 -3,-0.9 4,-2.6 -4,-0.4 46,-0.3 0.933 84.7 45.6 -58.0 -47.1 29.7 15.9 26.8 451 199 B G H > S+ 0 0 18 -3,-0.3 4,-2.3 -4,-0.3 -1,-0.2 0.928 115.6 45.6 -61.9 -46.9 33.1 16.5 25.3 452 200 B K H > S+ 0 0 57 -4,-0.3 4,-2.6 2,-0.2 5,-0.2 0.906 114.5 47.5 -64.0 -43.9 33.9 19.6 27.5 453 201 B L H X S+ 0 0 0 -4,-2.9 4,-2.7 1,-0.2 5,-0.2 0.922 111.7 51.8 -62.9 -43.0 32.6 17.9 30.7 454 202 B S H X S+ 0 0 0 -4,-2.6 4,-2.4 -5,-0.3 5,-0.2 0.904 111.6 46.9 -60.6 -42.1 34.7 14.8 29.8 455 203 B F H X S+ 0 0 23 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.951 114.0 45.5 -66.6 -49.3 37.8 16.9 29.3 456 204 B Q H X S+ 0 0 5 -4,-2.6 4,-0.9 2,-0.2 -2,-0.2 0.904 116.2 47.0 -61.9 -40.8 37.4 18.9 32.5 457 205 B I H >< S+ 0 0 0 -4,-2.7 3,-0.7 -5,-0.2 -2,-0.2 0.966 113.0 46.8 -66.3 -51.5 36.6 15.8 34.6 458 206 B R H 3< S+ 0 0 60 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.867 116.5 43.9 -60.0 -38.6 39.4 13.6 33.2 459 207 B T H 3< S+ 0 0 60 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.588 91.9 103.3 -85.8 -9.2 42.1 16.3 33.6 460 208 B S S << S- 0 0 17 -4,-0.9 6,-0.1 -3,-0.7 -173,-0.1 -0.270 70.0-120.1 -70.3 159.4 41.0 17.5 37.1 461 209 B G > - 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