==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 01-MAY-10 3MTW . COMPND 2 MOLECULE: L-ARGININE CARBOXYPEPTIDASE CC2672; . SOURCE 2 ORGANISM_SCIENTIFIC: CAULOBACTER VIBRIOIDES; . AUTHOR A.A.FEDOROV,E.V.FEDOROV,D.F.XIANG,F.M.RAUSHEL,S.C.ALMO . 404 2 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15854.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 307 76.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 47 11.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 37 9.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 35 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 50 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 106 26.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 3.2 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 0 0 0 3 0 1 2 1 0 2 0 0 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 1 2 3 1 0 1 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 2 2 1 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 27 A A 0 0 106 0, 0.0 2,-0.7 0, 0.0 27,-0.0 0.000 360.0 360.0 360.0 160.3 21.3 112.2 50.6 2 28 A E - 0 0 99 44,-0.0 27,-2.7 2,-0.0 2,-0.5 -0.874 360.0-177.8 -97.3 115.2 24.4 111.6 48.5 3 29 A I E -A 28 0A 20 -2,-0.7 44,-3.1 42,-0.3 2,-0.4 -0.956 14.1-175.7-126.4 126.9 26.9 114.4 49.4 4 30 A K E -Ab 27 47A 27 23,-2.4 23,-2.7 -2,-0.5 2,-0.6 -0.946 11.3-158.3-116.1 141.5 30.3 115.1 48.0 5 31 A A E -Ab 26 48A 5 42,-2.9 44,-2.9 -2,-0.4 2,-0.6 -0.941 17.2-165.9-118.4 106.1 32.6 117.9 49.3 6 32 A V E -Ab 25 49A 0 19,-3.3 19,-3.3 -2,-0.6 2,-0.3 -0.825 7.1-177.1-102.3 120.5 35.1 118.7 46.5 7 33 A S E +Ab 24 50A 3 42,-2.5 44,-2.7 -2,-0.6 2,-0.3 -0.857 8.9 158.4-113.2 151.1 38.2 120.7 47.3 8 34 A A E - b 0 51A 4 15,-1.3 30,-0.2 -2,-0.3 47,-0.1 -0.924 52.0 -98.4-153.9 177.6 40.9 121.9 44.9 9 35 A A E S- 0 0 30 45,-1.5 13,-2.8 42,-0.8 2,-0.3 0.883 100.4 -3.2 -70.7 -37.5 43.6 124.6 44.6 10 36 A R E -Cb 21 55A 60 44,-1.4 46,-2.8 11,-0.3 2,-0.4 -0.970 56.0-147.1-151.1 157.9 41.5 126.9 42.4 11 37 A L E -Cb 20 56A 6 9,-2.2 9,-2.9 -2,-0.3 2,-0.7 -1.000 19.4-135.5-130.0 133.5 38.2 127.2 40.7 12 38 A L E -C 19 0A 1 44,-2.9 2,-0.9 -2,-0.4 353,-0.3 -0.797 8.4-151.8 -88.3 117.2 37.6 129.1 37.4 13 39 A D E >> -C 18 0A 62 5,-2.7 4,-2.2 -2,-0.7 5,-0.6 -0.803 9.7-164.9 -80.6 107.2 34.5 131.3 37.4 14 40 A V T 45S+ 0 0 2 -2,-0.9 -1,-0.2 1,-0.2 335,-0.1 0.717 82.0 56.9 -74.3 -18.6 33.7 131.2 33.7 15 41 A A T 45S+ 0 0 50 1,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.943 121.0 25.8 -72.3 -47.8 31.3 134.1 33.9 16 42 A S T 45S- 0 0 56 2,-0.2 -2,-0.2 1,-0.0 -1,-0.1 0.680 97.5-130.4 -90.1 -20.0 33.9 136.6 35.4 17 43 A G T <5 + 0 0 14 -4,-2.2 2,-0.3 1,-0.3 -3,-0.2 0.598 66.1 127.5 76.8 12.8 37.0 134.9 34.1 18 44 A K E < -C 13 0A 141 -5,-0.6 -5,-2.7 -6,-0.0 2,-0.3 -0.752 59.0-123.6-104.9 149.6 38.5 135.0 37.5 19 45 A Y E -C 12 0A 55 -2,-0.3 2,-0.5 -7,-0.2 -7,-0.2 -0.696 15.7-152.0 -84.6 141.9 40.1 132.3 39.7 20 46 A V E -C 11 0A 46 -9,-2.9 -9,-2.2 -2,-0.3 2,-0.2 -0.966 21.7-130.0-110.4 126.1 38.7 131.6 43.1 21 47 A D E S-C 10 0A 97 -2,-0.5 -11,-0.3 -11,-0.2 -12,-0.1 -0.523 74.2 -1.6 -82.0 145.4 41.3 130.2 45.5 22 48 A N S S- 0 0 90 -13,-2.8 16,-2.7 -2,-0.2 -1,-0.2 0.854 81.6-167.4 50.4 50.6 40.9 127.0 47.7 23 49 A P E - D 0 37A 0 0, 0.0 -15,-1.3 0, 0.0 2,-0.4 -0.295 17.0-162.8 -66.7 150.2 37.3 126.2 46.6 24 50 A L E -AD 7 36A 13 12,-1.5 12,-3.0 -17,-0.2 2,-0.6 -0.940 11.9-167.9-130.9 109.2 35.1 123.7 48.5 25 51 A V E -AD 6 35A 0 -19,-3.3 -19,-3.3 -2,-0.4 2,-0.5 -0.883 4.6-157.9-105.8 118.4 32.2 122.7 46.3 26 52 A I E -AD 5 34A 12 8,-2.5 7,-2.7 -2,-0.6 8,-1.4 -0.856 5.6-167.0 -98.0 128.3 29.4 120.7 48.0 27 53 A V E -AD 4 32A 1 -23,-2.7 -23,-2.4 -2,-0.5 2,-0.5 -0.976 2.2-169.9-117.0 124.2 27.2 118.6 45.8 28 54 A T E > S-AD 3 31A 35 3,-3.1 3,-2.0 -2,-0.5 -25,-0.2 -0.966 72.2 -21.9-120.1 118.5 24.0 117.3 47.2 29 55 A D T 3 S- 0 0 110 -27,-2.7 -1,-0.2 -2,-0.5 -26,-0.1 0.866 130.3 -47.6 47.6 41.6 22.0 114.7 45.3 30 56 A G T 3 S+ 0 0 10 -28,-0.4 341,-3.3 1,-0.2 2,-0.4 0.294 119.7 101.1 90.3 -9.6 23.7 115.9 42.1 31 57 A R E < S-DE 28 370A 74 -3,-2.0 -3,-3.1 339,-0.3 2,-0.4 -0.890 76.8-114.1-112.5 138.7 23.2 119.6 42.6 32 58 A I E +D 27 0A 2 337,-3.1 336,-2.7 -2,-0.4 -5,-0.3 -0.568 36.3 171.4 -66.6 123.1 25.7 122.1 43.8 33 59 A T E + 0 0 71 -7,-2.7 2,-0.3 -2,-0.4 -6,-0.2 0.579 61.8 14.5-109.8 -15.3 24.5 123.4 47.1 34 60 A S E -D 26 0A 45 -8,-1.4 -8,-2.5 332,-0.1 2,-0.4 -0.972 43.8-165.1-160.1 141.9 27.6 125.4 48.2 35 61 A I E +D 25 0A 55 -2,-0.3 -10,-0.2 -10,-0.2 2,-0.1 -0.855 44.5 137.8-124.4 93.0 30.8 127.0 46.9 36 62 A G E -D 24 0A 13 -12,-3.0 -12,-1.5 -2,-0.4 2,-0.4 -0.030 51.8 -72.7-110.9-145.7 32.8 127.8 50.0 37 63 A K E > -D 23 0A 93 -14,-0.3 3,-2.5 -2,-0.1 -15,-0.1 -0.927 48.2 -93.9-121.7 145.6 36.4 127.5 51.0 38 64 A K T 3 S+ 0 0 123 -16,-2.7 -14,-0.1 -2,-0.4 3,-0.1 -0.301 115.9 38.0 -53.2 136.3 38.5 124.5 52.0 39 65 A G T 3 S+ 0 0 79 1,-0.4 -1,-0.3 -3,-0.0 3,-0.1 0.215 89.5 127.6 99.7 -13.5 38.3 124.2 55.8 40 66 A D < - 0 0 85 -3,-2.5 -1,-0.4 1,-0.1 -4,-0.0 -0.273 69.7 -85.2 -70.8 163.8 34.7 125.2 55.8 41 67 A A - 0 0 94 -3,-0.1 -1,-0.1 1,-0.0 -5,-0.1 -0.304 41.7-158.6 -64.5 149.5 32.0 123.1 57.6 42 68 A V - 0 0 73 -3,-0.1 3,-0.1 4,-0.1 -37,-0.0 -0.947 23.1-104.1-127.1 153.3 30.4 120.2 55.8 43 69 A P > - 0 0 57 0, 0.0 3,-1.7 0, 0.0 -40,-0.0 -0.331 51.6 -81.7 -70.1 160.3 27.1 118.5 56.5 44 70 A A T 3 S+ 0 0 101 1,-0.2 -41,-0.0 -2,-0.0 0, 0.0 -0.335 116.7 26.8 -58.2 138.7 27.0 115.2 58.1 45 71 A G T 3 S+ 0 0 69 1,-0.3 -42,-0.3 -3,-0.1 -1,-0.2 0.256 82.6 150.0 95.1 -12.2 27.6 112.3 55.7 46 72 A A < - 0 0 27 -3,-1.7 2,-0.6 -44,-0.1 -1,-0.3 -0.302 40.3-139.9 -61.7 132.0 29.6 114.4 53.2 47 73 A T E -b 4 0A 69 -44,-3.1 -42,-2.9 -2,-0.0 2,-0.3 -0.836 18.6-130.6 -94.0 123.6 32.3 112.4 51.3 48 74 A A E -b 5 0A 69 -2,-0.6 2,-0.5 -44,-0.2 -42,-0.2 -0.559 23.5-177.9 -78.2 131.1 35.5 114.3 50.8 49 75 A V E -b 6 0A 20 -44,-2.9 -42,-2.5 -2,-0.3 2,-0.5 -0.942 11.9-170.1-125.1 106.4 37.1 114.5 47.4 50 76 A D E -b 7 0A 92 -2,-0.5 -42,-0.2 -44,-0.2 -44,-0.1 -0.871 13.3-178.5-108.1 125.7 40.4 116.4 47.6 51 77 A L E > -b 8 0A 4 -44,-2.7 3,-1.2 -2,-0.5 -42,-0.8 -0.705 16.5-161.0-120.8 77.8 42.2 117.5 44.5 52 78 A P E 3 + 0 0 114 0, 0.0 3,-0.1 0, 0.0 -44,-0.0 -0.310 67.9 6.2 -65.0 139.6 45.4 119.2 45.6 53 79 A G E 3 S+ 0 0 65 1,-0.2 325,-0.4 324,-0.0 2,-0.2 0.329 104.6 101.6 83.8 -5.6 47.2 121.5 43.2 54 80 A V E < - 0 0 18 -3,-1.2 -45,-1.5 323,-0.1 -44,-1.4 -0.653 65.5-117.0-116.7 170.3 44.7 121.5 40.4 55 81 A T E -bF 10 376A 2 321,-2.6 321,-2.3 -2,-0.2 -44,-0.2 -0.908 18.7-139.4-116.4 123.6 42.0 123.8 39.0 56 82 A L E +bF 11 375A 0 -46,-2.8 -44,-2.9 -2,-0.5 319,-0.2 -0.564 23.3 175.2 -77.2 141.3 38.2 123.1 38.8 57 83 A L E - F 0 374A 0 317,-2.6 317,-2.3 -2,-0.2 3,-0.1 -0.904 39.7 -87.6-133.2 162.4 36.2 124.1 35.8 58 84 A P E - F 0 373A 1 0, 0.0 315,-0.3 0, 0.0 307,-0.1 -0.371 60.0 -84.3 -61.7 153.2 32.5 123.5 34.9 59 85 A G - 0 0 4 313,-1.9 304,-0.3 305,-0.1 43,-0.2 -0.358 57.4-110.6 -51.8 139.5 31.8 120.2 33.0 60 86 A L E -i 102 0B 0 41,-2.6 44,-1.6 -3,-0.1 43,-1.1 -0.430 25.9-146.1 -84.6 155.8 32.4 120.8 29.3 61 87 A I E -i 104 0B 0 287,-1.9 2,-0.6 41,-0.2 44,-0.2 -0.971 7.5-163.3-125.3 127.8 29.7 121.0 26.7 62 88 A D E -i 105 0B 0 42,-1.6 44,-2.3 -2,-0.4 254,-0.2 -0.954 3.9-166.1-110.5 115.2 30.0 119.9 23.1 63 89 A M E S+ 0 0 0 252,-3.6 2,-0.2 -2,-0.6 253,-0.2 0.394 75.8 45.1 -81.0 2.3 27.1 121.3 21.0 64 90 A H E + 0 0 1 251,-0.3 254,-2.2 43,-0.1 255,-1.1 -0.658 69.5 136.9-153.7 89.1 27.6 119.1 18.0 65 91 A V E -ij 107 319B 0 41,-2.1 43,-2.1 253,-0.2 2,-0.3 -0.915 37.6-153.3-130.8 159.7 28.2 115.3 18.3 66 92 A H > + 0 0 14 253,-2.0 3,-1.6 -2,-0.3 258,-0.1 -0.776 17.5 179.5-128.5 85.4 27.0 112.2 16.6 67 93 A L T 3 S+ 0 0 0 -2,-0.3 26,-0.3 1,-0.3 27,-0.1 0.715 75.5 58.0 -67.8 -22.8 27.3 109.5 19.3 68 94 A D T 3 S+ 0 0 13 41,-0.2 2,-0.3 25,-0.1 -1,-0.3 0.129 96.6 77.9 -94.8 23.4 26.0 106.6 17.1 69 95 A S < - 0 0 34 -3,-1.6 2,-0.4 250,-0.1 -3,-0.1 -0.880 68.6-142.1-121.9 161.9 28.6 107.1 14.4 70 96 A L > - 0 0 44 3,-0.4 3,-1.2 -2,-0.3 -3,-0.0 -0.990 9.9-143.1-126.9 129.6 32.3 106.0 14.4 71 97 A A T 3 S+ 0 0 14 -2,-0.4 -1,-0.1 1,-0.3 211,-0.0 0.891 102.3 51.9 -55.9 -41.5 35.1 108.1 12.9 72 98 A E T 3 S+ 0 0 142 1,-0.2 2,-0.8 211,-0.0 -1,-0.3 0.600 97.2 71.0 -77.0 -12.2 36.9 105.0 11.6 73 99 A V < + 0 0 26 -3,-1.2 -3,-0.4 210,-0.0 2,-0.2 -0.797 69.6 154.0-106.2 88.1 33.9 103.6 9.9 74 100 A G > - 0 0 14 208,-2.3 3,-1.3 -2,-0.8 4,-0.3 -0.626 44.9 -1.2-108.5 169.3 33.4 106.0 6.9 75 101 A G G > S- 0 0 40 1,-0.2 3,-1.5 -2,-0.2 4,-0.2 -0.057 125.6 -16.1 50.1-147.1 31.8 105.5 3.5 76 102 A Y G > S+ 0 0 100 207,-0.4 3,-1.9 1,-0.3 4,-0.3 0.587 116.2 86.6 -71.9 -9.4 30.4 102.2 2.5 77 103 A N G X S+ 0 0 68 -3,-1.3 3,-1.3 1,-0.3 -1,-0.3 0.788 78.9 66.6 -56.8 -29.5 32.2 100.3 5.3 78 104 A S G X S+ 0 0 42 -3,-1.5 3,-1.1 -4,-0.3 -1,-0.3 0.726 85.3 72.6 -65.6 -21.3 29.3 101.2 7.6 79 105 A L G < S+ 0 0 101 -3,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.693 81.5 70.0 -70.5 -17.6 27.0 99.0 5.5 80 106 A E G < S+ 0 0 163 -3,-1.3 -1,-0.2 -4,-0.3 2,-0.2 0.733 88.6 78.3 -73.0 -21.1 28.6 95.8 6.9 81 107 A Y S < S- 0 0 101 -3,-1.1 2,-0.0 -4,-0.3 5,-0.0 -0.523 84.3-111.0 -90.4 153.1 27.1 96.3 10.3 82 108 A S >> - 0 0 79 -2,-0.2 4,-0.7 1,-0.1 3,-0.5 -0.314 34.1-109.2 -67.9 163.1 23.5 95.6 11.5 83 109 A D H >> S+ 0 0 117 1,-0.2 4,-0.9 2,-0.2 3,-0.7 0.880 117.4 53.4 -61.7 -39.7 21.4 98.6 12.4 84 110 A R H 3> S+ 0 0 123 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.632 88.9 77.8 -80.3 -11.9 21.5 97.9 16.1 85 111 A F H <> S+ 0 0 57 -3,-0.5 4,-3.1 2,-0.2 3,-0.5 0.945 98.0 46.1 -51.9 -48.5 25.3 97.8 16.2 86 112 A W H X S+ 0 0 93 -4,-1.5 3,-2.0 -3,-0.5 4,-0.6 0.897 110.4 53.7 -87.3 -48.0 24.9 99.7 21.0 89 115 A V H >X S+ 0 0 25 -4,-3.1 4,-2.1 1,-0.3 3,-0.7 0.793 92.6 73.8 -65.0 -25.5 28.3 101.3 20.2 90 116 A Q H 3X S+ 0 0 7 -4,-1.7 4,-2.5 1,-0.2 -1,-0.3 0.786 89.7 62.1 -55.1 -25.5 26.9 104.8 21.0 91 117 A T H <> S+ 0 0 53 -3,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.914 104.0 46.0 -67.0 -42.2 27.1 103.6 24.6 92 118 A A H S+ 0 0 0 -4,-2.1 5,-1.9 2,-0.2 3,-0.3 0.934 111.2 45.5 -67.5 -46.3 32.9 111.5 25.9 98 124 A L H ><5S+ 0 0 7 -4,-2.4 3,-1.9 1,-0.2 -2,-0.2 0.900 110.1 54.8 -62.0 -40.7 32.0 111.7 29.6 99 125 A E H 3<5S+ 0 0 84 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.779 100.8 60.1 -70.4 -21.7 35.5 110.5 30.5 100 126 A A T 3<5S- 0 0 14 -4,-1.2 -1,-0.3 -3,-0.3 -2,-0.2 0.456 127.8 -98.2 -81.1 -2.7 37.0 113.3 28.5 101 127 A G T < 5S+ 0 0 0 -3,-1.9 -41,-2.6 1,-0.2 2,-1.0 0.506 82.5 133.2 101.8 6.8 35.2 115.8 30.7 102 128 A F E < +i 60 0B 0 -5,-1.9 -1,-0.2 -43,-0.2 -41,-0.2 -0.784 20.9 167.7 -96.5 98.7 32.2 116.5 28.4 103 129 A T E + 0 0 2 -43,-1.1 28,-3.0 -2,-1.0 2,-0.4 0.606 65.9 36.0 -91.8 -18.1 29.3 116.2 30.8 104 130 A T E +ik 61 131B 0 -44,-1.6 -42,-1.6 26,-0.3 2,-0.3 -0.999 68.2 170.9-131.3 135.7 26.6 117.7 28.5 105 131 A V E -ik 62 132B 0 26,-2.6 28,-2.7 -2,-0.4 2,-0.6 -0.976 28.4-136.0-138.3 158.8 26.4 117.2 24.7 106 132 A R E - k 0 133B 3 -44,-2.3 -41,-2.1 -2,-0.3 2,-0.6 -0.964 17.6-150.4-114.3 114.5 23.9 118.0 22.0 107 133 A N E -ik 65 134B 0 26,-2.3 28,-2.1 -2,-0.6 -41,-0.2 -0.769 11.3-168.9 -88.0 119.1 23.4 115.1 19.5 108 134 A V - 0 0 0 -43,-2.1 -1,-0.1 -2,-0.6 -42,-0.1 -0.294 63.7 -3.0-114.2 50.0 22.6 116.7 16.2 109 135 A G + 0 0 7 27,-0.2 -1,-0.3 -2,-0.1 2,-0.3 0.112 65.8 165.0 132.6 114.9 21.4 113.7 14.1 110 136 A A - 0 0 11 26,-1.9 3,-0.4 -3,-0.1 2,-0.4 -0.894 39.7 -89.8-142.2 168.3 21.3 110.0 14.8 111 137 A A S > S- 0 0 55 -2,-0.3 3,-2.4 1,-0.2 4,-0.1 -0.703 91.4 -19.4 -90.7 134.5 19.7 107.0 13.3 112 138 A D T 3 S- 0 0 100 -2,-0.4 -1,-0.2 1,-0.3 24,-0.0 0.739 122.5 -53.8 43.2 46.5 16.2 105.7 14.2 113 139 A Y T 3> S+ 0 0 51 -3,-0.4 4,-2.0 3,-0.1 -1,-0.3 0.651 90.4 146.0 68.4 21.8 16.0 107.5 17.6 114 140 A D H <> S+ 0 0 10 -3,-2.4 4,-2.3 1,-0.2 5,-0.2 0.905 72.1 50.4 -50.1 -48.3 19.3 106.0 18.9 115 141 A D H > S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.861 106.5 54.3 -66.3 -35.0 20.1 109.2 20.8 116 142 A V H > S+ 0 0 10 2,-0.2 4,-2.3 -3,-0.2 -1,-0.2 0.934 110.6 46.8 -60.9 -45.3 16.7 109.3 22.4 117 143 A G H X S+ 0 0 38 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.895 112.3 50.0 -62.1 -43.1 17.2 105.8 23.7 118 144 A L H X S+ 0 0 3 -4,-2.3 4,-2.6 2,-0.2 5,-0.2 0.914 110.0 50.3 -63.8 -45.0 20.7 106.6 24.9 119 145 A R H X S+ 0 0 32 -4,-2.6 4,-3.0 1,-0.2 5,-0.2 0.939 111.3 48.9 -56.8 -47.5 19.5 109.7 26.8 120 146 A E H X S+ 0 0 118 -4,-2.3 4,-1.7 1,-0.2 -2,-0.2 0.909 112.6 47.3 -62.5 -41.6 16.8 107.7 28.5 121 147 A A H <>S+ 0 0 28 -4,-2.3 5,-2.1 2,-0.2 6,-0.8 0.886 115.7 44.2 -67.0 -43.0 19.2 104.9 29.5 122 148 A I H ><5S+ 0 0 8 -4,-2.6 3,-1.4 4,-0.2 -2,-0.2 0.942 113.3 50.3 -65.2 -47.7 21.8 107.4 30.9 123 149 A D H 3<5S+ 0 0 97 -4,-3.0 -2,-0.2 1,-0.3 -1,-0.2 0.827 110.5 50.2 -65.1 -30.1 19.2 109.5 32.7 124 150 A A T 3<5S- 0 0 68 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.502 118.3-112.1 -86.5 -5.6 17.7 106.5 34.3 125 151 A G T < 5S+ 0 0 64 -3,-1.4 -3,-0.2 -4,-0.4 -2,-0.1 0.509 82.2 119.0 94.3 6.8 21.2 105.3 35.5 126 152 A Y S S- 0 0 12 46,-0.5 3,-2.1 -2,-0.2 5,-0.2 -0.347 73.4 -92.2 -73.9 149.8 15.3 118.7 1.4 142 168 A T T 3 S+ 0 0 76 1,-0.3 -1,-0.1 21,-0.1 3,-0.1 -0.378 117.4 16.4 -51.7 135.8 14.9 115.5 -0.7 143 169 A G T 3 S+ 0 0 43 1,-0.2 -1,-0.3 5,-0.1 -2,-0.1 0.426 106.6 122.6 76.5 -1.2 18.3 114.8 -2.2 144 170 A G S X S- 0 0 2 -3,-2.1 3,-1.9 59,-0.1 -1,-0.2 -0.055 83.6 -79.3 -87.6-172.2 20.0 117.1 0.2 145 171 A H T 3 S+ 0 0 18 1,-0.3 4,-0.1 44,-0.3 45,-0.1 0.752 129.2 50.3 -63.3 -27.2 22.8 116.7 2.7 146 172 A a T 3 S+ 0 0 16 -5,-0.2 -1,-0.3 41,-0.2 2,-0.2 0.395 100.1 81.0 -91.2 0.0 20.5 115.2 5.3 147 173 A D S < S- 0 0 20 -3,-1.9 2,-0.6 -6,-0.2 11,-0.1 -0.491 97.7 -91.7 -95.9 169.9 19.1 112.6 2.8 148 174 A S + 0 0 43 -2,-0.2 -5,-0.1 1,-0.1 3,-0.1 -0.789 51.9 166.5 -81.1 121.3 20.7 109.3 1.8 149 175 A T + 0 0 20 -2,-0.6 -1,-0.1 -4,-0.1 -4,-0.0 0.336 51.1 77.1-123.6 5.4 22.8 110.3 -1.3 150 176 A F S S+ 0 0 42 2,-0.1 -1,-0.1 -75,-0.0 46,-0.0 0.233 80.8 78.0-105.6 14.7 25.1 107.4 -2.0 151 177 A F S S- 0 0 56 6,-0.2 6,-0.1 -3,-0.1 5,-0.0 -0.926 75.9-111.4-130.8 149.0 22.7 104.9 -3.7 152 178 A P > - 0 0 66 0, 0.0 3,-1.7 0, 0.0 4,-0.5 -0.287 39.9-103.4 -72.1 162.2 21.1 104.4 -7.1 153 179 A P G > S+ 0 0 126 0, 0.0 3,-1.3 0, 0.0 -2,-0.0 0.770 115.0 70.3 -61.2 -28.6 17.3 104.9 -7.5 154 180 A S G 3 S+ 0 0 110 1,-0.3 -3,-0.0 2,-0.1 0, 0.0 0.804 97.5 51.9 -57.0 -30.6 16.6 101.1 -7.6 155 181 A M G < S- 0 0 93 -3,-1.7 -1,-0.3 2,-0.1 -4,-0.0 0.630 94.4-151.4 -84.2 -13.5 17.5 101.0 -3.9 156 182 A D < + 0 0 103 -3,-1.3 2,-0.6 -4,-0.5 -2,-0.1 0.859 25.1 174.9 45.7 51.5 15.0 103.8 -3.1 157 183 A Q + 0 0 99 -5,-0.4 2,-0.3 -9,-0.1 -1,-0.2 -0.798 8.6 150.2 -91.6 120.7 17.0 105.0 -0.1 158 184 A K - 0 0 127 -2,-0.6 -11,-0.1 -11,-0.1 -9,-0.1 -0.996 51.3-108.4-151.8 143.3 15.5 108.2 1.4 159 185 A N > - 0 0 22 -2,-0.3 3,-2.5 1,-0.2 -19,-0.1 -0.586 27.7-140.5 -66.1 121.0 15.2 109.9 4.8 160 186 A P T 3 S+ 0 0 111 0, 0.0 -1,-0.2 0, 0.0 -21,-0.1 0.749 101.9 58.9 -60.2 -18.5 11.6 109.5 5.9 161 187 A F T 3 S+ 0 0 24 -23,-0.2 11,-0.1 2,-0.1 -2,-0.1 0.357 70.2 137.6 -93.5 6.0 11.8 113.1 7.2 162 188 A N < - 0 0 12 -3,-2.5 2,-0.4 -23,-0.1 -21,-0.2 -0.296 39.1-161.3 -44.5 130.3 12.8 114.6 3.8 163 189 A S + 0 0 3 -23,-2.7 -21,-0.1 1,-0.1 -2,-0.1 -0.988 25.5 171.5-130.7 125.3 10.7 117.7 3.7 164 190 A D + 0 0 82 -2,-0.4 3,-0.1 -23,-0.1 -1,-0.1 0.020 66.7 39.0-126.4 24.8 9.9 119.7 0.5 165 191 A S S > S- 0 0 46 1,-0.1 4,-2.4 43,-0.1 5,-0.2 -0.954 85.0-107.8-160.1 160.4 7.4 122.2 1.7 166 192 A P H > S+ 0 0 47 0, 0.0 4,-2.3 0, 0.0 5,-0.1 0.914 119.9 49.2 -57.8 -42.0 6.9 124.4 4.7 167 193 A D H > S+ 0 0 120 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.842 109.9 50.1 -69.8 -32.4 4.0 122.3 5.9 168 194 A E H > S+ 0 0 86 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.900 111.2 49.8 -68.9 -38.6 5.8 119.0 5.4 169 195 A A H X S+ 0 0 3 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.899 109.4 52.0 -63.0 -39.6 8.7 120.5 7.4 170 196 A R H X S+ 0 0 54 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.926 109.1 50.2 -61.9 -43.2 6.3 121.5 10.1 171 197 A K H X S+ 0 0 143 -4,-2.1 4,-2.7 1,-0.2 -1,-0.2 0.892 107.4 54.1 -62.1 -40.4 5.0 118.0 10.2 172 198 A A H X S+ 0 0 6 -4,-2.2 4,-2.8 2,-0.2 5,-0.2 0.925 107.9 49.8 -59.1 -45.0 8.5 116.6 10.6 173 199 A V H X S+ 0 0 0 -4,-2.2 4,-2.6 1,-0.2 5,-0.2 0.932 111.8 48.8 -58.1 -46.3 9.1 118.9 13.6 174 200 A R H X S+ 0 0 122 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.899 113.2 45.9 -63.2 -42.0 5.8 117.6 15.1 175 201 A T H X S+ 0 0 41 -4,-2.7 4,-1.2 2,-0.2 -1,-0.2 0.911 113.3 49.4 -67.9 -41.3 6.7 114.0 14.5 176 202 A L H <>S+ 0 0 0 -4,-2.8 5,-2.7 -5,-0.2 3,-0.5 0.929 111.5 48.3 -64.7 -44.8 10.3 114.4 15.8 177 203 A K H ><5S+ 0 0 93 -4,-2.6 3,-1.6 1,-0.2 -1,-0.2 0.910 106.4 59.0 -60.5 -42.9 9.1 116.1 19.0 178 204 A K H 3<5S+ 0 0 149 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.839 111.1 41.7 -52.2 -36.5 6.5 113.4 19.5 179 205 A Y T 3<5S- 0 0 119 -4,-1.2 -1,-0.3 -3,-0.5 -2,-0.2 0.107 135.5 -71.3-110.2 20.4 9.3 110.8 19.6 180 206 A G T < 5S+ 0 0 16 -3,-1.6 2,-0.3 1,-0.3 -46,-0.2 0.450 72.4 149.9 116.4 1.2 11.8 112.6 21.7 181 207 A A < + 0 0 7 -5,-2.7 -1,-0.3 -46,-0.2 -46,-0.2 -0.505 14.9 177.9 -65.1 126.7 13.4 115.5 19.8 182 208 A Q S S+ 0 0 78 -48,-3.4 40,-0.5 1,-0.3 2,-0.3 0.406 76.4 18.1-106.4 -6.0 14.4 118.2 22.4 183 209 A V E S- n 0 222C 5 -49,-0.9 2,-0.4 38,-0.2 -1,-0.3 -0.930 82.7-122.8-157.2 153.3 16.0 120.3 19.6 184 210 A I E - 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