==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 20-DEC-07 3BQW . COMPND 2 MOLECULE: PUTATIVE CAPSID PROTEIN OF PROPHAGE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI CFT073; . AUTHOR R.ZHANG,C.HATZOS,J.ABDULLAH,A.JOACHIMIAK,MIDWEST CENTER FOR . 347 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17841.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 232 66.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 14 4.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 62 17.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.6 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 . 30 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 42 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 70 20.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.6 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 1 1 3 0 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 RESIDUES PER ALPHA HELIX . 0 0 1 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 PARALLEL BRIDGES PER LADDER . 2 2 3 5 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 ANTIPARALLEL BRIDGES PER LADDER . 3 2 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 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 5 A A 0 0 100 0, 0.0 2,-0.4 0, 0.0 314,-0.1 0.000 360.0 360.0 360.0 118.8 41.1 23.9 34.1 2 6 A M - 0 0 152 312,-0.0 2,-0.1 0, 0.0 312,-0.0 -0.911 360.0-114.6-106.7 140.4 42.1 20.2 34.3 3 7 A A - 0 0 41 -2,-0.4 2,-0.2 312,-0.1 311,-0.1 -0.473 30.4-118.1 -73.9 139.1 42.6 18.1 31.1 4 8 A L - 0 0 26 -2,-0.1 309,-0.5 1,-0.1 2,-0.1 -0.582 27.6-127.0 -74.5 139.6 40.2 15.3 30.6 5 9 A N >> - 0 0 82 -2,-0.2 4,-1.7 307,-0.1 3,-0.6 -0.365 27.6-101.1 -82.7 171.9 41.8 11.9 30.4 6 10 A T H 3> S+ 0 0 24 1,-0.3 4,-3.0 2,-0.2 5,-0.2 0.812 119.2 59.4 -75.8 -27.8 41.2 9.5 27.6 7 11 A N H 3> S+ 0 0 131 2,-0.2 4,-1.7 1,-0.2 -1,-0.3 0.881 107.5 50.6 -57.8 -37.6 38.7 7.3 29.3 8 12 A Q H <> S+ 0 0 92 -3,-0.6 4,-0.9 2,-0.2 -2,-0.2 0.908 112.5 44.9 -68.3 -41.8 36.6 10.5 29.7 9 13 A L H X S+ 0 0 2 -4,-1.7 4,-2.3 1,-0.2 3,-0.4 0.889 111.6 52.4 -68.9 -40.5 37.0 11.3 26.1 10 14 A F H X S+ 0 0 30 -4,-3.0 4,-2.5 1,-0.2 -2,-0.2 0.837 99.7 64.6 -62.8 -33.6 36.2 7.7 25.0 11 15 A A H < S+ 0 0 65 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.867 110.3 38.1 -55.6 -38.4 33.0 7.8 27.1 12 16 A Y H >< S+ 0 0 28 -4,-0.9 3,-1.9 -3,-0.4 -2,-0.2 0.920 114.0 53.0 -76.9 -48.1 31.7 10.5 24.8 13 17 A L H 3< S+ 0 0 13 -4,-2.3 3,-0.3 1,-0.3 -2,-0.2 0.827 116.0 41.5 -56.8 -33.3 33.1 9.0 21.6 14 18 A N T 3< S+ 0 0 120 -4,-2.5 -1,-0.3 1,-0.2 -2,-0.2 0.275 80.0 119.2 -94.8 10.1 31.4 5.7 22.5 15 19 A R < - 0 0 141 -3,-1.9 -1,-0.2 1,-0.1 -2,-0.1 0.701 64.8-140.6 -64.3 -27.9 28.1 7.3 23.7 16 20 A G S S+ 0 0 49 -3,-0.3 -1,-0.1 -4,-0.2 -3,-0.0 -0.073 84.4 69.2 103.0 -31.1 25.8 5.7 21.1 17 21 A D + 0 0 109 4,-0.0 2,-0.6 5,-0.0 3,-0.1 -0.030 67.7 103.5-110.7 26.4 23.5 8.6 20.3 18 22 A I >> - 0 0 9 1,-0.2 3,-2.1 -5,-0.1 4,-2.0 -0.943 57.7-154.8-113.0 112.8 25.8 10.9 18.4 19 23 A A H 3> S+ 0 0 53 -2,-0.6 4,-2.5 1,-0.3 -1,-0.2 0.845 93.2 61.3 -51.5 -42.0 25.1 10.7 14.6 20 24 A E H 34 S+ 0 0 63 1,-0.2 -1,-0.3 2,-0.2 109,-0.1 0.731 112.6 39.1 -58.5 -25.9 28.7 11.8 13.8 21 25 A F H <4 S+ 0 0 35 -3,-2.1 -2,-0.2 1,-0.1 -1,-0.2 0.833 118.7 42.0 -94.8 -39.1 29.9 8.7 15.6 22 26 A K H < S+ 0 0 142 -4,-2.0 2,-0.3 2,-0.0 -2,-0.2 0.790 111.5 53.7 -86.2 -23.9 27.3 6.0 14.6 23 27 A F < - 0 0 60 -4,-2.5 217,-0.0 -5,-0.2 -5,-0.0 -0.779 59.8-167.5-112.1 155.6 27.0 6.9 10.8 24 28 A S - 0 0 32 -2,-0.3 5,-0.1 1,-0.2 215,-0.1 -0.886 37.2 -76.9-131.8 160.9 29.4 7.3 8.0 25 29 A P > - 0 0 29 0, 0.0 4,-2.5 0, 0.0 5,-0.2 -0.003 53.5 -94.6 -57.7 169.3 29.2 8.8 4.5 26 30 A L H > S+ 0 0 0 2,-0.2 4,-2.7 1,-0.2 5,-0.3 0.864 117.0 43.9 -60.8 -53.7 27.5 6.8 1.6 27 31 A F H >>S+ 0 0 0 2,-0.2 4,-2.7 1,-0.2 5,-0.7 0.923 116.2 50.4 -62.4 -40.5 30.4 5.0 -0.2 28 32 A T H >5S+ 0 0 9 1,-0.2 4,-1.8 3,-0.2 -2,-0.2 0.942 114.1 45.2 -57.6 -47.8 31.9 4.0 3.1 29 33 A T H <5S+ 0 0 47 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.869 120.5 37.0 -66.6 -41.9 28.5 2.7 4.3 30 34 A L H <5S+ 0 0 7 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.922 134.7 16.6 -76.3 -43.5 27.6 0.8 1.1 31 35 A F H <5S+ 0 0 1 -4,-2.7 256,-2.7 -5,-0.3 305,-0.4 0.541 133.4 31.9-117.4 -13.2 30.9 -0.6 0.1 32 36 A F S < -C 77 0B 53 -2,-0.5 3,-1.8 33,-0.2 33,-0.2 -0.826 11.7-178.6-107.5 92.0 48.6 -6.5 7.2 45 49 A L G > S+ 0 0 0 31,-2.9 3,-1.5 -2,-0.8 -1,-0.2 0.780 75.1 66.5 -69.7 -31.4 45.9 -7.6 4.7 46 50 A D G 3 S+ 0 0 91 30,-0.3 -1,-0.3 1,-0.3 31,-0.1 0.556 95.1 61.2 -59.7 -17.1 47.1 -11.3 4.6 47 51 A T G < S+ 0 0 87 -3,-1.8 -1,-0.3 29,-0.2 2,-0.2 0.363 74.0 122.1 -94.6 4.4 46.0 -11.6 8.3 48 52 A L < - 0 0 25 -3,-1.5 5,-0.0 1,-0.1 -12,-0.0 -0.477 57.6-144.6 -77.4 138.2 42.3 -10.9 7.8 49 53 A D S S+ 0 0 142 -2,-0.2 2,-0.6 2,-0.0 -1,-0.1 0.881 85.7 77.3 -65.2 -40.4 39.8 -13.6 8.9 50 54 A I > - 0 0 64 1,-0.2 3,-0.6 2,-0.0 -2,-0.1 -0.618 62.9-169.1 -72.3 116.9 37.5 -12.8 6.0 51 55 A E T 3 S+ 0 0 178 -2,-0.6 -1,-0.2 1,-0.2 4,-0.1 0.699 74.2 74.8 -76.6 -21.1 38.9 -14.3 2.8 52 56 A E T 3 S+ 0 0 112 2,-0.1 2,-0.2 3,-0.0 -1,-0.2 0.384 79.2 82.0 -85.1 3.4 36.5 -12.4 0.5 53 57 A V S < S- 0 0 11 -3,-0.6 283,-0.3 -8,-0.1 2,-0.2 -0.634 95.4 -82.9 -99.7 166.0 38.1 -9.0 0.7 54 58 A T - 0 0 34 281,-2.4 -1,-0.1 -2,-0.2 283,-0.1 -0.459 38.7-171.4 -69.6 132.9 41.2 -7.8 -1.3 55 59 A M + 0 0 59 -2,-0.2 2,-0.3 1,-0.1 -9,-0.2 0.403 61.6 31.2-118.0 5.9 44.5 -8.9 0.2 56 60 A S - 0 0 47 -11,-0.1 2,-0.3 103,-0.1 20,-0.2 -0.983 56.3-167.9-150.0 162.2 47.1 -7.1 -1.8 57 61 A A E -D 75 0C 0 18,-2.2 18,-2.6 -2,-0.3 2,-0.8 -0.961 31.9-110.1-141.5 157.2 47.5 -3.8 -3.7 58 62 A F E -DE 74 158C 32 100,-2.3 100,-1.9 -2,-0.3 2,-0.5 -0.834 38.9-165.6 -91.8 112.4 50.1 -2.5 -6.1 59 63 A C E -DE 73 157C 11 14,-2.4 14,-1.7 -2,-0.8 98,-0.2 -0.874 8.3-178.4-109.8 129.1 51.9 0.2 -4.2 60 64 A S E - E 0 156C 2 96,-2.1 96,-2.7 -2,-0.5 12,-0.2 -0.980 23.8-124.3-128.3 138.9 54.2 2.7 -6.0 61 65 A P E - E 0 155C 49 0, 0.0 7,-3.2 0, 0.0 2,-0.3 -0.286 26.6-142.3 -74.2 168.8 56.3 5.6 -4.8 62 66 A M E -G 67 0D 24 92,-0.9 2,-0.5 5,-0.2 5,-0.2 -0.936 13.5-157.5-130.7 149.0 55.8 9.1 -6.1 63 67 A V E > S-G 66 0D 95 3,-2.5 3,-2.0 -2,-0.3 2,-0.3 -0.956 78.5 -44.7-124.5 105.7 58.1 11.9 -7.0 64 68 A G T 3 S- 0 0 57 -2,-0.5 -2,-0.0 1,-0.3 90,-0.0 -0.550 124.6 -25.2 68.9-128.8 56.0 15.1 -6.8 65 69 A S T 3 S+ 0 0 103 -2,-0.3 2,-0.6 -3,-0.1 -1,-0.3 0.323 117.0 107.4 -92.3 5.3 52.8 14.3 -8.6 66 70 A Q E < -G 63 0D 126 -3,-2.0 -3,-2.5 2,-0.0 2,-0.5 -0.754 63.3-143.9 -92.0 122.0 54.6 11.6 -10.7 67 71 A V E -G 62 0D 38 -2,-0.6 2,-1.3 -5,-0.2 -5,-0.2 -0.725 7.1-146.5 -80.3 126.1 53.8 7.9 -9.9 68 72 A Q > + 0 0 55 -7,-3.2 3,-1.6 -2,-0.5 -1,-0.1 -0.650 26.6 171.1 -91.1 78.0 56.9 5.7 -10.3 69 73 A R G > S+ 0 0 79 -2,-1.3 3,-1.2 1,-0.3 -1,-0.2 0.718 71.4 64.0 -67.2 -22.7 55.1 2.6 -11.4 70 74 A D G 3 S+ 0 0 169 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.740 104.4 49.3 -71.4 -21.6 58.4 0.8 -12.3 71 75 A K G < S+ 0 0 140 -3,-1.6 -1,-0.2 -10,-0.2 -2,-0.2 0.249 94.1 103.2 -96.5 10.7 59.1 1.0 -8.6 72 76 A G < + 0 0 14 -3,-1.2 2,-0.3 -12,-0.2 -12,-0.3 -0.546 45.0 176.1 -91.0 159.3 55.7 -0.4 -7.6 73 77 A Y E -D 59 0C 146 -14,-1.7 -14,-2.4 -2,-0.2 2,-0.4 -0.983 37.2 -95.5-157.4 151.0 55.0 -3.9 -6.4 74 78 A E E +D 58 0C 91 -2,-0.3 2,-0.3 -16,-0.3 -16,-0.2 -0.625 51.9 167.5 -69.1 127.3 52.1 -6.0 -5.1 75 79 A T E -D 57 0C 22 -18,-2.6 -18,-2.2 -2,-0.4 -2,-0.0 -0.991 42.2-152.8-143.2 146.9 52.1 -6.1 -1.3 76 80 A S S S+ 0 0 37 -2,-0.3 -31,-2.9 -20,-0.2 2,-0.6 0.441 82.2 87.6 -93.9 -3.8 49.8 -7.2 1.5 77 81 A T E -C 44 0B 56 -33,-0.2 2,-0.4 -20,-0.1 -33,-0.2 -0.886 61.1-176.2 -96.6 117.1 51.4 -4.6 3.7 78 82 A I E -C 43 0B 1 -35,-2.6 -35,-2.7 -2,-0.6 79,-0.0 -0.958 19.6-144.8-117.2 128.8 49.8 -1.2 3.4 79 83 A K - 0 0 32 -2,-0.4 -37,-0.1 -37,-0.2 2,-0.1 -0.824 24.5-143.6 -91.7 112.2 51.0 1.9 5.2 80 84 A P - 0 0 0 0, 0.0 2,-0.6 0, 0.0 252,-0.1 -0.406 21.6-101.7 -74.3 156.3 47.9 4.0 6.1 81 85 A G - 0 0 12 250,-0.5 2,-0.4 68,-0.1 68,-0.2 -0.700 41.2-136.9 -72.2 115.5 47.8 7.8 6.1 82 86 A Y - 0 0 18 -2,-0.6 68,-1.2 68,-0.3 2,-0.4 -0.655 22.5-167.0 -82.0 129.9 48.1 8.8 9.7 83 87 A M B +H 329 0E 27 246,-3.2 246,-2.4 -2,-0.4 66,-0.0 -0.915 23.7 160.1-119.4 142.8 45.8 11.6 10.8 84 88 A K - 0 0 74 -2,-0.4 244,-0.2 244,-0.2 -2,-0.0 -0.204 15.2-179.3-155.6 59.8 45.8 13.7 14.0 85 89 A P - 0 0 39 0, 0.0 242,-2.0 0, 0.0 2,-0.3 -0.312 9.9-171.5 -62.5 140.5 43.8 16.9 13.6 86 90 A K E -I 326 0F 97 240,-0.2 2,-0.3 238,-0.0 240,-0.2 -0.923 10.8-163.7-131.2 161.0 43.7 19.1 16.6 87 91 A H E -I 325 0F 62 238,-2.3 238,-2.0 -2,-0.3 2,-0.2 -0.989 25.8-111.5-140.9 147.1 41.8 22.2 17.6 88 92 A E E -I 324 0F 97 -2,-0.3 2,-0.9 236,-0.2 236,-0.3 -0.513 23.8-133.9 -72.9 143.0 42.3 24.8 20.3 89 93 A I - 0 0 3 234,-2.7 234,-0.4 -2,-0.2 28,-0.1 -0.879 28.0-175.8-100.6 98.3 39.7 24.9 23.2 90 94 A D > - 0 0 47 -2,-0.9 3,-1.9 1,-0.1 232,-0.0 -0.841 14.8-167.7-103.2 102.5 38.9 28.6 23.4 91 95 A P T 3 S+ 0 0 74 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.552 80.6 73.7 -71.8 -2.8 36.5 29.3 26.3 92 96 A T T 3 S+ 0 0 94 2,-0.1 3,-0.0 0, 0.0 -2,-0.0 0.526 74.1 110.6 -82.3 -6.7 35.9 32.8 25.1 93 97 A K S < S- 0 0 126 -3,-1.9 2,-0.5 1,-0.1 23,-0.0 -0.325 78.6-112.7 -62.9 148.5 33.8 31.5 22.2 94 98 A T - 0 0 142 1,-0.0 2,-0.5 -2,-0.0 -1,-0.1 -0.753 34.7-138.9 -75.7 123.4 30.0 32.1 22.2 95 99 A I - 0 0 23 -2,-0.5 2,-0.4 11,-0.1 11,-0.0 -0.798 7.7-137.1 -94.3 122.2 28.5 28.7 22.7 96 100 A M - 0 0 153 -2,-0.5 2,-0.4 1,-0.0 -1,-0.0 -0.658 19.6-151.9 -75.2 123.1 25.4 28.0 20.6 97 101 A R - 0 0 131 -2,-0.4 2,-0.1 4,-0.1 3,-0.1 -0.845 18.3-113.6 -98.4 143.4 22.7 26.2 22.5 98 102 A M - 0 0 85 -2,-0.4 2,-0.1 1,-0.2 -1,-0.0 -0.450 25.5 -84.9 -76.4 144.9 20.3 23.9 21.0 99 103 A A S S+ 0 0 98 1,-0.2 -1,-0.2 -2,-0.1 0, 0.0 -0.147 114.8 14.3 46.0 65.3 17.2 23.4 20.3 100 104 A G S S+ 0 0 80 1,-0.2 2,-0.3 -2,-0.1 -1,-0.2 0.958 96.8 128.6 73.8 84.8 15.8 21.9 23.5 101 105 A E - 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0 0 27 -4,-2.9 35,-0.5 -8,-0.1 36,-0.2 -0.494 56.8-145.1 -77.6 137.6 15.8 7.4 -26.5 184 188 A Y > - 0 0 108 -2,-0.2 3,-1.4 1,-0.1 4,-0.5 -0.857 13.3-173.4 -98.9 95.9 15.7 4.6 -23.9 185 189 A P T >> S+ 0 0 3 0, 0.0 4,-2.0 0, 0.0 3,-0.7 0.731 74.7 76.8 -65.7 -20.1 18.6 5.4 -21.5 186 190 A I H 3> S+ 0 0 41 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.808 88.9 57.9 -54.8 -32.4 18.1 2.0 -19.7 187 191 A Y H <> S+ 0 0 155 -3,-1.4 4,-1.7 2,-0.2 -1,-0.2 0.810 106.1 47.7 -76.8 -26.2 19.8 0.2 -22.6 188 192 A D H <> S+ 0 0 10 -3,-0.7 4,-2.7 -4,-0.5 -1,-0.2 0.905 111.4 50.6 -70.9 -44.0 22.9 2.3 -22.1 189 193 A I H X S+ 0 0 6 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.924 110.4 49.9 -60.5 -43.2 22.8 1.7 -18.3 190 194 A E H X S+ 0 0 112 -4,-2.6 4,-1.6 1,-0.2 -1,-0.2 0.914 109.5 52.1 -58.8 -46.0 22.5 -2.1 -19.1 191 195 A L H X S+ 0 0 103 -4,-1.7 4,-0.5 2,-0.2 -2,-0.2 0.906 111.3 46.0 -55.7 -45.8 25.5 -1.7 -21.4 192 196 A Y H >< S+ 0 0 21 -4,-2.7 3,-1.2 1,-0.2 4,-0.3 0.910 109.0 55.7 -64.9 -41.7 27.6 -0.1 -18.7 193 197 A A H >< S+ 0 0 17 -4,-2.7 3,-1.5 1,-0.3 4,-0.4 0.771 91.0 73.4 -64.1 -27.7 26.5 -2.7 -16.1 194 198 A D H >< S+ 0 0 98 -4,-1.6 3,-1.3 1,-0.3 -1,-0.3 0.847 88.0 63.9 -50.2 -37.7 27.8 -5.5 -18.4 195 199 A Q T << S+ 0 0 59 -3,-1.2 -1,-0.3 -4,-0.5 -2,-0.2 0.752 87.8 67.5 -64.9 -22.7 31.3 -4.4 -17.5 196 200 A A T < S- 0 0 10 -3,-1.5 -1,-0.2 -4,-0.3 -2,-0.2 0.745 93.7-140.9 -66.9 -22.7 30.8 -5.3 -13.8 197 201 A G S < S+ 0 0 73 -3,-1.3 -3,-0.1 -4,-0.4 -2,-0.1 0.468 78.7 55.5 74.5 1.4 30.6 -9.0 -14.7 198 202 A C S S- 0 0 39 -5,-0.4 -2,-0.2 142,-0.0 -1,-0.2 -0.915 103.8 -66.5-154.5 166.2 27.8 -9.4 -12.1 199 203 A P - 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0 0 0 -3,-1.2 4,-2.1 -4,-0.5 3,-1.1 -0.754 65.5-154.1 -83.9 113.7 14.4 11.4 -20.9 217 221 A K H 3> S+ 0 0 85 -37,-2.1 4,-1.8 -2,-0.7 -1,-0.2 0.829 97.5 56.1 -45.8 -39.6 10.7 10.8 -21.3 218 222 A K H 3> S+ 0 0 35 -38,-0.5 4,-0.6 -35,-0.5 -1,-0.3 0.760 105.0 50.6 -76.2 -24.5 11.5 7.1 -21.5 219 223 A F H X> S+ 0 0 4 -3,-1.1 4,-2.2 -6,-0.2 3,-1.1 0.928 108.5 53.0 -68.9 -46.3 13.3 7.1 -18.2 220 224 A R H 3< S+ 0 0 155 -4,-2.1 -2,-0.2 1,-0.3 -3,-0.1 0.838 104.5 55.4 -56.8 -39.2 10.2 8.9 -16.6 221 225 A E H 3< S+ 0 0 116 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.738 118.4 33.7 -66.1 -26.2 7.8 6.2 -17.9 222 226 A L H << S+ 0 0 86 -3,-1.1 29,-0.3 -4,-0.6 -2,-0.2 0.600 89.8 115.9-102.0 -19.7 10.0 3.4 -16.1 223 227 A Y < - 0 0 62 -4,-2.2 2,-0.8 27,-0.1 27,-0.2 -0.361 51.9-158.0 -57.8 120.8 11.0 5.5 -13.1 224 228 A D B -N 249 0G 82 25,-2.1 25,-2.2 -2,-0.2 -1,-0.1 -0.822 13.4-177.9-110.5 90.6 9.6 3.9 -10.0 225 229 A L + 0 0 108 -2,-0.8 -1,-0.1 23,-0.2 -2,-0.0 0.696 51.3 109.4 -56.4 -25.2 9.4 6.6 -7.2 226 230 A S + 0 0 83 23,-0.1 2,-0.3 -3,-0.1 23,-0.2 -0.258 39.8 142.2 -59.8 139.8 8.0 4.0 -4.8 227 231 A R + 0 0 109 21,-0.1 -2,-0.0 19,-0.0 22,-0.0 -0.971 24.7 178.4-165.6 163.7 10.3 2.8 -2.0 228 232 A G S S- 0 0 40 -2,-0.3 7,-0.1 3,-0.0 -2,-0.0 -0.136 70.4 -68.7-175.4 79.7 10.3 1.8 1.7 229 233 A S S S+ 0 0 49 1,-0.2 6,-0.1 5,-0.1 -2,-0.0 0.703 89.8 137.7 44.1 26.8 13.5 0.6 3.5 230 234 A E + 0 0 167 4,-0.0 2,-0.3 2,-0.0 -1,-0.2 0.522 58.8 35.4 -83.8 -9.5 13.1 -2.4 1.2 231 235 A S S > S- 0 0 31 1,-0.1 4,-2.6 0, 0.0 5,-0.2 -0.944 79.9-114.8-140.6 157.7 16.8 -2.6 0.3 232 236 A A H > S+ 0 0 52 -2,-0.3 4,-2.4 2,-0.2 5,-0.1 0.864 118.9 57.1 -54.8 -40.2 20.3 -2.2 1.9 233 237 A A H > S+ 0 0 2 2,-0.2 4,-0.7 1,-0.2 -1,-0.2 0.943 110.3 43.1 -56.4 -48.1 20.7 0.7 -0.7 234 238 A E H >> S+ 0 0 12 1,-0.2 3,-0.8 2,-0.2 4,-0.8 0.904 112.0 52.0 -68.1 -47.0 17.6 2.4 0.7 235 239 A L H >< S+ 0 0 94 -4,-2.6 3,-0.8 1,-0.2 4,-0.5 0.895 103.6 59.7 -52.6 -45.3 18.5 1.8 4.4 236 240 A A H 3< S+ 0 0 13 -4,-2.4 3,-0.3 1,-0.2 -1,-0.2 0.770 104.6 50.6 -57.8 -26.9 21.9 3.3 3.8 237 241 A C H X< S+ 0 0 10 -3,-0.8 3,-1.8 -4,-0.7 -1,-0.2 0.672 84.8 84.2 -85.4 -21.1 20.4 6.7 2.8 238 242 A K T << S+ 0 0 149 -3,-0.8 3,-0.4 -4,-0.8 -1,-0.2 0.818 98.6 39.3 -58.7 -31.2 18.0 7.2 5.7 239 243 A N T 3 S+ 0 0 93 -4,-0.5 -1,-0.3 -3,-0.3 3,-0.1 0.398 109.9 61.6 -98.0 8.5 20.7 8.8 7.9 240 244 A L X> + 0 0 20 -3,-1.8 4,-2.1 1,-0.1 3,-1.9 -0.045 57.1 130.4-124.1 27.0 22.4 10.7 5.0 241 245 A G T 34 + 0 0 65 -3,-0.4 -1,-0.1 1,-0.3 -3,-0.1 0.573 64.6 68.8 -63.6 -11.3 19.6 13.1 4.0 242 246 A E T 34 S+ 0 0 192 -3,-0.1 -1,-0.3 1,-0.1 -2,-0.1 0.780 122.4 9.3 -72.2 -28.7 21.9 16.1 4.2 243 247 A V T <4 S+ 0 0 51 -3,-1.9 16,-3.3 1,-0.1 17,-0.3 0.483 121.7 60.1-129.2 -7.6 23.9 14.9 1.1 244 248 A V E < - O 0 258G 10 -4,-2.1 2,-0.4 14,-0.2 14,-0.2 -0.938 53.5-164.2-133.6 142.0 22.1 11.9 -0.5 245 249 A S E - O 0 257G 46 12,-2.4 12,-2.7 -2,-0.3 2,-0.5 -0.985 13.9-144.9-132.5 123.7 18.6 11.5 -2.0 246 250 A F E - O 0 256G 15 -2,-0.4 10,-0.2 10,-0.2 3,-0.1 -0.770 18.8-179.4 -85.2 124.6 17.0 8.1 -2.6 247 251 A K E - 0 0 46 8,-3.1 2,-0.3 -2,-0.5 9,-0.2 0.671 39.2-102.6-101.7 -24.2 15.0 8.4 -5.8 248 252 A G E - O 0 255G 0 7,-0.9 7,-2.7 -25,-0.0 -1,-0.3 -0.963 46.9 -51.7 132.8-153.6 13.4 5.0 -6.3 249 253 A Y E -NO 224 254G 34 -25,-2.2 -25,-2.1 -2,-0.3 2,-0.4 -0.903 15.9-158.6-131.7 151.7 14.1 2.0 -8.5 250 254 A L E > S- O 0 253G 12 3,-2.3 3,-1.2 -2,-0.3 2,-0.5 -0.843 82.3 -56.3-124.0 85.6 14.6 1.1 -12.1 251 255 A G T 3 S- 0 0 70 -2,-0.4 -27,-0.0 -29,-0.3 0, 0.0 -0.663 123.0 -18.1 72.3-124.2 13.8 -2.6 -12.0 252 256 A D T 3 S+ 0 0 129 -2,-0.5 2,-0.6 -3,-0.1 -1,-0.2 0.245 116.6 105.3 -97.1 15.1 16.1 -4.0 -9.4 253 257 A L E < - O 0 250G 14 -3,-1.2 -3,-2.3 -51,-0.1 -51,-0.2 -0.849 64.2-143.6-101.4 114.5 18.5 -1.0 -9.6 254 258 A A E -lO 202 249G 1 -53,-2.2 -51,-3.0 -2,-0.6 2,-0.5 -0.568 13.9-139.9 -77.6 144.3 18.3 1.4 -6.7 255 259 A L E +lO 203 248G 0 -7,-2.7 -8,-3.1 -2,-0.2 -7,-0.9 -0.930 25.0 171.7-118.3 117.9 18.7 5.1 -7.6 256 260 A I E -lO 204 246G 0 -53,-2.5 -51,-2.7 -2,-0.5 2,-0.5 -0.992 20.7-154.7-129.8 125.7 20.7 7.4 -5.4 257 261 A V E -lO 205 245G 9 -12,-2.7 -12,-2.4 -2,-0.4 2,-0.5 -0.925 18.3-161.4 -98.1 128.0 21.7 11.0 -6.1 258 262 A Y E + O 0 244G 4 -53,-2.9 -51,-0.2 -2,-0.5 -14,-0.2 -0.951 24.7 162.7-122.3 121.2 24.8 11.9 -4.2 259 263 A S + 0 0 43 -16,-3.3 -15,-0.2 -2,-0.5 -1,-0.1 0.121 22.2 149.8-126.5 17.5 25.9 15.5 -3.6 260 264 A G - 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