==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-MAR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 15-JUN-10 3NIB . COMPND 2 MOLECULE: TEG14; . SOURCE 2 ORGANISM_SCIENTIFIC: UNCULTURED SOIL BACTERIUM; . AUTHOR M.J.BICK,J.J.BANIK,S.A.DARST,S.F.BRADY . 238 4 1 0 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10779.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 170 71.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 26 10.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 7 2.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 100 42.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 2.5 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 0 2 1 2 0 2 0 2 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 0 0 3 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 . 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 0 ANTIPARALLEL BRIDGES PER LADDER . 0 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 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 S 0 0 60 0, 0.0 3,-0.1 0, 0.0 149,-0.1 0.000 360.0 360.0 360.0-177.3 34.6 -18.6 -22.1 2 1 A M + 0 0 87 1,-0.2 2,-0.2 174,-0.1 82,-0.1 0.798 360.0 45.4-106.2 -56.1 35.1 -19.4 -18.4 3 2 A N S S+ 0 0 82 59,-0.1 2,-0.2 58,-0.1 -1,-0.2 -0.615 91.5 62.9 -81.1 151.7 32.1 -21.5 -17.5 4 3 A G E S-a 62 0A 3 57,-1.4 59,-2.2 -2,-0.2 2,-0.3 -0.656 83.2 -32.1 127.4 179.4 31.2 -24.3 -19.9 5 4 A I E -ab 63 83A 0 77,-2.5 79,-2.2 -2,-0.2 80,-2.0 -0.542 36.1-162.9 -81.1 132.4 32.3 -27.5 -21.5 6 5 A R E -ab 64 85A 0 57,-3.8 59,-2.9 -2,-0.3 2,-0.5 -0.967 15.7-153.1-106.0 113.1 35.9 -28.4 -22.3 7 6 A W E -ab 65 86A 0 78,-2.1 80,-2.6 -2,-0.6 2,-0.8 -0.754 10.8-162.7 -85.3 127.8 36.0 -31.2 -24.8 8 7 A I E +ab 66 87A 1 57,-3.2 59,-1.6 -2,-0.5 2,-0.3 -0.874 32.3 176.9-100.4 92.7 39.1 -33.4 -24.7 9 8 A A E +ab 67 88A 1 78,-2.8 80,-2.4 -2,-0.8 2,-0.3 -0.744 12.5 127.7-106.8 149.4 38.4 -34.9 -28.1 10 9 A S E - b 0 89A 0 57,-1.4 80,-0.1 -2,-0.3 3,-0.1 -0.951 57.9 -82.6-176.3 164.8 40.4 -37.4 -30.2 11 10 A Y S > S- 0 0 1 78,-0.6 3,-1.3 -2,-0.3 5,-0.3 -0.492 72.9 -76.3 -69.5 153.3 40.4 -40.6 -32.2 12 11 A P T 3 S+ 0 0 19 0, 0.0 -1,-0.1 0, 0.0 88,-0.1 -0.219 118.2 15.9 -52.5 142.8 40.8 -43.6 -29.8 13 12 A K T 3 S+ 0 0 100 1,-0.1 86,-0.1 -3,-0.1 -2,-0.0 0.675 86.2 125.7 68.7 19.5 44.4 -44.2 -28.6 14 13 A A S < S- 0 0 1 -3,-1.3 142,-0.2 75,-0.1 -1,-0.1 0.179 95.7 -80.7 -96.2 18.3 45.5 -40.7 -29.7 15 14 A G S > S+ 0 0 8 -5,-0.1 4,-2.1 74,-0.1 5,-0.2 0.265 93.4 128.4 103.9 -9.6 46.9 -39.7 -26.3 16 15 A N H > S+ 0 0 2 -5,-0.3 4,-1.9 1,-0.2 5,-0.1 0.849 73.2 47.1 -43.4 -51.0 43.5 -38.8 -24.7 17 16 A T H > S+ 0 0 38 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.938 109.3 52.3 -61.9 -50.9 44.0 -41.0 -21.6 18 17 A W H > S+ 0 0 42 1,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.868 110.9 49.4 -54.7 -39.2 47.6 -39.9 -20.9 19 18 A L H X S+ 0 0 0 -4,-2.1 4,-2.7 2,-0.2 -1,-0.3 0.887 106.9 54.5 -67.3 -38.9 46.3 -36.3 -21.0 20 19 A R H X S+ 0 0 6 -4,-1.9 4,-1.8 -5,-0.2 -2,-0.2 0.814 107.4 51.9 -67.4 -29.2 43.4 -37.2 -18.6 21 20 A a H X S+ 0 0 0 -4,-2.0 4,-2.7 2,-0.2 -1,-0.2 0.945 111.0 46.1 -67.5 -49.8 46.0 -38.5 -16.2 22 21 A M H X S+ 0 0 0 -4,-2.0 4,-2.9 1,-0.2 -2,-0.2 0.878 113.2 49.7 -62.2 -37.7 48.0 -35.3 -16.4 23 22 A L H X S+ 0 0 0 -4,-2.7 4,-2.2 2,-0.2 5,-0.3 0.890 110.8 50.2 -68.5 -38.3 44.9 -33.2 -16.0 24 23 A A H X>S+ 0 0 1 -4,-1.8 4,-2.9 -5,-0.2 5,-0.5 0.939 115.1 42.9 -63.3 -46.6 43.8 -35.3 -13.0 25 24 A A H X5S+ 0 0 0 -4,-2.7 4,-1.6 2,-0.2 -2,-0.2 0.906 113.2 51.5 -67.9 -43.1 47.2 -34.9 -11.3 26 25 A Y H <5S+ 0 0 28 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 0.931 120.4 34.8 -57.7 -44.7 47.5 -31.2 -12.2 27 26 A I H <5S+ 0 0 78 -4,-2.2 -2,-0.2 -5,-0.2 -3,-0.2 0.937 123.1 38.2 -82.0 -49.1 44.1 -30.4 -10.7 28 27 A T H <5S- 0 0 62 -4,-2.9 -3,-0.2 -5,-0.3 -2,-0.1 0.870 98.3-130.0 -71.7 -35.1 43.7 -32.8 -7.8 29 28 A G S < S- 0 0 44 1,-0.1 4,-0.8 170,-0.0 -1,-0.1 -0.726 85.1 -97.6-131.6-174.9 42.9 -45.9 -10.6 35 34 A W H >> S+ 0 0 98 -2,-0.2 4,-1.6 2,-0.2 3,-0.6 0.870 118.6 66.0 -74.6 -37.8 40.6 -44.7 -13.5 36 35 A K H 3> S+ 0 0 70 1,-0.3 4,-1.0 2,-0.2 3,-0.4 0.899 95.5 60.4 -47.6 -43.7 37.9 -43.6 -11.0 37 36 A D H >> S+ 0 0 61 1,-0.3 3,-1.1 2,-0.2 4,-0.6 0.917 103.0 48.7 -49.7 -50.3 40.5 -41.0 -9.9 38 37 A M H XX S+ 0 0 1 -4,-0.8 4,-3.0 -3,-0.6 3,-1.1 0.823 100.3 65.4 -62.0 -32.2 40.6 -39.5 -13.3 39 38 A E H 3< S+ 0 0 48 -4,-1.6 -1,-0.3 -3,-0.4 -2,-0.2 0.770 90.3 68.0 -63.8 -25.3 36.8 -39.3 -13.4 40 39 A T H << S+ 0 0 107 -3,-1.1 -1,-0.3 -4,-1.0 -2,-0.2 0.900 114.2 26.4 -53.3 -43.8 37.1 -36.9 -10.6 41 40 A V H << S+ 0 0 21 -3,-1.1 23,-0.5 -4,-0.6 2,-0.4 0.849 131.8 20.5 -95.5 -41.2 38.7 -34.4 -13.0 42 41 A S E < -c 64 0A 0 -4,-3.0 -1,-0.3 -22,-0.1 23,-0.2 -0.994 66.9-139.2-137.8 143.9 37.3 -35.4 -16.4 43 42 A L E -c 65 0A 55 21,-2.9 23,-3.9 -2,-0.4 2,-0.6 -0.540 13.8-130.3 -94.4 158.4 34.3 -37.4 -17.6 44 43 A E E > -c 66 0A 64 21,-0.2 4,-2.7 -2,-0.2 5,-0.2 -0.943 12.1-157.0-108.1 111.9 33.9 -39.9 -20.4 45 44 A L H > S+ 0 0 0 21,-2.8 4,-2.9 -2,-0.6 5,-0.3 0.908 94.4 49.8 -53.3 -48.6 31.0 -39.0 -22.6 46 45 A E H > S+ 0 0 50 20,-0.3 4,-1.9 1,-0.2 -1,-0.2 0.884 111.5 50.4 -58.8 -40.2 30.6 -42.6 -23.9 47 46 A G H > S+ 0 0 31 2,-0.2 4,-0.9 1,-0.2 6,-0.2 0.942 111.8 46.1 -63.4 -49.6 30.7 -43.9 -20.4 48 47 A M H ><>S+ 0 0 23 -4,-2.7 5,-2.7 1,-0.2 3,-2.0 0.972 113.6 48.4 -56.5 -57.0 28.0 -41.5 -19.1 49 48 A L H ><5S+ 0 0 65 -4,-2.9 3,-2.0 1,-0.3 -1,-0.2 0.831 101.4 65.1 -53.5 -35.8 25.8 -42.2 -22.1 50 49 A H H 3<5S+ 0 0 160 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.825 108.9 40.5 -56.9 -28.8 26.3 -45.9 -21.5 51 50 A L T <<5S- 0 0 127 -3,-2.0 -1,-0.3 -4,-0.9 -2,-0.2 0.231 123.1-103.0-103.8 11.1 24.5 -45.3 -18.2 52 51 A G T < 5S+ 0 0 73 -3,-2.0 -3,-0.2 1,-0.3 2,-0.2 0.613 86.2 127.1 72.5 10.7 21.9 -42.9 -19.6 53 52 A D < + 0 0 91 -5,-2.7 -1,-0.3 -6,-0.2 -2,-0.1 -0.561 35.5 180.0 -92.4 165.2 23.9 -40.2 -18.0 54 53 A M - 0 0 71 -2,-0.2 3,-0.1 -6,-0.1 -9,-0.0 -0.976 32.2 -91.7-159.0 155.3 25.1 -37.1 -19.8 55 54 A P - 0 0 3 0, 0.0 2,-0.2 0, 0.0 -50,-0.0 -0.261 60.2 -77.9 -66.4 160.7 27.1 -33.9 -19.0 56 55 A P - 0 0 58 0, 0.0 -51,-0.1 0, 0.0 7,-0.0 -0.440 30.9-158.2 -64.6 125.4 25.3 -30.7 -18.0 57 56 A T S S+ 0 0 79 1,-0.3 25,-0.1 -2,-0.2 -52,-0.1 0.683 96.2 35.8 -76.9 -19.4 23.7 -28.9 -20.9 58 57 A E S S- 0 0 80 -54,-0.1 2,-0.3 23,-0.0 -1,-0.3 -0.748 88.5-166.9-133.1 87.0 23.8 -25.7 -18.8 59 58 A P - 0 0 22 0, 0.0 4,-0.1 0, 0.0 -54,-0.0 -0.592 21.1-163.9 -84.8 129.4 27.0 -25.9 -16.7 60 59 A T S S+ 0 0 129 -2,-0.3 -57,-0.0 -57,-0.1 3,-0.0 0.398 80.0 28.8 -88.3 1.3 27.6 -23.6 -13.8 61 60 A K S S- 0 0 40 -58,-0.0 -57,-1.4 -59,-0.0 2,-0.2 -0.903 101.8 -73.2-148.5 170.8 31.3 -24.4 -13.8 62 61 A P E -a 4 0A 42 0, 0.0 2,-0.4 0, 0.0 -57,-0.2 -0.575 50.9-164.8 -68.2 138.9 34.1 -25.5 -16.2 63 62 A V E -a 5 0A 26 -59,-2.2 -57,-3.8 -2,-0.2 2,-0.6 -0.979 11.9-150.6-135.7 122.2 33.6 -29.1 -17.1 64 63 A L E +ac 6 42A 8 -23,-0.5 -21,-2.9 -2,-0.4 2,-0.4 -0.805 21.1 175.2 -94.0 118.8 36.1 -31.5 -18.8 65 64 A V E -ac 7 43A 0 -59,-2.9 -57,-3.2 -2,-0.6 2,-0.3 -0.984 17.1-151.1-125.7 130.3 34.6 -34.2 -20.9 66 65 A K E +ac 8 44A 4 -23,-3.9 -21,-2.8 -2,-0.4 -20,-0.3 -0.714 24.4 160.8 -90.7 147.9 36.5 -36.8 -23.1 67 66 A T E -a 9 0A 0 -59,-1.6 -57,-1.4 -2,-0.3 -2,-0.0 -0.968 35.6-163.2-160.0 155.2 35.0 -38.2 -26.2 68 67 A H + 0 0 37 -2,-0.3 3,-0.1 -59,-0.2 -59,-0.1 0.411 60.7 113.6-111.7 -6.5 36.0 -40.0 -29.4 69 68 A L S S- 0 0 25 1,-0.1 59,-0.3 -58,-0.1 2,-0.1 -0.230 80.0 -93.4 -64.7 153.9 32.7 -39.4 -31.3 70 69 A K > - 0 0 28 57,-3.7 3,-1.9 1,-0.1 6,-0.2 -0.462 33.8-120.7 -64.6 141.9 32.6 -37.1 -34.3 71 70 A A T 3 S+ 0 0 2 1,-0.3 -1,-0.1 63,-0.2 -2,-0.1 0.644 109.0 59.8 -60.7 -14.8 31.8 -33.5 -33.4 72 71 A D T 3 S+ 0 0 83 55,-0.1 -1,-0.3 4,-0.1 5,-0.1 0.506 71.3 122.3 -97.0 -4.8 28.7 -33.7 -35.6 73 72 A V S X> S- 0 0 19 -3,-1.9 4,-1.1 54,-0.2 3,-0.9 -0.290 76.2-112.4 -58.0 143.3 26.9 -36.6 -33.9 74 73 A P H 3> S+ 0 0 119 0, 0.0 4,-0.6 0, 0.0 3,-0.2 0.770 113.2 59.3 -50.2 -33.7 23.4 -35.5 -32.8 75 74 A V H >4 S+ 0 0 53 1,-0.2 3,-1.3 2,-0.2 4,-0.3 0.897 100.6 53.1 -67.9 -40.3 24.3 -35.8 -29.1 76 75 A L H X4 S+ 0 0 1 -3,-0.9 3,-2.1 1,-0.3 -1,-0.2 0.799 94.3 74.5 -63.6 -27.0 27.1 -33.3 -29.3 77 76 A G H >< S+ 0 0 44 -4,-1.1 3,-1.8 1,-0.3 -1,-0.3 0.837 82.5 68.0 -50.8 -36.7 24.5 -30.9 -30.8 78 77 A L T << S+ 0 0 97 -3,-1.3 -1,-0.3 -4,-0.6 3,-0.3 0.732 100.4 48.8 -56.8 -24.0 23.1 -30.5 -27.3 79 78 A Y T <> S+ 0 0 0 -3,-2.1 4,-1.0 -4,-0.3 -1,-0.3 0.073 71.7 116.5-109.8 24.3 26.2 -28.7 -26.2 80 79 A S T <4 S+ 0 0 37 -3,-1.8 68,-0.5 1,-0.2 3,-0.3 0.937 88.9 29.5 -55.1 -49.7 26.5 -26.2 -29.1 81 80 A E T 4 S+ 0 0 128 -3,-0.3 -1,-0.2 -4,-0.2 -2,-0.1 0.821 118.0 56.0 -82.7 -32.8 25.9 -23.2 -26.9 82 81 A A T 4 S+ 0 0 20 -4,-0.2 -77,-2.5 -25,-0.1 2,-0.5 0.510 81.3 104.1 -82.8 -4.7 27.4 -24.6 -23.7 83 82 A T E < +b 5 0A 0 -4,-1.0 65,-0.3 -3,-0.3 -77,-0.2 -0.675 36.0 169.5 -87.2 126.7 30.8 -25.4 -25.1 84 83 A A E + 0 0 2 -79,-2.2 66,-2.0 -2,-0.5 2,-0.3 0.738 63.3 21.1-103.2 -31.8 33.7 -23.1 -24.2 85 84 A K E -bd 6 150A 15 -80,-2.0 -78,-2.1 64,-0.3 2,-0.4 -0.990 53.2-160.5-143.2 145.2 36.8 -24.9 -25.4 86 85 A V E -bd 7 151A 0 64,-2.6 66,-3.0 -2,-0.3 2,-0.6 -0.963 7.9-175.5-127.4 115.8 37.8 -27.7 -27.8 87 86 A L E -bd 8 152A 0 -80,-2.6 -78,-2.8 -2,-0.4 2,-0.5 -0.949 9.5-170.1-104.3 122.7 41.0 -29.5 -27.4 88 87 A Y E -bd 9 153A 1 64,-3.2 66,-2.9 -2,-0.6 2,-0.4 -0.954 6.0-157.6-117.7 124.6 41.7 -32.0 -30.2 89 88 A L E -bd 10 154A 1 -80,-2.4 -78,-0.6 -2,-0.5 2,-0.4 -0.819 5.9-165.5 -99.2 132.7 44.5 -34.5 -30.2 90 89 A V E - 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0 0 8 -3,-1.8 2,-0.3 -7,-0.2 -64,-0.3 -0.681 61.7-143.4-102.4 142.4 34.3 -22.2 -28.3 150 159 A D E -d 85 0A 69 -66,-2.0 -64,-2.6 -2,-0.3 2,-0.4 -0.755 27.2-145.9 -88.8 148.0 38.0 -21.6 -28.8 151 160 A V E -d 86 0A 21 -2,-0.3 2,-0.4 -66,-0.2 -64,-0.2 -0.944 19.0-179.5-124.6 139.6 39.7 -24.6 -30.5 152 161 A L E -d 87 0A 49 -66,-3.0 -64,-3.2 -2,-0.4 2,-0.4 -0.982 6.8-165.3-139.4 127.1 43.2 -26.0 -30.1 153 162 A T E +d 88 0A 44 -2,-0.4 2,-0.3 -66,-0.2 -64,-0.2 -0.908 12.6 176.2-111.9 136.4 44.6 -28.9 -32.0 154 163 A M E -d 89 0A 14 -66,-2.9 -64,-2.7 -2,-0.4 2,-0.4 -0.998 29.0-121.3-141.1 145.5 47.8 -30.7 -30.9 155 164 A R E > -d 90 0A 64 -2,-0.3 4,-2.2 -66,-0.2 3,-0.4 -0.697 16.7-138.6 -80.7 132.0 49.8 -33.8 -32.0 156 165 A Y H > S+ 0 0 27 -66,-3.8 4,-2.7 -2,-0.4 5,-0.2 0.924 106.8 57.7 -46.9 -49.6 50.2 -36.5 -29.5 157 166 A E H > S+ 0 0 42 -67,-0.4 4,-1.6 1,-0.2 -1,-0.2 0.852 106.1 48.0 -52.5 -41.1 53.8 -36.7 -30.7 158 167 A D H > S+ 0 0 62 -3,-0.4 4,-1.4 2,-0.2 -1,-0.2 0.893 110.4 50.4 -70.8 -40.4 54.4 -33.0 -29.9 159 168 A L H < S+ 0 0 0 -4,-2.2 3,-0.4 1,-0.2 8,-0.2 0.930 112.4 49.5 -57.9 -44.0 52.9 -33.4 -26.4 160 169 A K H < S+ 0 0 114 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.808 109.1 51.1 -66.5 -33.4 55.2 -36.4 -25.9 161 170 A G H < S+ 0 0 53 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.709 129.8 14.7 -82.1 -22.2 58.3 -34.5 -27.1 162 171 A D S X S+ 0 0 93 -4,-1.4 4,-3.1 -3,-0.4 5,-0.3 -0.413 72.4 165.6-149.3 68.3 57.9 -31.5 -24.8 163 172 A P H > S+ 0 0 33 0, 0.0 4,-3.1 0, 0.0 5,-0.4 0.861 76.0 50.2 -59.2 -46.9 55.3 -32.4 -22.2 164 173 A V H > S+ 0 0 30 2,-0.2 4,-1.7 1,-0.2 5,-0.2 0.944 117.5 40.0 -59.2 -49.7 56.0 -29.5 -19.8 165 174 A A H > S+ 0 0 38 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.954 122.0 41.0 -62.6 -52.0 55.8 -26.9 -22.6 166 175 A R H X S+ 0 0 63 -4,-3.1 4,-2.4 -8,-0.2 -2,-0.2 0.909 114.6 50.0 -67.0 -44.8 52.9 -28.5 -24.4 167 176 A F H X S+ 0 0 0 -4,-3.1 4,-3.3 -5,-0.3 5,-0.2 0.878 108.8 52.2 -66.0 -37.8 50.8 -29.4 -21.3 168 177 A S H X S+ 0 0 19 -4,-1.7 4,-2.7 -5,-0.4 -1,-0.2 0.904 109.5 51.1 -62.1 -39.4 51.2 -25.9 -19.8 169 178 A E H X S+ 0 0 78 -4,-1.7 4,-2.9 2,-0.2 -2,-0.2 0.932 112.1 47.2 -58.6 -45.5 49.9 -24.7 -23.2 170 179 A I H X S+ 0 0 0 -4,-2.4 4,-2.8 2,-0.2 -2,-0.2 0.968 112.7 47.1 -61.3 -53.8 47.0 -27.1 -22.9 171 180 A V H X>S+ 0 0 5 -4,-3.3 4,-0.9 1,-0.2 5,-0.7 0.902 114.1 48.7 -54.7 -44.4 46.2 -26.1 -19.3 172 181 A E H ><5S+ 0 0 138 -4,-2.7 3,-1.0 -5,-0.2 -1,-0.2 0.941 111.3 49.9 -61.2 -48.0 46.4 -22.5 -20.2 173 182 A F H 3<5S+ 0 0 35 -4,-2.9 -2,-0.2 1,-0.3 -1,-0.2 0.910 103.4 59.5 -56.8 -45.2 44.2 -23.0 -23.2 174 183 A L H 3<5S- 0 0 0 -4,-2.8 -1,-0.3 -5,-0.2 -2,-0.2 0.739 94.8-148.2 -60.2 -23.6 41.6 -24.8 -21.1 175 184 A D T <<5 + 0 0 59 -3,-1.0 -3,-0.1 -4,-0.9 -2,-0.1 0.943 24.1 177.0 56.3 57.0 41.3 -21.7 -18.9 176 185 A L < - 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0 0 63 -3,-0.8 4,-3.5 1,-0.1 5,-0.3 -0.318 62.1 -99.0 -71.2 164.9 55.2 -41.5 -16.5 194 203 A L H > S+ 0 0 109 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.928 127.2 47.7 -50.1 -52.5 55.2 -44.6 -18.7 195 204 A E H > S+ 0 0 116 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.939 112.3 50.3 -55.0 -49.4 55.6 -46.9 -15.6 196 205 A R H > S+ 0 0 47 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.924 109.4 49.6 -54.4 -49.0 52.9 -45.0 -13.9 197 206 A M H X S+ 0 0 39 -4,-3.5 4,-1.9 1,-0.2 -1,-0.2 0.854 110.6 53.2 -59.1 -33.1 50.6 -45.4 -16.9 198 207 A R H X S+ 0 0 131 -4,-2.1 4,-2.6 -5,-0.3 -2,-0.2 0.949 106.2 50.1 -67.3 -48.7 51.5 -49.0 -16.7 199 208 A E H X S+ 0 0 41 -4,-2.9 4,-3.5 1,-0.2 5,-0.3 0.884 106.3 58.8 -55.1 -40.0 50.5 -49.3 -13.0 200 209 A L H X S+ 0 0 2 -4,-2.4 4,-0.8 2,-0.2 -1,-0.2 0.955 108.4 43.1 -55.5 -54.9 47.2 -47.7 -14.0 201 210 A E H >< S+ 0 0 139 -4,-1.9 3,-1.3 2,-0.2 -2,-0.2 0.988 122.2 40.7 -48.6 -65.8 46.4 -50.4 -16.4 202 211 A K H 3< S+ 0 0 70 -4,-2.6 -2,-0.2 1,-0.3 -3,-0.2 0.955 112.8 50.8 -47.4 -70.9 47.6 -53.1 -14.0 203 212 A R H 3< S+ 0 0 80 -4,-3.5 2,-0.3 1,-0.3 -1,-0.3 0.580 109.9 59.2 -51.5 -10.1 46.1 -51.6 -10.8 204 213 A S << 0 0 41 -3,-1.3 -1,-0.3 -4,-0.8 -170,-0.0 -0.651 360.0 360.0-121.2 76.3 42.9 -51.4 -12.7 205 214 A Q 0 0 140 -2,-0.3 -3,-0.0 -3,-0.1 -4,-0.0 -0.941 360.0 360.0-177.0 360.0 42.1 -55.0 -13.7 206 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 207 241 A Q 0 0 110 0, 0.0 2,-0.3 0, 0.0 -109,-0.1 0.000 360.0 360.0 360.0-174.0 57.8 -49.5 -36.2 208 242 A S > - 0 0 41 -114,-0.0 3,-0.6 0, 0.0 4,-0.2 -0.760 360.0-109.1-116.3 170.8 56.4 -50.6 -39.5 209 243 A L T 3> S+ 0 0 0 -2,-0.3 4,-0.6 1,-0.2 8,-0.5 0.097 84.6 114.1 -87.4 24.8 53.7 -53.1 -40.2 210 244 A S T >4 + 0 0 59 1,-0.2 3,-1.0 2,-0.2 -1,-0.2 0.858 65.1 60.8 -65.6 -39.0 56.3 -55.5 -41.6 211 245 A F T <4 S+ 0 0 134 -3,-0.6 -1,-0.2 1,-0.3 3,-0.1 0.908 102.0 53.4 -57.3 -41.9 55.8 -58.1 -38.9 212 246 A L T 34 S- 0 0 8 1,-0.2 -1,-0.3 -3,-0.2 -2,-0.2 0.773 137.8 -75.9 -58.8 -24.7 52.2 -58.5 -40.0 213 247 A G XX - 0 0 15 -3,-1.0 4,-2.2 -4,-0.6 3,-1.4 -0.265 30.0-104.6 132.0 139.8 53.7 -59.0 -43.4 214 248 A E H 3> S+ 0 0 74 1,-0.3 4,-2.9 2,-0.2 5,-0.2 0.807 120.9 64.5 -58.7 -29.7 55.4 -56.9 -46.1 215 249 A D H 3> S+ 0 0 84 2,-0.2 4,-1.5 1,-0.2 -1,-0.3 0.836 107.0 42.2 -58.6 -34.3 52.1 -57.4 -48.0 216 250 A I H <> S+ 0 0 12 -3,-1.4 4,-2.5 -7,-0.2 -2,-0.2 0.894 112.0 50.5 -83.9 -46.2 50.4 -55.4 -45.2 217 251 A E H X S+ 0 0 34 -4,-2.2 4,-2.9 -8,-0.5 5,-0.2 0.943 111.3 53.4 -51.4 -48.3 53.1 -52.8 -44.7 218 252 A S H X S+ 0 0 75 -4,-2.9 4,-2.2 1,-0.2 -2,-0.2 0.935 106.9 49.6 -52.3 -52.3 52.7 -52.4 -48.5 219 253 A A H X S+ 0 0 41 -4,-1.5 4,-2.1 1,-0.2 -1,-0.2 0.890 111.8 48.8 -57.6 -41.8 49.0 -51.9 -48.2 220 254 A Y H X S+ 0 0 0 -4,-2.5 4,-3.4 1,-0.2 -1,-0.2 0.953 108.4 53.0 -62.9 -49.2 49.4 -49.3 -45.5 221 255 A Q H X S+ 0 0 55 -4,-2.9 4,-1.8 1,-0.2 -1,-0.2 0.860 107.7 52.3 -55.0 -38.2 52.0 -47.4 -47.5 222 256 A E H X S+ 0 0 65 -4,-2.2 4,-1.3 -5,-0.2 3,-0.3 0.961 112.7 44.0 -62.7 -51.7 49.6 -47.3 -50.5 223 257 A L H >< S+ 0 0 20 -4,-2.1 3,-0.8 1,-0.2 5,-0.4 0.956 112.4 54.3 -52.2 -52.9 46.9 -45.8 -48.3 224 258 A L H 3< S+ 0 0 3 -4,-3.4 -1,-0.2 1,-0.3 11,-0.2 0.765 120.9 27.4 -58.0 -35.0 49.3 -43.4 -46.6 225 259 A H H 3< S+ 0 0 106 -4,-1.8 -1,-0.3 -3,-0.3 -2,-0.2 0.393 103.5 101.1-111.4 2.1 50.6 -41.9 -49.9 226 260 A G S << S- 0 0 40 -4,-1.3 -3,-0.1 -3,-0.8 -4,-0.0 0.330 89.4 -90.6 -70.5-157.4 47.5 -42.4 -52.0 227 261 A D S S+ 0 0 113 4,-0.1 -4,-0.1 5,-0.0 -1,-0.1 0.282 82.9 118.7-105.1 7.4 44.8 -39.9 -53.0 228 262 A S S > S- 0 0 30 -5,-0.4 4,-2.0 1,-0.1 5,-0.1 -0.290 77.8-114.9 -78.9 158.3 42.5 -40.7 -50.1 229 263 A E H > S+ 0 0 79 1,-0.2 4,-2.4 2,-0.2 5,-0.3 0.907 120.3 59.2 -52.4 -43.1 41.3 -38.3 -47.4 230 264 A F H > S+ 0 0 0 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.940 106.8 45.6 -49.6 -51.3 43.3 -40.5 -45.0 231 265 A A H > S+ 0 0 5 -8,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.819 109.4 57.4 -64.6 -31.4 46.4 -39.7 -47.0 232 266 A H H X S+ 0 0 87 -4,-2.0 4,-1.7 1,-0.2 -2,-0.2 0.953 112.2 37.3 -66.1 -49.3 45.5 -36.0 -47.1 233 267 A Y H X S+ 0 0 9 -4,-2.4 4,-1.6 2,-0.2 6,-0.2 0.812 112.4 58.1 -77.1 -29.7 45.4 -35.6 -43.3 234 268 A A H ><>S+ 0 0 0 -4,-2.1 5,-2.6 -5,-0.3 3,-0.7 0.976 109.4 45.2 -57.7 -54.6 48.3 -37.9 -42.6 235 269 A K H ><5S+ 0 0 133 -4,-1.9 3,-1.5 1,-0.2 -2,-0.2 0.880 108.9 58.6 -54.5 -42.6 50.5 -35.7 -44.9 236 270 A Q H 3<5S+ 0 0 113 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.820 107.8 43.8 -59.4 -36.4 49.1 -32.6 -43.2 237 271 A Y T <<5S- 0 0 45 -4,-1.6 -1,-0.3 -3,-0.7 -2,-0.2 0.184 120.1-105.4-100.7 19.0 50.2 -33.7 -39.7 238 272 A G T < 5S+ 0 0 53 -3,-1.5 -3,-0.2 -4,-0.1 -2,-0.1 0.689 88.5 120.4 72.4 21.0 53.6 -34.8 -40.9 239 273 A Y S