==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=31-MAY-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 20-MAY-13 4KT7 . COMPND 2 MOLECULE: 2-C-METHYL-D-ERYTHRITOL 4-PHOSPHATE CYTIDYLYLTRAN . SOURCE 2 ORGANISM_SCIENTIFIC: ANAEROCOCCUS PREVOTII; . AUTHOR D.BOREK,K.TAN,L.STOLS,W.H.ESCHENFEIDT,Z.OTWINOSKI,A.JOACHIMI . 446 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21135.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 311 69.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 52 11.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 54 12.1 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 . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 29 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 62 13.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 107 24.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.7 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 0 0 1 0 2 3 3 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 4 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 PARALLEL BRIDGES PER LADDER . 3 4 2 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 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 0 0 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 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 -2 A S 0 0 55 0, 0.0 2,-0.4 0, 0.0 8,-0.1 0.000 360.0 360.0 360.0 175.5 20.6 -22.3 20.1 2 -1 A N > > - 0 0 25 6,-0.5 5,-2.1 3,-0.3 3,-0.9 -0.992 360.0-140.7-132.3 137.0 19.3 -20.8 23.3 3 0 A A G > 5S+ 0 0 99 -2,-0.4 3,-0.6 1,-0.2 -1,-0.1 0.786 105.6 55.0 -64.8 -30.0 17.7 -22.5 26.3 4 1 A X G 3 5S+ 0 0 132 1,-0.2 -1,-0.2 2,-0.1 0, 0.0 0.562 105.4 55.9 -80.8 -8.4 15.1 -19.7 26.7 5 2 A I G X 5S- 0 0 5 -3,-0.9 3,-2.5 3,-0.1 -3,-0.3 -0.351 125.9 -92.2-120.9 51.0 14.1 -20.2 23.1 6 3 A D T < 5 - 0 0 133 -3,-0.6 -3,-0.2 1,-0.3 3,-0.1 0.606 67.9 -78.8 55.1 18.5 13.1 -23.9 23.2 7 4 A G T 3 S- 0 0 63 1,-0.3 3,-1.0 2,-0.0 2,-0.2 0.522 100.1-163.3 -80.3 -10.6 29.4 -4.5 -4.3 20 17 A G T 3 - 0 0 8 1,-0.2 -1,-0.3 -5,-0.0 -3,-0.1 -0.399 51.8 -15.3 69.3-133.7 30.8 -7.2 -2.0 21 18 A L T 3 S+ 0 0 11 -5,-0.2 6,-2.3 -2,-0.2 -1,-0.2 0.721 127.5 56.3 -81.1 -23.1 34.4 -7.0 -1.0 22 19 A R B < J 26 0B 76 -3,-1.0 4,-0.2 4,-0.2 37,-0.0 -0.694 360.0 360.0-111.8 164.8 35.4 -4.4 -3.6 23 20 A X 0 0 111 2,-1.6 -1,-0.1 -2,-0.2 3,-0.1 0.531 360.0 360.0-126.2 360.0 34.2 -0.9 -4.4 24 ! 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 25 27 A P 0 0 113 0, 0.0 -2,-1.6 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 119.4 39.6 -1.3 -4.5 26 28 A Y B -J 22 0B 86 -4,-0.2 2,-1.0 1,-0.1 -4,-0.2 -0.364 360.0-121.4 -67.3 131.7 39.1 -3.3 -1.3 27 29 A I + 0 0 8 -6,-2.3 7,-2.0 -2,-0.1 2,-0.4 -0.603 49.6 166.8 -68.6 100.6 36.7 -2.0 1.4 28 30 A E E -K 33 0C 88 -2,-1.0 2,-0.4 5,-0.2 5,-0.2 -0.950 21.0-177.7-126.7 147.1 39.1 -1.7 4.3 29 31 A V E > S-K 32 0C 1 3,-2.8 3,-2.0 -2,-0.4 8,-0.1 -0.998 74.7 -5.5-143.9 129.6 38.9 -0.0 7.7 30 32 A G T 3 S- 0 0 58 -2,-0.4 3,-0.1 1,-0.3 -1,-0.0 0.631 129.8 -56.8 59.7 13.5 41.6 0.1 10.4 31 33 A G T 3 S+ 0 0 71 1,-0.3 2,-0.4 0, 0.0 -1,-0.3 0.571 119.7 99.4 94.3 10.1 43.7 -2.2 8.3 32 34 A R E < S-K 29 0C 79 -3,-2.0 -3,-2.8 3,-0.0 -1,-0.3 -0.973 81.3-105.5-129.1 143.4 41.1 -5.0 8.1 33 35 A K E >> -K 28 0C 54 -2,-0.4 4,-1.5 -5,-0.2 3,-0.8 -0.465 34.2-126.0 -62.1 134.8 38.6 -5.9 5.4 34 36 A V H 3> S+ 0 0 3 -7,-2.0 4,-1.9 1,-0.3 5,-0.1 0.870 108.6 54.7 -54.6 -38.9 35.1 -4.8 6.7 35 37 A L H 3> S+ 0 0 8 -8,-0.3 4,-2.9 1,-0.2 -1,-0.3 0.846 104.1 55.9 -66.6 -32.3 33.6 -8.2 6.2 36 38 A E H <> S+ 0 0 34 -3,-0.8 4,-2.4 2,-0.2 -1,-0.2 0.884 105.6 49.9 -67.3 -39.7 36.3 -9.7 8.4 37 39 A I H X S+ 0 0 28 -4,-1.5 4,-1.8 2,-0.2 -1,-0.2 0.918 114.6 46.0 -64.0 -41.6 35.5 -7.4 11.3 38 40 A T H X S+ 0 0 2 -4,-1.9 4,-2.5 68,-0.3 -2,-0.2 0.948 113.3 47.3 -64.2 -50.6 31.8 -8.3 11.0 39 41 A L H X S+ 0 0 0 -4,-2.9 4,-2.6 1,-0.2 -2,-0.2 0.854 107.1 59.0 -64.0 -35.4 32.5 -12.0 10.7 40 42 A D H X S+ 0 0 31 -4,-2.4 4,-0.7 -5,-0.2 -1,-0.2 0.942 109.9 43.2 -54.8 -50.3 34.8 -11.8 13.7 41 43 A T H >< S+ 0 0 17 -4,-1.8 3,-1.0 1,-0.2 4,-0.3 0.944 115.0 47.2 -63.9 -49.1 31.9 -10.5 15.8 42 44 A V H >< S+ 0 0 0 -4,-2.5 3,-1.7 1,-0.3 6,-0.2 0.871 106.1 57.8 -64.0 -36.6 29.2 -12.9 14.5 43 45 A S H 3< S+ 0 0 30 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.701 98.6 62.3 -70.9 -15.0 31.4 -16.0 14.9 44 46 A R T << S+ 0 0 124 -3,-1.0 2,-1.0 -4,-0.7 -1,-0.3 0.549 81.1 92.9 -81.3 -10.0 31.8 -15.1 18.7 45 47 A V X - 0 0 3 -3,-1.7 3,-1.3 -4,-0.3 -1,-0.1 -0.744 55.0-175.3 -89.2 99.6 28.0 -15.5 19.2 46 48 A K T 3 S+ 0 0 159 -2,-1.0 -1,-0.2 1,-0.3 -3,-0.0 0.642 75.8 71.6 -74.7 -15.7 27.6 -19.1 20.3 47 49 A E T 3 S+ 0 0 60 -3,-0.1 2,-0.5 -38,-0.0 -37,-0.4 0.794 82.8 83.2 -65.9 -28.5 23.8 -18.9 20.3 48 50 A I < - 0 0 14 -3,-1.3 -37,-0.2 -6,-0.2 3,-0.1 -0.667 65.9-165.3 -79.0 126.3 24.0 -18.8 16.5 49 51 A D + 0 0 49 -39,-2.4 2,-0.3 -2,-0.5 -38,-0.2 0.731 67.1 7.7 -88.8 -23.8 24.3 -22.4 15.2 50 52 A E E -b 11 0A 2 -40,-1.1 -38,-2.2 22,-0.1 2,-0.4 -0.988 61.1-144.3-154.7 154.7 25.4 -21.7 11.7 51 53 A I E -bc 12 74A 10 22,-2.6 24,-2.4 -2,-0.3 2,-0.6 -0.983 9.1-165.6-128.1 124.6 26.5 -18.7 9.5 52 54 A I E -bc 13 75A 0 -40,-3.5 -38,-3.0 -2,-0.4 2,-0.4 -0.943 6.5-159.4-111.0 117.5 25.7 -18.3 5.8 53 55 A L E -bc 14 76A 0 22,-2.6 24,-2.5 -2,-0.6 2,-0.6 -0.810 5.2-153.2 -90.2 133.8 27.6 -15.7 3.8 54 56 A V E +bc 15 77A 0 -40,-2.6 -38,-3.2 -2,-0.4 2,-0.2 -0.948 29.1 174.5-109.3 120.1 26.0 -14.5 0.7 55 57 A I E -bc 16 78A 1 22,-2.5 24,-3.4 -2,-0.6 2,-0.4 -0.681 38.4-101.2-122.3 167.1 28.7 -13.3 -1.7 56 58 A R > - 0 0 92 -40,-0.7 3,-1.5 -2,-0.2 4,-0.2 -0.728 35.7-127.2 -79.7 141.2 29.5 -12.1 -5.2 57 59 A K G > S+ 0 0 136 -2,-0.4 3,-1.5 1,-0.3 4,-0.2 0.842 108.5 61.4 -58.3 -32.9 30.9 -14.9 -7.3 58 60 A D G 3 S+ 0 0 102 1,-0.3 -1,-0.3 2,-0.1 3,-0.2 0.686 100.9 53.1 -68.3 -19.8 33.8 -12.7 -8.2 59 61 A D G <> S+ 0 0 2 -3,-1.5 4,-2.4 1,-0.2 -1,-0.3 0.316 77.4 107.7 -95.4 6.1 34.9 -12.5 -4.5 60 62 A E H <> S+ 0 0 36 -3,-1.5 4,-2.6 1,-0.2 5,-0.2 0.880 74.6 49.9 -58.4 -46.3 34.9 -16.2 -4.0 61 63 A D H > S+ 0 0 113 -4,-0.2 4,-1.7 -3,-0.2 -1,-0.2 0.916 115.3 43.0 -60.4 -45.7 38.7 -16.8 -3.8 62 64 A I H > S+ 0 0 44 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.832 111.4 56.9 -68.9 -32.2 39.2 -14.0 -1.2 63 65 A I H X S+ 0 0 1 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.921 106.1 49.9 -62.3 -43.0 36.1 -15.3 0.6 64 66 A K H X S+ 0 0 95 -4,-2.6 4,-1.2 2,-0.2 -2,-0.2 0.889 110.1 50.4 -60.1 -41.9 37.8 -18.7 0.9 65 67 A D H X S+ 0 0 103 -4,-1.7 4,-0.5 1,-0.2 3,-0.3 0.895 111.8 47.7 -65.9 -39.9 40.9 -17.1 2.3 66 68 A I H >< S+ 0 0 6 -4,-2.1 3,-0.9 1,-0.2 4,-0.3 0.913 109.9 53.4 -66.5 -39.9 38.9 -15.2 4.8 67 69 A L H >< S+ 0 0 25 -4,-2.4 3,-1.2 1,-0.2 -1,-0.2 0.687 91.5 73.1 -73.0 -18.6 37.0 -18.3 5.9 68 70 A E H 3< S+ 0 0 160 -4,-1.2 -1,-0.2 -3,-0.3 -2,-0.2 0.827 89.4 61.2 -64.3 -31.3 40.1 -20.5 6.5 69 71 A K T << S+ 0 0 108 -3,-0.9 2,-0.4 -4,-0.5 -1,-0.3 0.711 94.5 80.6 -68.5 -18.1 40.7 -18.5 9.7 70 72 A Y < - 0 0 29 -3,-1.2 4,-0.1 -4,-0.3 -30,-0.0 -0.770 53.8-172.2-100.5 133.1 37.3 -19.6 11.1 71 73 A D + 0 0 166 -2,-0.4 -1,-0.1 2,-0.1 3,-0.1 0.801 56.6 97.1 -80.7 -34.3 36.6 -23.0 12.7 72 74 A G S S- 0 0 54 1,-0.2 2,-2.2 -29,-0.1 -22,-0.1 0.382 94.7 -77.2 -62.2-176.4 32.9 -22.8 13.0 73 75 A N S S+ 0 0 83 -24,-0.2 -22,-2.6 -30,-0.1 2,-0.5 -0.533 78.6 143.4 -79.3 72.0 29.9 -23.9 11.0 74 76 A I E +c 51 0A 26 -2,-2.2 2,-0.3 -24,-0.2 -22,-0.2 -0.964 15.2 151.6-119.9 128.7 30.4 -21.2 8.4 75 77 A R E -c 52 0A 80 -24,-2.4 -22,-2.6 -2,-0.5 2,-0.3 -0.878 27.3-129.4-143.5 179.3 29.8 -21.5 4.7 76 78 A Y E -c 53 0A 58 -2,-0.3 2,-0.3 -24,-0.2 -22,-0.2 -0.959 10.5-168.6-135.9 152.3 28.8 -19.4 1.7 77 79 A V E -c 54 0A 33 -24,-2.5 -22,-2.5 -2,-0.3 2,-0.2 -0.903 37.6 -97.2-127.6 161.5 26.4 -19.3 -1.3 78 80 A Y E -c 55 0A 93 -2,-0.3 -22,-0.2 -24,-0.2 -61,-0.1 -0.556 38.3-139.5 -76.6 142.6 26.4 -17.0 -4.3 79 81 A G - 0 0 22 -24,-3.4 2,-0.1 -2,-0.2 7,-0.1 -0.092 14.1-133.9 -86.7-167.2 24.1 -14.0 -4.1 80 82 A S - 0 0 53 2,-0.4 -1,-0.1 3,-0.1 6,-0.1 -0.320 37.3 -67.6-130.6-146.8 21.9 -12.6 -6.9 81 83 A T S S+ 0 0 125 -2,-0.1 2,-0.3 2,-0.0 3,-0.1 0.475 107.8 33.5 -99.3 -4.8 20.9 -9.3 -8.5 82 84 A T S > S- 0 0 64 1,-0.1 4,-2.4 0, 0.0 -2,-0.4 -0.952 84.9-107.7-137.8 164.7 19.0 -7.5 -5.7 83 85 A R H > S+ 0 0 88 -2,-0.3 4,-2.4 1,-0.2 5,-0.1 0.911 120.7 48.8 -52.7 -44.7 19.3 -7.5 -1.9 84 86 A E H > S+ 0 0 24 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.915 109.7 47.7 -68.2 -46.0 16.1 -9.6 -1.7 85 87 A L H > S+ 0 0 58 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.870 112.7 52.4 -63.7 -34.5 17.1 -12.2 -4.3 86 88 A S H X S+ 0 0 4 -4,-2.4 4,-1.8 2,-0.2 -2,-0.2 0.940 107.5 50.5 -61.8 -48.2 20.4 -12.5 -2.4 87 89 A T H X S+ 0 0 4 -4,-2.4 4,-2.8 1,-0.2 -2,-0.2 0.916 107.7 54.7 -58.3 -40.7 18.7 -13.0 0.9 88 90 A F H X S+ 0 0 23 -4,-2.4 4,-2.5 1,-0.3 -1,-0.2 0.866 103.9 53.1 -64.4 -36.4 16.5 -15.7 -0.6 89 91 A E H X S+ 0 0 64 -4,-1.6 4,-0.9 2,-0.2 -1,-0.3 0.886 111.2 48.8 -62.0 -37.3 19.6 -17.6 -1.8 90 92 A G H >< S+ 0 0 0 -4,-1.8 3,-0.6 1,-0.2 -2,-0.2 0.926 111.3 48.8 -65.4 -44.9 20.7 -17.4 1.8 91 93 A L H >< S+ 0 0 3 -4,-2.8 3,-1.0 1,-0.2 -2,-0.2 0.838 107.8 54.4 -65.0 -35.2 17.3 -18.6 3.0 92 94 A K H 3< S+ 0 0 107 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.739 105.6 54.8 -67.4 -25.1 17.3 -21.6 0.6 93 95 A A T << S+ 0 0 25 -4,-0.9 -1,-0.2 -3,-0.6 -2,-0.2 0.368 80.5 121.4 -93.6 4.0 20.7 -22.7 1.9 94 96 A L S < S- 0 0 18 -3,-1.0 -3,-0.0 -4,-0.2 7,-0.0 -0.358 75.1 -93.5 -70.4 147.0 19.8 -22.9 5.6 95 97 A D > - 0 0 47 1,-0.1 3,-2.0 2,-0.1 -1,-0.1 -0.284 34.1-119.0 -52.4 140.7 20.1 -26.2 7.5 96 98 A P T 3 S+ 0 0 131 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.760 114.7 57.4 -57.9 -24.5 16.8 -28.2 7.5 97 99 A Q T 3 S+ 0 0 125 -87,-0.0 -88,-0.5 -89,-0.0 2,-0.1 0.602 77.6 123.4 -81.5 -10.6 16.7 -27.9 11.3 98 100 A S < + 0 0 7 -3,-2.0 -88,-0.2 1,-0.2 3,-0.1 -0.257 24.4 163.1 -59.5 122.5 16.8 -24.1 11.2 99 101 A E + 0 0 97 -90,-2.3 69,-2.5 1,-0.3 70,-0.4 0.584 65.1 39.0-112.0 -15.5 13.8 -22.6 13.1 100 102 A L E -aD 10 167A 4 -91,-1.6 -89,-2.8 67,-0.2 2,-0.4 -0.995 65.6-163.5-135.2 140.7 15.1 -19.0 13.6 101 103 A V E -aD 11 166A 1 65,-2.7 65,-2.5 -2,-0.3 2,-0.4 -0.989 4.7-166.8-132.7 129.2 17.1 -16.8 11.3 102 104 A L E -aD 12 165A 0 -91,-2.8 -89,-2.8 -2,-0.4 2,-0.3 -0.912 11.5-161.1-105.8 137.9 19.0 -13.6 11.9 103 105 A T E +aD 13 164A 14 61,-2.8 61,-1.7 -2,-0.4 2,-0.3 -0.901 12.7 172.6-116.5 150.2 20.1 -11.4 9.0 104 106 A H E -a 14 0A 3 -91,-2.1 -89,-2.1 -2,-0.3 2,-0.4 -0.972 34.7-108.8-157.5 144.7 22.9 -8.8 9.0 105 107 A D E > -a 15 0A 23 -2,-0.3 3,-1.9 -91,-0.2 -89,-0.2 -0.587 19.0-143.0 -74.6 125.5 24.7 -6.6 6.5 106 108 A G T 3 S+ 0 0 1 -91,-2.8 -68,-0.3 -2,-0.4 -90,-0.2 0.790 100.4 60.0 -54.8 -28.6 28.3 -7.6 5.9 107 109 A V T 3 S+ 0 0 24 -92,-0.4 106,-2.5 1,-0.2 -1,-0.3 0.121 82.4 84.0 -93.0 22.7 29.2 -4.0 5.7 108 110 A R X + 0 0 23 -3,-1.9 3,-0.8 104,-0.2 -1,-0.2 -0.732 52.7 162.9-114.9 78.0 28.0 -3.1 9.2 109 111 A P T 3 + 0 0 3 0, 0.0 -68,-0.1 0, 0.0 -1,-0.1 0.607 60.2 62.6 -75.5 -13.6 31.2 -4.1 11.0 110 112 A F T 3 + 0 0 24 101,-0.4 100,-0.1 99,-0.2 99,-0.1 0.491 61.5 123.6-100.9 -2.6 30.6 -2.3 14.3 111 113 A A < - 0 0 2 -3,-0.8 -70,-0.0 100,-0.1 2,-0.0 -0.379 63.3-126.7 -55.6 125.7 27.4 -4.0 15.6 112 114 A S > - 0 0 37 1,-0.1 4,-1.2 -2,-0.1 3,-0.5 -0.338 13.7-113.8 -75.6 161.8 28.4 -5.3 19.1 113 115 A E H > S+ 0 0 59 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.874 117.7 60.5 -58.1 -38.0 28.0 -8.9 20.1 114 116 A E H > S+ 0 0 122 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.832 99.1 55.7 -60.1 -33.8 25.5 -7.6 22.7 115 117 A L H > S+ 0 0 0 -3,-0.5 4,-2.0 2,-0.2 -1,-0.2 0.891 107.8 48.2 -68.4 -39.3 23.3 -6.2 19.9 116 118 A F H X S+ 0 0 1 -4,-1.2 4,-2.5 2,-0.2 -2,-0.2 0.904 112.4 48.8 -64.4 -42.4 23.1 -9.6 18.3 117 119 A L H X S+ 0 0 46 -4,-2.2 4,-3.0 2,-0.2 -2,-0.2 0.900 110.7 50.7 -63.2 -41.2 22.3 -11.3 21.6 118 120 A K H X S+ 0 0 72 -4,-2.5 4,-1.2 2,-0.2 -1,-0.2 0.883 110.7 49.1 -64.1 -38.9 19.5 -8.7 22.2 119 121 A T H X S+ 0 0 0 -4,-2.0 4,-0.5 2,-0.2 3,-0.3 0.929 112.9 47.4 -66.4 -44.5 18.1 -9.3 18.8 120 122 A I H >< S+ 0 0 0 -4,-2.5 3,-1.7 1,-0.2 4,-0.2 0.938 109.1 53.6 -61.8 -45.9 18.1 -13.0 19.4 121 123 A N H >< S+ 0 0 82 -4,-3.0 3,-1.3 1,-0.3 4,-0.3 0.775 98.4 63.9 -63.4 -24.5 16.5 -12.7 22.9 122 124 A A H >X S+ 0 0 17 -4,-1.2 3,-1.0 -3,-0.3 4,-1.0 0.731 88.9 70.9 -70.7 -18.4 13.6 -10.7 21.4 123 125 A L T << S+ 0 0 9 -3,-1.7 -1,-0.2 -4,-0.5 -2,-0.2 0.615 76.2 83.4 -71.2 -10.3 12.7 -13.8 19.4 124 126 A R T <4 S+ 0 0 128 -3,-1.3 -1,-0.2 -4,-0.2 -2,-0.2 0.883 113.9 9.1 -60.1 -36.6 11.6 -15.5 22.7 125 127 A K T <4 S+ 0 0 156 -3,-1.0 2,-0.3 -4,-0.3 -1,-0.2 0.369 124.4 62.1-126.4 2.2 8.2 -13.8 22.4 126 128 A N < - 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0 0 93 -37,-0.6 3,-0.9 -2,-0.2 -32,-0.1 -0.639 34.8-127.5 -74.8 144.2 27.3 32.9 23.9 278 59 B K G > S+ 0 0 137 -2,-0.3 3,-1.8 1,-0.2 4,-0.2 0.858 107.0 62.2 -62.0 -34.4 28.4 35.8 26.1 279 60 B D G 3 S+ 0 0 124 1,-0.3 3,-0.3 2,-0.1 -1,-0.2 0.749 101.9 51.1 -64.7 -24.9 31.6 33.9 27.0 280 61 B D G <> S+ 0 0 20 -3,-0.9 4,-2.5 1,-0.2 -1,-0.3 0.243 77.2 112.0 -94.6 13.7 32.7 33.8 23.3 281 62 B E H <> S+ 0 0 36 -3,-1.8 4,-2.9 1,-0.2 5,-0.2 0.860 75.6 48.4 -58.1 -41.1 32.2 37.6 22.9 282 63 B D H > S+ 0 0 114 -3,-0.3 4,-1.9 -4,-0.2 -1,-0.2 0.918 112.2 47.7 -68.2 -45.2 35.9 38.4 22.5 283 64 B I H > S+ 0 0 58 -4,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.911 114.5 48.7 -58.3 -44.5 36.5 35.7 19.9 284 65 B I H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.951 108.1 51.3 -61.9 -54.5 33.4 36.9 18.1 285 66 B K H < S+ 0 0 94 -4,-2.9 4,-0.5 1,-0.2 -1,-0.2 0.865 112.7 49.5 -48.6 -41.3 34.3 40.6 18.1 286 67 B D H >X S+ 0 0 96 -4,-1.9 3,-1.3 2,-0.2 4,-0.7 0.938 108.7 49.8 -65.7 -51.4 37.7 39.6 16.7 287 68 B I H >< S+ 0 0 6 -4,-2.5 3,-1.2 1,-0.2 4,-0.3 0.907 106.9 56.8 -51.7 -45.3 36.2 37.4 13.9 288 69 B L G >< S+ 0 0 27 -4,-2.6 3,-0.6 1,-0.3 -1,-0.2 0.622 91.7 70.5 -68.0 -14.7 33.9 40.3 12.9 289 70 B E G <4 S+ 0 0 141 -3,-1.3 -1,-0.3 -4,-0.5 -2,-0.2 0.850 90.6 61.4 -67.5 -34.6 36.9 42.7 12.4 290 71 B K G << S+ 0 0 106 -3,-1.2 2,-0.4 -4,-0.7 -1,-0.2 0.707 101.2 68.0 -63.7 -20.6 37.8 40.6 9.3 291 72 B Y < - 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0 0 94 -5,-0.4 2,-0.4 2,-0.0 -2,-0.1 -0.604 48.7-150.9 -87.5 147.3 4.3 23.8 23.5 405 186 B K - 0 0 169 -2,-0.2 2,-0.3 0, 0.0 -2,-0.1 -0.969 16.4-163.5-115.2 135.0 7.6 22.2 22.5 406 187 B V - 0 0 17 -2,-0.4 3,-0.1 1,-0.1 -101,-0.1 -0.909 25.9-143.7-121.8 148.8 8.6 22.3 18.9 407 188 B T S S- 0 0 33 -2,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.823 85.9 -19.7 -70.3 -37.2 11.2 20.4 16.8 408 189 B D S > S- 0 0 6 1,-0.0 3,-1.3 -103,-0.0 4,-0.4 -0.952 77.3 -86.3-164.7 172.2 12.1 23.5 14.8 409 190 B D G > S+ 0 0 3 -2,-0.3 3,-1.7 1,-0.3 4,-0.3 0.844 119.3 61.6 -62.8 -33.6 10.6 26.9 13.8 410 191 B S G > S+ 0 0 1 1,-0.3 3,-1.2 2,-0.2 4,-0.3 0.734 89.7 69.2 -69.6 -18.2 8.7 25.5 10.9 411 192 B Q G X> S+ 0 0 21 -3,-1.3 4,-2.2 1,-0.2 3,-1.2 0.711 80.9 78.7 -70.0 -17.3 6.6 23.3 13.2 412 193 B L H <> S+ 0 0 1 -3,-1.7 4,-2.1 -4,-0.4 -1,-0.2 0.831 84.5 60.9 -58.6 -31.2 5.1 26.5 14.5 413 194 B F H <4>S+ 0 0 7 -3,-1.2 5,-2.5 -4,-0.3 -1,-0.3 0.735 108.3 44.0 -71.7 -22.9 2.8 26.6 11.4 414 195 B E H X45S+ 0 0 62 -3,-1.2 3,-1.4 -4,-0.3 -2,-0.2 0.900 112.5 49.7 -80.0 -51.5 1.3 23.2 12.4 415 196 B F H 3<5S+ 0 0 66 -4,-2.2 -2,-0.2 1,-0.3 -3,-0.1 0.824 114.0 46.2 -60.1 -34.0 0.9 24.0 16.1 416 197 B F T 3<5S- 0 0 23 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.1 -0.215 112.4-115.1-108.6 41.9 -0.8 27.3 15.3 417 198 B D T < 5 - 0 0 142 -3,-1.4 2,-0.2 1,-0.1 -3,-0.2 0.730 47.8-175.9 36.1 57.6 -3.2 26.0 12.7 418 199 B R < - 0 0 99 -5,-2.5 -1,-0.1 1,-0.1 -5,-0.0 -0.562 36.0-156.7 -88.9 146.0 -1.8 27.9 9.7 419 200 B D S S+ 0 0 156 -2,-0.2 2,-0.4 2,-0.1 -1,-0.1 0.554 71.0 106.2 -85.1 -13.7 -3.2 28.0 6.2 420 201 B E - 0 0 59 -7,-0.1 2,-0.3 1,-0.1 -2,-0.1 -0.550 69.8-138.1 -70.2 125.5 0.4 29.0 5.2 421 202 B K - 0 0 110 -2,-0.4 2,-0.7 -274,-0.0 -72,-0.6 -0.612 7.9-131.4 -84.5 142.3 2.2 26.2 3.5 422 203 B V E - t 0 349D 10 -274,-0.3 -274,-2.4 -2,-0.3 -72,-0.2 -0.850 22.7-144.2 -97.6 115.0 5.8 25.5 4.4 423 204 B K E -Nt 147 350D 47 -74,-2.8 -72,-2.8 -2,-0.7 2,-0.5 -0.523 6.5-143.4 -80.2 141.8 7.9 25.1 1.2 424 205 B V E - t 0 351D 3 -278,-3.0 2,-0.4 -2,-0.2 -72,-0.2 -0.894 9.8-164.2-106.8 131.4 10.7 22.5 1.1 425 206 B V E - t 0 352D 15 -74,-3.0 -72,-1.8 -2,-0.5 2,-0.1 -0.955 32.5-108.9-111.5 131.6 13.9 23.3 -0.8 426 207 B H E - t 0 353D 96 -2,-0.4 -72,-0.2 -74,-0.2 -87,-0.1 -0.398 41.9-161.4 -58.9 126.0 16.2 20.3 -1.6 427 208 B G - 0 0 16 -74,-2.4 2,-0.4 -2,-0.1 -72,-0.1 -0.112 20.1 -90.7 -94.3-159.2 19.3 20.7 0.6 428 209 B E > - 0 0 38 1,-0.1 3,-1.4 3,-0.1 -74,-0.1 -0.922 12.5-142.3-120.4 137.7 22.8 19.2 0.4 429 210 B Y T 3 S+ 0 0 115 -2,-0.4 -1,-0.1 1,-0.3 -75,-0.0 0.799 105.6 58.4 -69.6 -24.8 24.0 15.9 2.0 430 211 B S T 3 S+ 0 0 39 1,-0.2 2,-1.8 -99,-0.1 -1,-0.3 0.466 77.7 98.4 -78.8 -1.8 27.3 17.6 2.6 431 212 B N < + 0 0 2 -3,-1.4 -48,-0.3 -100,-0.1 -1,-0.2 -0.343 60.9 160.4 -85.1 60.8 25.6 20.3 4.7 432 213 B I - 0 0 43 -2,-1.8 -101,-0.4 1,-0.1 2,-0.4 -0.333 44.6-111.9 -83.7 160.2 26.4 18.6 8.0 433 214 B K - 0 0 90 -104,-0.1 2,-0.7 -103,-0.1 3,-0.2 -0.732 24.6-146.6 -82.7 135.3 26.5 19.9 11.6 434 215 B I + 0 0 1 -106,-2.6 3,-0.1 -2,-0.4 -179,-0.1 -0.867 53.0 118.6-111.1 100.8 30.0 19.9 13.1 435 216 B T + 0 0 75 -2,-0.7 -1,-0.2 1,-0.0 2,-0.0 0.658 55.2 64.0-124.5 -51.3 29.8 19.2 16.8 436 217 B T S > S- 0 0 62 -3,-0.2 4,-1.3 1,-0.1 3,-0.1 -0.275 86.1-108.8 -81.4 167.6 31.7 16.0 17.7 437 218 B Q H > S+ 0 0 115 1,-0.2 4,-1.4 2,-0.2 -1,-0.1 0.808 118.0 53.5 -64.9 -29.1 35.5 15.4 17.4 438 219 B E H > S+ 0 0 41 2,-0.2 4,-3.2 1,-0.2 -1,-0.2 0.847 99.7 59.6 -79.0 -35.5 35.0 13.0 14.4 439 220 B D H > S+ 0 0 19 2,-0.2 4,-3.6 1,-0.2 -1,-0.2 0.912 103.7 54.3 -53.1 -45.9 32.9 15.5 12.4 440 221 B I H X S+ 0 0 24 -4,-1.3 4,-2.2 2,-0.2 -2,-0.2 0.932 110.6 44.0 -54.3 -52.4 36.0 17.8 12.6 441 222 B I H X S+ 0 0 66 -4,-1.4 4,-1.7 2,-0.2 -2,-0.2 0.946 116.0 47.5 -56.9 -50.5 38.2 15.0 11.1 442 223 B F H X S+ 0 0 28 -4,-3.2 4,-2.4 1,-0.2 -2,-0.2 0.904 111.6 52.3 -56.7 -42.2 35.6 14.2 8.5 443 224 B A H X S+ 0 0 0 -4,-3.6 4,-1.8 1,-0.2 -1,-0.2 0.834 105.4 53.3 -66.3 -35.7 35.3 18.0 7.8 444 225 B N H X S+ 0 0 52 -4,-2.2 4,-1.1 2,-0.2 -1,-0.2 0.857 111.6 46.8 -66.0 -35.4 39.0 18.4 7.3 445 226 B A H X S+ 0 0 25 -4,-1.7 4,-1.1 2,-0.2 -2,-0.2 0.902 107.3 55.7 -73.7 -42.1 38.9 15.6 4.7 446 227 B Y H >< S+ 0 0 71 -4,-2.4 3,-0.8 1,-0.2 -2,-0.2 0.915 105.9 51.9 -56.9 -45.0 35.9 16.9 2.9 447 228 B L H 3< S+ 0 0 83 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.877 105.3 56.5 -56.9 -38.6 37.7 20.3 2.3 448 229 B Q H 3< 0 0 171 -4,-1.1 -1,-0.2 1,-0.2 -2,-0.2 0.725 360.0 360.0 -70.1 -22.8 40.7 18.4 0.9 449 230 B R << 0 0 161 -4,-1.1 -2,-0.2 -3,-0.8 -1,-0.2 0.798 360.0 360.0 -93.9 360.0 38.4 16.8 -1.7