==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 12-SEP-06 2ICK . COMPND 2 MOLECULE: ISOPENTENYL-DIPHOSPHATE DELTA ISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR W.ZHENG,M.BARTLAM,Z.RAO . 220 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10530.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 162 73.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 7.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 42 19.1 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 . 3 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.5 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 . 17 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 46 20.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.8 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 3 0 2 0 0 1 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 1 0 0 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 PARALLEL BRIDGES PER LADDER . 4 1 1 0 1 1 0 0 0 1 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 0 0 0 0 0 0 0 1 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 9 A H 0 0 224 0, 0.0 2,-0.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 -16.5 0.9 13.1 24.9 2 10 A L - 0 0 61 1,-0.2 64,-0.1 2,-0.1 5,-0.1 -0.415 360.0 -69.3 -83.9 162.6 2.8 12.5 28.2 3 11 A D > - 0 0 54 63,-0.3 4,-2.1 62,-0.1 5,-0.2 -0.257 43.4-137.0 -52.3 129.0 2.2 14.2 31.5 4 12 A K H > S+ 0 0 176 1,-0.2 4,-2.5 2,-0.2 5,-0.1 0.884 98.9 49.3 -57.9 -47.9 3.2 17.9 31.3 5 13 A Q H > S+ 0 0 116 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.908 113.5 47.0 -64.0 -38.0 4.9 18.3 34.6 6 14 A Q H > S+ 0 0 2 2,-0.2 4,-0.7 1,-0.2 -1,-0.2 0.878 109.8 54.7 -69.8 -35.6 7.0 15.1 34.0 7 15 A V H >< S+ 0 0 55 -4,-2.1 3,-1.4 1,-0.2 4,-0.3 0.931 104.6 53.8 -62.4 -42.4 7.8 16.4 30.5 8 16 A Q H >< S+ 0 0 149 -4,-2.5 3,-1.3 1,-0.3 -1,-0.2 0.879 103.7 56.2 -61.5 -32.9 9.1 19.6 32.0 9 17 A L H >< S+ 0 0 38 -4,-1.4 3,-1.7 1,-0.3 -1,-0.3 0.659 87.8 78.0 -72.1 -15.2 11.4 17.6 34.3 10 18 A L T << S+ 0 0 21 -3,-1.4 20,-2.2 -4,-0.7 21,-0.3 0.651 85.0 65.0 -67.6 -13.8 12.9 16.0 31.1 11 19 A A T < S+ 0 0 71 -3,-1.3 -1,-0.3 -4,-0.3 -2,-0.2 0.525 73.8 116.2 -84.9 -8.4 14.9 19.2 30.7 12 20 A E S < S- 0 0 40 -3,-1.7 17,-2.4 1,-0.1 2,-0.6 -0.339 71.1-117.9 -60.4 145.4 16.9 18.7 34.0 13 21 A M E -A 28 0A 75 15,-0.2 71,-2.7 16,-0.1 15,-0.2 -0.784 31.5-163.3 -93.4 117.2 20.7 18.3 33.3 14 22 A C E -AB 27 83A 0 13,-3.2 13,-1.7 -2,-0.6 2,-0.7 -0.514 25.0-103.8 -93.6 164.4 22.1 15.0 34.5 15 23 A I E -A 26 0A 0 67,-0.7 30,-2.1 30,-0.4 2,-0.3 -0.800 28.6-146.8 -94.2 116.5 25.7 14.1 35.1 16 24 A L E -AC 25 44A 23 9,-2.1 8,-2.6 -2,-0.7 9,-1.2 -0.608 24.4-179.2 -78.8 142.2 27.3 11.9 32.3 17 25 A I E -A 23 0A 4 26,-2.4 26,-0.3 -2,-0.3 6,-0.2 -0.913 26.7-120.8-138.6 160.7 29.9 9.4 33.6 18 26 A D > - 0 0 56 4,-2.2 3,-1.8 -2,-0.3 6,-0.1 -0.350 53.0 -84.6 -88.4-178.3 32.3 6.8 32.3 19 27 A E T 3 S+ 0 0 122 1,-0.3 -1,-0.1 2,-0.1 198,-0.0 0.629 129.9 55.6 -65.3 -12.4 32.0 3.2 33.5 20 28 A N T 3 S- 0 0 102 2,-0.1 -1,-0.3 122,-0.0 3,-0.1 0.261 120.8-105.8-101.9 14.7 34.2 4.0 36.6 21 29 A D S < S+ 0 0 5 -3,-1.8 2,-0.5 1,-0.3 -2,-0.1 0.813 70.2 147.5 68.2 32.7 31.8 6.8 37.6 22 30 A N - 0 0 85 -4,-0.1 -4,-2.2 1,-0.0 -1,-0.3 -0.854 55.3-111.2 -95.4 135.4 34.2 9.6 36.6 23 31 A K E +A 17 0A 110 -2,-0.5 -6,-0.3 -6,-0.2 3,-0.1 -0.431 44.9 163.6 -66.6 132.8 32.2 12.7 35.4 24 32 A I E - 0 0 106 -8,-2.6 2,-0.3 1,-0.3 -7,-0.2 0.380 58.2 -42.2-129.8 -3.4 32.7 13.3 31.6 25 33 A G E -A 16 0A 17 -9,-1.2 -9,-2.1 2,-0.0 2,-0.3 -0.996 55.2 -92.1 169.1-164.4 29.9 15.6 30.8 26 34 A A E +A 15 0A 41 -2,-0.3 2,-0.3 -11,-0.3 -11,-0.2 -0.986 31.5 170.2-144.9 149.9 26.2 16.6 31.1 27 35 A E E -A 14 0A 54 -13,-1.7 -13,-3.2 -2,-0.3 57,-0.1 -0.981 39.2 -87.0-156.2 154.5 23.1 15.8 29.2 28 36 A T E > -A 13 0A 34 -2,-0.3 4,-2.4 -15,-0.2 -15,-0.2 -0.267 33.9-119.2 -66.7 152.3 19.4 16.3 29.6 29 37 A K H > S+ 0 0 21 -17,-2.4 4,-1.1 -20,-0.2 -18,-0.2 0.873 114.5 57.5 -55.4 -40.3 17.3 13.7 31.5 30 38 A K H >4 S+ 0 0 104 -20,-2.2 3,-1.0 -18,-0.2 -1,-0.2 0.976 110.2 41.4 -54.5 -56.9 15.3 13.1 28.2 31 39 A N H >4 S+ 0 0 50 -21,-0.3 3,-1.1 1,-0.3 -2,-0.2 0.832 110.6 57.5 -63.4 -33.6 18.4 12.2 26.2 32 40 A C H 3< S+ 0 0 0 -4,-2.4 -1,-0.3 1,-0.2 -2,-0.2 0.689 110.4 45.9 -69.6 -20.0 19.9 10.1 29.1 33 41 A H T << S+ 0 0 5 -4,-1.1 105,-2.5 -3,-1.0 2,-0.5 0.273 82.8 107.4-108.7 13.1 16.8 8.0 29.1 34 42 A L B X> -L 137 0B 27 -3,-1.1 4,-2.3 103,-0.2 3,-1.1 -0.795 64.4-143.0 -90.3 127.8 16.3 7.3 25.4 35 43 A N H 3> S+ 0 0 13 101,-2.8 4,-3.0 -2,-0.5 5,-0.2 0.848 100.5 63.5 -56.8 -32.5 17.1 3.7 24.5 36 44 A E H 34 S+ 0 0 129 100,-0.4 4,-0.3 1,-0.2 -1,-0.3 0.839 109.2 38.5 -61.7 -34.5 18.6 5.0 21.3 37 45 A N H X4>S+ 0 0 38 -3,-1.1 5,-1.9 -6,-0.2 3,-0.7 0.825 114.4 53.4 -83.3 -36.1 21.2 6.9 23.2 38 46 A I H ><5S+ 0 0 5 -4,-2.3 3,-3.1 1,-0.2 -2,-0.2 0.919 100.5 62.7 -62.1 -40.7 21.7 4.2 25.8 39 47 A E T 3<5S+ 0 0 155 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.759 103.1 50.9 -55.1 -28.7 22.4 1.7 23.0 40 48 A K T < 5S- 0 0 163 -3,-0.7 -1,-0.3 -4,-0.3 -2,-0.2 0.281 130.8 -93.2 -93.5 8.4 25.4 3.9 22.1 41 49 A G T < 5 + 0 0 48 -3,-3.1 -3,-0.2 1,-0.3 -2,-0.1 0.381 64.1 161.0 102.1 -6.0 26.8 3.9 25.7 42 50 A L < + 0 0 38 -5,-1.9 2,-0.4 -11,-0.1 -1,-0.3 -0.312 17.4 177.8 -55.9 124.6 25.3 7.0 27.2 43 51 A L - 0 0 6 -26,-0.3 -26,-2.4 -2,-0.0 2,-0.3 -0.994 9.2-171.9-137.1 135.9 25.5 6.5 31.0 44 52 A H E -Cd 16 141A 0 96,-1.8 98,-1.5 -2,-0.4 2,-0.3 -0.889 26.6-104.9-129.5 162.9 24.6 8.8 33.9 45 53 A R E + d 0 142A 4 -30,-2.1 -30,-0.4 -2,-0.3 2,-0.3 -0.598 44.7 159.7 -85.6 141.3 24.9 9.0 37.7 46 54 A A E - d 0 143A 0 96,-2.2 98,-2.8 -2,-0.3 2,-0.3 -0.869 24.6-139.6-146.9 178.1 21.9 8.3 39.9 47 55 A F E -Ed 80 144A 1 33,-2.1 33,-1.8 96,-0.3 2,-0.4 -0.978 0.3-155.5-143.7 157.5 20.9 7.3 43.4 48 56 A S E -Ed 79 145A 0 96,-2.4 98,-2.8 -2,-0.3 2,-0.4 -0.990 15.3-151.5-135.1 121.0 18.4 5.0 45.1 49 57 A V E -Ed 78 146A 0 29,-3.4 29,-1.2 -2,-0.4 2,-0.5 -0.812 8.1-167.7 -98.5 135.6 17.3 5.7 48.7 50 58 A F E - d 0 147A 0 96,-2.7 98,-2.3 -2,-0.4 2,-0.5 -0.981 14.0-169.5-119.9 112.7 16.1 2.9 51.1 51 59 A L E - d 0 148A 0 -2,-0.5 8,-2.8 8,-0.4 2,-0.3 -0.930 4.2-173.7-111.1 126.2 14.5 4.5 54.1 52 60 A F E -Fd 58 149A 2 96,-2.9 98,-2.1 -2,-0.5 6,-0.2 -0.894 11.5-144.8-116.6 144.2 13.6 2.5 57.2 53 61 A N > - 0 0 19 4,-2.0 3,-2.1 -2,-0.3 98,-0.1 -0.330 40.6 -86.5 -96.4-176.9 11.6 3.6 60.3 54 62 A T T 3 S+ 0 0 106 1,-0.3 97,-0.0 2,-0.1 -1,-0.0 0.767 128.4 60.4 -60.3 -28.2 12.1 2.6 64.0 55 63 A E T 3 S- 0 0 138 2,-0.1 -1,-0.3 1,-0.0 3,-0.1 0.401 116.7-117.3 -80.1 5.1 9.9 -0.4 63.4 56 64 A N < + 0 0 59 -3,-2.1 2,-0.3 1,-0.3 113,-0.1 0.754 67.3 141.9 65.2 26.7 12.4 -1.6 60.8 57 65 A K - 0 0 61 111,-0.1 -4,-2.0 112,-0.0 2,-0.4 -0.754 49.3-126.6 -98.1 146.9 9.9 -1.3 58.0 58 66 A L E -FG 52 167A 0 109,-2.3 109,-2.3 -2,-0.3 2,-0.7 -0.782 17.1-127.2 -96.7 136.0 11.0 -0.1 54.6 59 67 A L E - G 0 166A 0 -8,-2.8 18,-0.5 -2,-0.4 -8,-0.4 -0.721 31.9-176.9 -87.0 116.7 9.2 2.8 52.9 60 68 A L E - G 0 165A 1 105,-3.0 105,-2.0 -2,-0.7 2,-0.3 -0.723 9.0-158.8-109.3 159.5 8.1 1.9 49.4 61 69 A Q E -HG 75 164A 4 14,-1.9 14,-2.0 -2,-0.3 2,-0.6 -0.932 15.7-136.3-131.4 156.7 6.3 4.0 46.8 62 70 A Q E -HG 74 163A 36 101,-2.8 100,-2.3 -2,-0.3 101,-0.8 -0.980 34.6-121.0-111.7 118.9 4.2 3.2 43.8 63 71 A R E - G 0 161A 14 10,-2.8 9,-0.7 -2,-0.6 98,-0.3 -0.330 31.7-109.0 -59.3 140.6 5.3 5.4 40.9 64 72 A S > - 0 0 4 96,-2.1 8,-1.4 7,-0.2 3,-0.9 -0.093 23.9-110.7 -64.2 165.7 2.5 7.5 39.5 65 73 A D T 3 S+ 0 0 110 6,-0.2 -62,-0.1 1,-0.2 -1,-0.1 0.555 114.7 67.0 -76.5 -6.6 1.0 6.8 36.1 66 74 A A T 3 S+ 0 0 22 93,-0.3 -63,-0.3 -64,-0.1 -1,-0.2 0.637 71.2 109.3 -85.8 -16.8 2.6 10.1 34.9 67 75 A K < - 0 0 14 -3,-0.9 93,-0.0 1,-0.2 -64,-0.0 -0.404 63.9-146.1 -62.9 134.4 6.2 8.9 35.3 68 76 A I S S+ 0 0 18 2,-0.1 2,-0.4 -2,-0.1 -1,-0.2 0.875 84.3 51.9 -72.2 -37.2 7.7 8.4 31.8 69 77 A T S S- 0 0 14 1,-0.2 69,-0.1 64,-0.0 -1,-0.0 -0.855 128.7 -13.7-100.8 138.5 9.8 5.5 32.8 70 78 A F S > S- 0 0 21 -2,-0.4 3,-1.3 67,-0.1 -1,-0.2 0.848 80.8-162.3 38.6 59.0 8.2 2.5 34.6 71 79 A P T 3 + 0 0 46 0, 0.0 -6,-0.2 0, 0.0 -7,-0.2 -0.340 68.2 13.9 -67.0 151.9 4.9 4.2 35.5 72 80 A G T 3 S+ 0 0 4 -8,-1.4 113,-0.4 -9,-0.7 2,-0.3 0.552 91.8 140.0 64.0 9.3 2.8 2.5 38.2 73 81 A C < - 0 0 10 -3,-1.3 -10,-2.8 -9,-0.2 113,-0.3 -0.634 53.6-125.1 -86.8 140.9 5.7 0.3 39.4 74 82 A F E +Hi 62 186A 37 111,-2.9 113,-1.6 -2,-0.3 2,-0.3 -0.622 47.0 150.6 -79.0 146.4 6.3 -0.4 43.1 75 83 A T E -H 61 0A 1 -14,-2.0 -14,-1.9 -2,-0.2 4,-0.0 -0.933 44.4 -61.7-162.8 177.6 9.9 0.5 44.1 76 84 A N S S- 0 0 0 -2,-0.3 -15,-0.2 -16,-0.2 -26,-0.2 -0.089 70.2 -74.3 -68.9 174.8 12.1 1.6 47.0 77 85 A T S S- 0 0 0 -18,-0.5 2,-0.3 -28,-0.2 -27,-0.2 0.768 103.5 -16.2 -39.7 -50.5 11.8 5.0 48.8 78 86 A C E -E 49 0A 0 -29,-1.2 -29,-3.4 -17,-0.0 2,-0.4 -0.965 53.6-174.5-162.9 141.8 13.1 7.3 46.1 79 87 A C E +E 48 0A 15 -2,-0.3 2,-0.2 -31,-0.2 -31,-0.2 -0.995 30.7 117.8-142.5 130.9 15.2 7.0 43.1 80 88 A S E -E 47 0A 8 -33,-1.8 -33,-2.1 -2,-0.4 21,-0.1 -0.831 50.0 -86.6-163.2-153.5 16.5 10.0 41.1 81 89 A H - 0 0 8 -2,-0.2 2,-0.2 -35,-0.2 -35,-0.2 -0.990 25.1-117.1-141.9 146.3 19.6 11.8 39.9 82 90 A P - 0 0 0 0, 0.0 -67,-0.7 0, 0.0 2,-0.2 -0.580 42.1-124.1 -75.4 146.5 22.0 14.4 41.0 83 91 A L B -B 14 0A 28 -2,-0.2 2,-2.1 13,-0.2 -69,-0.2 -0.527 19.0-106.2 -91.3 157.2 21.9 17.4 38.7 84 92 A S S S+ 0 0 41 -71,-2.7 -70,-0.1 -2,-0.2 -1,-0.1 -0.532 81.0 109.5 -84.8 72.9 24.8 18.9 36.9 85 93 A N S > S- 0 0 55 -2,-2.1 4,-1.8 1,-0.0 3,-0.3 -0.917 85.0 -95.5-136.6 163.7 25.2 22.0 39.1 86 94 A P H > S+ 0 0 118 0, 0.0 4,-0.6 0, 0.0 3,-0.2 0.880 120.4 50.6 -48.0 -45.6 27.9 23.0 41.6 87 95 A A H 4 S+ 0 0 45 1,-0.2 3,-0.2 2,-0.2 12,-0.2 0.899 118.5 34.4 -62.0 -43.8 26.0 21.6 44.6 88 96 A E H 4 S+ 0 0 12 -3,-0.3 -1,-0.2 1,-0.2 12,-0.1 0.521 107.2 64.8 -95.8 -4.9 25.2 18.2 43.2 89 97 A L H < S+ 0 0 50 -4,-1.8 -1,-0.2 -3,-0.2 -2,-0.2 0.611 74.0 125.2 -84.1 -16.4 28.4 17.6 41.2 90 98 A E < - 0 0 72 -4,-0.6 6,-2.5 -5,-0.3 7,-0.4 -0.207 40.2-173.6 -50.5 114.8 30.3 17.6 44.6 91 99 A E > + 0 0 91 4,-0.2 3,-1.9 3,-0.1 2,-0.4 0.660 44.5 114.6 -87.0 -17.6 32.3 14.4 44.8 92 100 A S G > S- 0 0 70 1,-0.3 3,-1.8 2,-0.2 4,-0.1 -0.419 103.9 -19.3 -62.3 114.5 33.6 14.8 48.4 93 101 A D G 3 S- 0 0 133 -2,-0.4 -1,-0.3 1,-0.3 30,-0.1 0.790 115.9 -73.5 58.2 31.1 32.1 12.0 50.5 94 102 A A G <> S+ 0 0 8 -3,-1.9 4,-2.1 1,-0.1 -1,-0.3 0.815 89.2 152.5 53.4 32.3 29.4 11.7 47.8 95 103 A L H <> + 0 0 43 -3,-1.8 4,-2.6 1,-0.2 5,-0.2 0.881 62.9 56.8 -61.9 -37.6 27.9 14.9 49.1 96 104 A G H > S+ 0 0 0 -6,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.932 109.8 45.1 -58.7 -47.8 26.4 16.0 45.8 97 105 A V H > S+ 0 0 5 -7,-0.4 4,-2.1 2,-0.2 -1,-0.2 0.875 112.5 50.7 -64.1 -39.1 24.4 12.8 45.6 98 106 A R H X S+ 0 0 49 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.896 110.5 50.1 -69.7 -33.9 23.3 13.0 49.3 99 107 A R H X S+ 0 0 86 -4,-2.6 4,-2.4 -5,-0.2 -1,-0.2 0.893 110.7 49.9 -65.8 -39.2 22.2 16.6 48.6 100 108 A A H X S+ 0 0 0 -4,-2.0 4,-2.4 -5,-0.2 5,-0.2 0.869 109.5 51.6 -66.9 -36.7 20.2 15.4 45.6 101 109 A A H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 5,-0.2 0.937 109.3 49.2 -64.9 -46.7 18.7 12.7 47.7 102 110 A Q H X S+ 0 0 40 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.935 112.1 50.1 -56.9 -44.8 17.6 15.2 50.3 103 111 A R H X S+ 0 0 59 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.917 114.5 41.9 -61.4 -45.5 16.1 17.4 47.5 104 112 A R H X>S+ 0 0 13 -4,-2.4 4,-3.1 2,-0.2 5,-0.6 0.791 106.7 61.2 -75.3 -29.6 14.1 14.6 45.9 105 113 A L H X>S+ 0 0 0 -4,-2.4 4,-1.6 -5,-0.2 6,-1.6 0.939 112.2 41.0 -61.3 -41.8 12.9 13.2 49.2 106 114 A K H X5S+ 0 0 100 -4,-1.9 4,-1.2 4,-0.3 -2,-0.2 0.946 117.2 47.0 -69.4 -48.5 11.3 16.5 49.8 107 115 A A H <5S+ 0 0 43 -4,-2.3 50,-0.2 -5,-0.2 -2,-0.2 0.880 124.1 29.8 -63.5 -38.3 10.0 16.9 46.2 108 116 A E H <5S+ 0 0 4 -4,-3.1 49,-2.0 48,-0.1 53,-0.2 0.921 135.6 21.5 -88.0 -47.8 8.6 13.4 45.8 109 117 A L H <> - 0 0 38 0, 0.0 3,-1.8 0, 0.0 4,-0.9 -0.269 19.1-126.1 -55.2 138.1 11.0 18.2 55.1 113 121 A L G >4 S+ 0 0 55 1,-0.3 3,-0.9 2,-0.2 -2,-0.0 0.887 109.8 59.8 -50.4 -40.8 14.5 19.1 54.0 114 122 A E G 34 S+ 0 0 144 1,-0.2 -1,-0.3 2,-0.1 -3,-0.0 0.688 98.7 55.5 -63.1 -22.4 15.4 19.4 57.7 115 123 A E G <4 S+ 0 0 36 -3,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.750 116.5 35.7 -82.6 -24.8 14.5 15.8 58.5 116 124 A V S << S+ 0 0 0 -4,-0.9 -1,-0.2 -3,-0.9 -2,-0.1 -0.327 74.7 160.1-126.6 51.5 16.9 14.4 55.9 117 125 A P > - 0 0 17 0, 0.0 3,-2.7 0, 0.0 4,-0.5 -0.273 59.8 -94.9 -66.2 160.9 20.0 16.6 55.7 118 126 A P G > S+ 0 0 18 0, 0.0 3,-1.7 0, 0.0 -19,-0.0 0.816 122.6 65.4 -47.9 -34.7 23.1 15.0 54.1 119 127 A E G 3 S+ 0 0 141 1,-0.3 -3,-0.0 3,-0.1 -21,-0.0 0.691 100.1 51.5 -65.7 -17.6 24.4 13.9 57.4 120 128 A E G < S+ 0 0 84 -3,-2.7 2,-0.7 -22,-0.1 29,-0.5 0.475 93.8 88.4 -93.7 -3.3 21.5 11.5 57.9 121 129 A I < - 0 0 3 -3,-1.7 2,-0.6 -4,-0.5 27,-0.2 -0.853 65.3-157.0-105.3 111.3 22.0 9.9 54.5 122 130 A N E -J 147 0A 64 25,-2.8 25,-3.2 -2,-0.7 2,-0.6 -0.787 5.8-147.6 -95.1 120.1 24.3 7.0 54.4 123 131 A Y E +J 146 0A 19 -2,-0.6 23,-0.2 23,-0.2 3,-0.1 -0.720 22.5 171.3 -84.5 115.5 26.1 6.0 51.2 124 132 A L E - 0 0 0 21,-3.0 89,-3.0 -2,-0.6 2,-0.3 0.927 50.4 -47.8 -91.3 -61.7 26.6 2.3 51.1 125 133 A T E -J 145 0A 2 20,-0.7 20,-3.2 87,-0.2 2,-0.4 -0.921 49.9 -99.5-160.5-173.8 27.8 1.3 47.6 126 134 A R E -Jk 144 217A 27 90,-0.8 92,-2.4 87,-0.4 2,-0.4 -0.949 22.5-166.8-125.0 144.5 27.3 1.7 43.8 127 135 A I E -Jk 143 218A 4 16,-2.0 16,-3.5 -2,-0.4 2,-0.5 -0.989 9.9-149.8-129.0 138.8 25.6 -0.6 41.3 128 136 A H E +Jk 142 219A 18 90,-3.1 92,-2.8 -2,-0.4 2,-0.3 -0.936 31.4 153.3-109.5 126.7 25.8 -0.4 37.5 129 137 A Y E -J 141 0A 5 12,-2.1 12,-2.0 -2,-0.5 2,-0.3 -0.982 28.7-154.5-149.7 162.0 22.7 -1.6 35.5 130 138 A K E +J 140 0A 120 -2,-0.3 2,-0.3 10,-0.2 10,-0.2 -0.994 22.7 156.4-138.0 140.8 20.8 -1.1 32.3 131 139 A A E -J 139 0A 20 8,-2.3 8,-2.5 -2,-0.3 2,-0.4 -0.972 32.7-125.7-156.0 166.4 17.1 -1.7 31.5 132 140 A Q E -J 138 0A 137 -2,-0.3 6,-0.3 6,-0.3 3,-0.1 -0.983 9.4-171.7-121.5 136.7 14.3 -0.7 29.1 133 141 A S S S- 0 0 33 4,-2.5 2,-0.2 -2,-0.4 5,-0.2 0.845 76.9 -28.2 -87.4 -45.9 10.9 0.6 30.3 134 142 A D S S- 0 0 70 3,-2.4 -1,-0.3 -64,-0.0 -99,-0.1 -0.801 85.6 -66.0-151.4-165.5 9.5 0.4 26.8 135 143 A G S S+ 0 0 73 -2,-0.2 3,-0.1 1,-0.2 -100,-0.0 0.777 132.0 27.0 -64.5 -24.4 10.5 0.6 23.2 136 144 A I S S+ 0 0 102 1,-0.1 -101,-2.8 -101,-0.1 -100,-0.4 0.826 115.8 53.2-103.2 -47.2 11.5 4.2 23.6 137 145 A W B +L 34 0B 27 -103,-0.2 -4,-2.5 -69,-0.1 -3,-2.4 -0.758 57.9 136.0-103.5 148.5 12.5 4.8 27.2 138 146 A G E - J 0 132A 0 -105,-2.5 2,-0.3 -2,-0.3 -6,-0.3 -0.852 37.9-102.2-162.4-167.5 15.0 3.1 29.5 139 147 A E E + J 0 131A 7 -8,-2.5 -8,-2.3 -2,-0.2 2,-0.2 -0.954 21.8 169.7-136.0 151.5 17.7 3.4 32.1 140 148 A H E + J 0 130A 14 -2,-0.3 -96,-1.8 -10,-0.2 2,-0.3 -0.723 31.9 142.0-161.8 104.5 21.5 3.1 32.2 141 149 A E E -dJ 44 129A 7 -12,-2.0 -12,-2.1 -2,-0.2 2,-0.7 -0.960 55.9-130.5-146.3 162.4 23.1 4.2 35.5 142 150 A I E -dJ 45 128A 0 -98,-1.5 -96,-2.2 -2,-0.3 2,-0.5 -0.986 46.1-154.0-112.5 110.9 25.7 3.8 38.1 143 151 A D E -dJ 46 127A 1 -16,-3.5 -16,-2.0 -2,-0.7 2,-0.6 -0.827 11.5-142.8 -99.2 122.0 23.4 4.0 41.1 144 152 A Y E -dJ 47 126A 9 -98,-2.8 -96,-2.4 -2,-0.5 2,-0.6 -0.722 19.0-141.6 -82.5 117.9 24.5 5.2 44.5 145 153 A I E -dJ 48 125A 0 -20,-3.2 -21,-3.0 -2,-0.6 -20,-0.7 -0.737 23.4-173.0 -85.9 122.6 22.7 3.1 47.1 146 154 A L E -dJ 49 123A 0 -98,-2.8 -96,-2.7 -2,-0.6 2,-0.4 -0.919 9.7-155.7-118.6 140.7 21.8 5.4 50.1 147 155 A L E -dJ 50 122A 3 -25,-3.2 -25,-2.8 -2,-0.4 2,-0.4 -0.940 8.2-174.4-122.2 136.8 20.2 4.3 53.4 148 156 A V E -d 51 0A 1 -98,-2.3 -96,-2.9 -2,-0.4 2,-0.5 -0.993 7.5-167.0-129.8 135.3 18.2 6.5 55.8 149 157 A R E +d 52 0A 104 -29,-0.5 2,-0.3 -2,-0.4 -96,-0.2 -0.951 42.0 108.8-124.8 107.3 16.9 5.5 59.2 150 158 A K - 0 0 64 -98,-2.1 2,-1.2 -2,-0.5 -2,-0.1 -0.943 68.9-114.1-174.7 152.2 14.3 7.9 60.6 151 159 A N - 0 0 95 -2,-0.3 -98,-0.1 -98,-0.1 -2,-0.0 -0.659 52.0-177.3 -96.9 77.3 10.6 8.4 61.4 152 160 A V - 0 0 16 -2,-1.2 2,-0.4 1,-0.1 -41,-0.1 -0.152 26.2-120.4 -73.4 165.7 9.9 11.1 58.8 153 161 A T - 0 0 79 -41,-0.1 2,-0.3 -43,-0.1 -1,-0.1 -0.828 31.1-147.6-104.0 150.9 6.7 12.9 58.0 154 162 A L + 0 0 43 -2,-0.4 -44,-0.2 -43,-0.1 -43,-0.1 -0.917 35.1 158.6-126.6 147.1 5.2 12.6 54.6 155 163 A N - 0 0 127 -46,-3.3 -45,-0.0 -2,-0.3 -2,-0.0 -0.395 33.6-162.3-159.6 67.5 3.2 14.8 52.2 156 164 A P - 0 0 35 0, 0.0 -47,-0.3 0, 0.0 -48,-0.1 -0.083 21.0-119.6 -61.3 153.0 3.8 13.2 48.7 157 165 A D >> - 0 0 58 -49,-2.0 4,-2.1 -50,-0.2 3,-2.0 -0.851 17.0-148.9 -92.2 115.6 3.2 14.9 45.4 158 166 A P T 34 S+ 0 0 105 0, 0.0 -1,-0.1 0, 0.0 -50,-0.0 0.697 96.4 66.4 -60.8 -19.2 0.6 12.7 43.5 159 167 A N T 34 S+ 0 0 24 1,-0.1 -93,-0.3 -95,-0.1 3,-0.1 0.813 111.5 35.5 -70.3 -25.7 2.2 13.7 40.2 160 168 A E T <4 S+ 0 0 7 -3,-2.0 -96,-2.1 1,-0.3 2,-0.4 0.842 129.0 18.2 -94.0 -43.3 5.2 11.7 41.4 161 169 A I E < -G 63 0A 7 -4,-2.1 -1,-0.3 -98,-0.3 -98,-0.2 -0.988 47.6-161.5-135.0 144.0 3.7 8.8 43.3 162 170 A K E S- 0 0 100 -100,-2.3 2,-0.3 -2,-0.4 -99,-0.1 0.365 80.2 -4.8-102.1 5.2 0.2 7.3 43.4 163 171 A S E -G 62 0A 53 -101,-0.8 -101,-2.8 2,-0.0 2,-0.3 -0.906 55.3-158.7 175.5 157.5 0.8 5.5 46.7 164 172 A Y E +G 61 0A 110 -2,-0.3 2,-0.3 -103,-0.3 -103,-0.2 -0.982 10.5 176.4-147.7 157.1 3.2 4.7 49.5 165 173 A C E -G 60 0A 46 -105,-2.0 -105,-3.0 -2,-0.3 2,-0.5 -0.957 29.0-129.5-164.1 141.1 3.5 2.0 52.3 166 174 A Y E -G 59 0A 56 -2,-0.3 2,-0.4 -107,-0.2 -107,-0.2 -0.795 36.9-168.9 -87.7 133.1 5.9 0.9 55.0 167 175 A V E -G 58 0A 10 -109,-2.3 -109,-2.3 -2,-0.5 2,-0.1 -0.955 17.6-135.6-128.8 146.9 6.4 -2.9 54.7 168 176 A S > - 0 0 24 -2,-0.4 4,-2.2 -111,-0.2 5,-0.2 -0.358 41.7 -96.4 -84.4 175.8 8.0 -5.5 56.9 169 177 A K H > S+ 0 0 69 1,-0.2 4,-1.9 2,-0.2 3,-0.1 0.960 127.5 47.1 -58.3 -50.6 10.4 -8.1 55.5 170 178 A E H > S+ 0 0 154 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.861 110.2 53.0 -60.5 -35.6 7.5 -10.6 55.2 171 179 A E H > S+ 0 0 89 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.889 106.5 52.7 -68.9 -35.4 5.3 -8.1 53.6 172 180 A L H X S+ 0 0 0 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.869 107.1 54.0 -66.0 -34.6 8.0 -7.3 51.0 173 181 A K H X S+ 0 0 113 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.903 106.8 48.5 -67.2 -40.8 8.1 -11.0 50.2 174 182 A E H X S+ 0 0 114 -4,-1.8 4,-1.5 1,-0.2 -1,-0.2 0.885 112.6 52.3 -65.2 -34.2 4.4 -11.3 49.5 175 183 A L H X S+ 0 0 22 -4,-1.7 4,-1.0 1,-0.2 -2,-0.2 0.932 107.6 49.0 -65.5 -47.5 4.8 -8.2 47.4 176 184 A L H X S+ 0 0 44 -4,-2.6 4,-1.7 1,-0.2 -1,-0.2 0.828 108.8 54.0 -62.7 -32.7 7.7 -9.7 45.3 177 185 A K H X S+ 0 0 144 -4,-1.9 4,-1.2 1,-0.2 -1,-0.2 0.860 105.4 53.2 -69.7 -36.1 5.7 -12.9 44.7 178 186 A K H <>S+ 0 0 68 -4,-1.5 5,-1.7 1,-0.2 6,-1.6 0.742 108.0 51.9 -70.4 -21.5 2.8 -10.8 43.4 179 187 A A H ><5S+ 0 0 20 -4,-1.0 3,-1.4 4,-0.2 -2,-0.2 0.860 104.5 55.0 -80.5 -36.6 5.3 -9.2 41.0 180 188 A A H 3<5S+ 0 0 92 -4,-1.7 -2,-0.2 1,-0.3 -1,-0.2 0.785 106.1 53.4 -65.5 -25.7 6.5 -12.6 39.8 181 189 A S T 3<5S- 0 0 81 -4,-1.2 -1,-0.3 -5,-0.1 -2,-0.2 0.482 115.4-115.1 -87.8 -2.5 2.8 -13.5 39.0 182 190 A G T < 5S+ 0 0 63 -3,-1.4 -3,-0.2 2,-0.3 -2,-0.1 0.627 85.0 122.4 77.6 10.8 2.5 -10.4 36.9 183 191 A E S - 0 0 0 -113,-1.6 4,-2.0 -2,-0.3 5,-0.1 -0.339 28.7-117.4 -75.1 160.4 11.2 -1.4 38.8 188 196 A P H > S+ 0 0 23 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.888 112.6 51.6 -66.5 -37.7 14.4 -3.0 37.5 189 197 A W H > S+ 0 0 7 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.897 111.2 47.1 -67.6 -36.6 16.7 -1.4 40.1 190 198 A F H > S+ 0 0 0 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.900 111.0 52.7 -68.5 -41.2 14.5 -2.5 43.1 191 199 A K H X S+ 0 0 140 -4,-2.0 4,-1.7 2,-0.2 -2,-0.2 0.942 111.4 46.7 -57.8 -48.6 14.3 -6.0 41.6 192 200 A I H X S+ 0 0 37 -4,-2.3 4,-0.6 2,-0.2 5,-0.3 0.921 116.1 42.6 -61.3 -48.3 18.1 -6.2 41.4 193 201 A I H >X>S+ 0 0 2 -4,-2.3 5,-2.8 1,-0.2 4,-1.2 0.918 113.6 52.9 -67.9 -40.7 18.8 -4.8 44.9 194 202 A A H 3<5S+ 0 0 10 -4,-3.0 5,-0.4 1,-0.3 -1,-0.2 0.831 110.9 47.6 -63.4 -31.8 16.0 -7.0 46.4 195 203 A A H 3<5S+ 0 0 84 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.568 127.8 20.5 -87.8 -5.4 17.5 -10.1 44.8 196 204 A T H <<5S+ 0 0 46 -3,-1.0 -3,-0.2 -4,-0.6 -2,-0.2 0.736 131.8 2.4-124.7 -60.6 21.1 -9.3 46.0 197 205 A F T >X5S+ 0 0 28 -4,-1.2 4,-2.3 -5,-0.3 3,-0.9 0.747 97.2 87.7-109.1 -29.2 21.7 -7.0 48.9 198 206 A L H 3> S+ 0 0 54 -5,-0.4 4,-0.9 -6,-0.2 -1,-0.3 0.774 112.6 55.2 -64.4 -25.8 17.8 -8.5 52.9 200 208 A K H X> S+ 0 0 114 -3,-0.9 4,-0.8 2,-0.2 3,-0.8 0.963 113.0 42.3 -68.5 -51.7 21.4 -8.7 54.0 201 209 A W H >< S+ 0 0 8 -4,-2.3 3,-1.4 1,-0.2 -2,-0.2 0.928 109.0 59.3 -58.0 -46.8 21.4 -5.0 54.8 202 210 A W H >< S+ 0 0 1 -4,-2.9 3,-0.6 1,-0.3 -1,-0.2 0.746 103.9 51.9 -57.1 -25.9 18.0 -5.2 56.4 203 211 A D H << S+ 0 0 109 -4,-0.9 -1,-0.3 -3,-0.8 -2,-0.2 0.717 115.8 39.7 -83.6 -20.3 19.4 -7.8 58.9 204 212 A N T X< + 0 0 59 -3,-1.4 3,-1.7 -4,-0.8 -1,-0.2 -0.119 66.7 137.8-118.8 34.3 22.3 -5.5 59.9 205 213 A L T < S+ 0 0 1 -3,-0.6 3,-0.3 1,-0.3 -1,-0.1 0.724 80.3 48.4 -52.9 -20.4 20.5 -2.1 60.0 206 214 A N T 3 S+ 0 0 110 1,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.649 119.6 35.5 -93.0 -19.6 22.5 -1.5 63.2 207 215 A H X + 0 0 127 -3,-1.7 3,-0.6 -6,-0.2 -1,-0.2 -0.502 63.9 143.5-133.2 65.4 25.9 -2.6 61.8 208 216 A L T 3 + 0 0 20 -3,-0.3 3,-0.2 1,-0.2 -1,-0.1 0.213 49.5 93.6 -92.1 19.7 26.1 -1.6 58.1 209 217 A N T > S+ 0 0 141 1,-0.2 3,-1.4 2,-0.2 -1,-0.2 0.872 84.8 52.6 -73.0 -39.7 29.8 -0.7 58.3 210 218 A Q T < S+ 0 0 170 -3,-0.6 -1,-0.2 1,-0.3 -2,-0.1 0.613 109.0 53.0 -71.2 -10.5 30.6 -4.2 57.1 211 219 A F T 3 S+ 0 0 57 -3,-0.2 2,-0.4 -7,-0.1 -1,-0.3 0.247 84.7 103.8-108.3 10.6 28.3 -3.5 54.2 212 220 A V < + 0 0 51 -3,-1.4 2,-0.3 -87,-0.0 -87,-0.2 -0.780 38.2 168.1 -94.4 134.1 29.9 -0.3 53.0 213 221 A D + 0 0 41 -89,-3.0 -87,-0.4 -2,-0.4 -3,-0.0 -0.761 11.9 165.9-150.8 97.6 32.0 -0.4 49.9 214 222 A H S S+ 0 0 77 -2,-0.3 -89,-0.1 -89,-0.1 -1,-0.1 0.334 76.3 57.8 -91.9 2.8 33.0 2.9 48.3 215 223 A E S S+ 0 0 163 1,-0.1 2,-0.2 -89,-0.0 -1,-0.1 0.865 93.3 63.2 -99.5 -49.0 35.6 1.2 46.1 216 224 A K - 0 0 113 1,-0.0 -90,-0.8 2,-0.0 2,-0.6 -0.555 61.2-152.8 -85.6 141.6 33.8 -1.4 44.0 217 225 A I E -k 126 0A 16 -2,-0.2 2,-0.5 -92,-0.1 -90,-0.2 -0.964 24.0-136.6-108.0 113.6 31.1 -0.7 41.4 218 226 A Y E -k 127 0A 53 -92,-2.4 -90,-3.1 -2,-0.6 2,-0.8 -0.627 11.0-143.4 -75.9 123.1 28.9 -3.9 41.3 219 227 A R E k 128 0A 117 -2,-0.5 -90,-0.2 -92,-0.2 -1,-0.1 -0.782 360.0 360.0 -93.6 108.4 28.0 -4.8 37.7 220 228 A M 0 0 104 -92,-2.8 -90,-0.2 -2,-0.8 -1,-0.1 0.046 360.0 360.0-102.7 360.0 24.5 -6.1 37.6