==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 19-OCT-09 3KAI . COMPND 2 MOLECULE: PEPTIDYL-PROLYL CIS-TRANS ISOMERASE NIMA- . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR L.M.BAKER,P.DOKURNO,D.A.ROBINSON,A.E.SURGENOR,J.B.MURRAY, . 145 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8310.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 88 60.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 30 20.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 1.4 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 1.4 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 4.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 13 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 30 20.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 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 0 0 0 0 1 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 PARALLEL BRIDGES PER LADDER . 2 1 1 1 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 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 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 7 A L 0 0 158 0, 0.0 3,-0.4 0, 0.0 4,-0.3 0.000 360.0 360.0 360.0 38.2 29.7 -42.6 22.6 2 8 A P > - 0 0 39 0, 0.0 3,-1.4 0, 0.0 121,-0.0 0.264 360.0 -32.4 -35.7 162.3 32.3 -41.3 20.0 3 9 A P T 3 S- 0 0 101 0, 0.0 19,-0.2 0, 0.0 0, 0.0 -0.013 131.5 -7.7 -41.9 103.3 34.9 -38.5 20.9 4 10 A G T 3 S+ 0 0 15 -3,-0.4 17,-2.2 1,-0.3 18,-0.4 0.576 87.3 139.5 100.6 20.3 33.0 -36.3 23.5 5 11 A W E < +A 20 0A 25 -3,-1.4 2,-0.3 -4,-0.3 -1,-0.3 -0.735 20.0 174.8-102.6 138.9 29.3 -37.3 23.7 6 12 A E E -A 19 0A 102 13,-2.1 13,-2.6 -2,-0.3 2,-0.4 -0.944 31.3-113.8-135.1 161.7 27.2 -37.6 26.9 7 13 A K E +A 18 0A 123 -2,-0.3 2,-0.3 11,-0.2 11,-0.2 -0.766 38.9 174.9 -97.9 137.4 23.5 -38.3 27.5 8 14 A A E -A 17 0A 17 9,-2.7 9,-2.0 -2,-0.4 2,-0.4 -0.782 27.6-116.8-133.6 179.1 21.5 -35.5 28.9 9 15 A M E -A 16 0A 103 -2,-0.3 7,-0.3 7,-0.2 6,-0.1 -0.985 30.5-113.4-126.0 127.1 17.8 -34.9 29.8 10 16 A S > - 0 0 21 5,-3.1 4,-1.3 -2,-0.4 6,-0.0 -0.339 16.2-153.4 -58.1 133.9 15.7 -32.2 28.1 11 17 A R T 4 S+ 0 0 242 2,-0.2 -1,-0.2 1,-0.1 0, 0.0 0.833 95.0 45.7 -79.1 -33.3 14.8 -29.5 30.6 12 18 A S T 4 S+ 0 0 125 1,-0.1 -1,-0.1 3,-0.1 -2,-0.1 0.928 133.8 9.4 -66.2 -48.5 11.6 -28.7 28.6 13 19 A S T 4 S- 0 0 69 2,-0.2 -2,-0.2 0, 0.0 3,-0.1 0.593 86.8-121.8-119.4 -18.4 10.4 -32.2 28.0 14 20 A G < + 0 0 44 -4,-1.3 2,-0.3 1,-0.3 -3,-0.1 0.462 63.5 139.1 81.1 1.6 12.3 -34.8 30.0 15 21 A R - 0 0 133 -6,-0.1 -5,-3.1 1,-0.1 -1,-0.3 -0.628 59.5-107.5 -82.4 138.6 13.4 -36.7 26.9 16 22 A V E +A 9 0A 48 -2,-0.3 2,-0.3 -7,-0.3 -7,-0.2 -0.330 45.6 169.8 -49.8 134.1 16.9 -38.1 26.6 17 23 A Y E -A 8 0A 64 -9,-2.0 -9,-2.7 -2,-0.0 2,-0.4 -0.860 28.9-115.6-140.8-179.2 19.2 -36.2 24.1 18 24 A Y E -AB 7 27A 22 9,-3.0 9,-1.9 -2,-0.3 2,-0.4 -0.946 22.6-167.2-127.9 138.1 22.9 -36.2 23.4 19 25 A F E -AB 6 26A 51 -13,-2.6 -13,-2.1 -2,-0.4 2,-0.6 -0.981 10.9-151.0-129.8 141.5 25.4 -33.4 23.9 20 26 A N E > -A 5 0A 0 5,-2.9 4,-2.0 -2,-0.4 5,-0.4 -0.947 2.1-165.9-116.6 115.8 28.9 -33.1 22.6 21 27 A H T 4 S+ 0 0 118 -17,-2.2 -1,-0.1 -2,-0.6 -16,-0.1 0.558 88.0 53.4 -81.7 -3.9 31.2 -31.0 24.8 22 28 A I T 4 S+ 0 0 54 -18,-0.4 -1,-0.2 -19,-0.2 98,-0.1 0.858 125.9 19.8 -92.8 -38.6 33.9 -30.7 22.1 23 29 A T T 4 S- 0 0 0 -19,-0.1 108,-2.2 2,-0.1 -2,-0.2 0.563 95.2-130.5-103.2 -14.5 31.6 -29.4 19.3 24 30 A N < + 0 0 56 -4,-2.0 2,-0.2 1,-0.3 -3,-0.2 0.677 56.9 148.6 61.8 19.4 28.8 -28.1 21.4 25 31 A A - 0 0 9 -5,-0.4 -5,-2.9 106,-0.2 2,-0.4 -0.544 29.0-165.9 -78.8 147.9 26.4 -30.0 19.2 26 32 A S E +B 19 0A 50 -7,-0.2 2,-0.3 -2,-0.2 -7,-0.2 -0.997 13.2 162.8-133.0 143.0 23.2 -31.4 20.6 27 33 A Q E -B 18 0A 39 -9,-1.9 -9,-3.0 -2,-0.4 -2,-0.0 -0.936 39.7-128.0-148.5 164.3 20.8 -33.9 18.9 28 34 A W S S+ 0 0 118 -2,-0.3 -1,-0.1 -11,-0.2 2,-0.1 0.884 85.6 78.1 -82.8 -42.1 17.9 -36.4 19.9 29 35 A E S S- 0 0 131 1,-0.1 -11,-0.1 -11,-0.1 -2,-0.1 -0.358 95.8 -99.8 -71.3 147.8 19.3 -39.5 18.3 30 36 A R - 0 0 161 1,-0.1 -1,-0.1 -2,-0.1 -2,-0.1 -0.549 61.7 -92.2 -73.2 117.5 22.1 -41.6 19.9 31 37 A P 0 0 15 0, 0.0 -1,-0.1 0, 0.0 -26,-0.0 0.191 360.0 360.0 -46.3 138.3 25.3 -40.4 18.1 32 38 A S 0 0 105 -3,-0.1 -3,-0.0 -31,-0.1 -2,-0.0 -0.733 360.0 360.0 104.1 360.0 27.2 -41.8 15.0 33 ! 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 34 51 A E 0 0 163 0, 0.0 2,-0.1 0, 0.0 89,-0.1 0.000 360.0 360.0 360.0 128.5 39.9 -39.5 13.3 35 52 A P - 0 0 50 0, 0.0 3,-0.1 0, 0.0 87,-0.0 -0.353 360.0-116.8 -84.3 166.1 41.2 -38.5 9.7 36 53 A A S S+ 0 0 84 1,-0.1 74,-0.6 -2,-0.1 2,-0.3 0.785 95.3 16.5 -74.7 -29.9 44.4 -36.7 8.8 37 54 A R E -C 109 0B 129 72,-0.2 2,-0.3 85,-0.0 72,-0.2 -0.973 62.7-168.7-143.5 150.7 42.6 -33.7 7.3 38 55 A V E -C 108 0B 2 70,-2.2 70,-2.6 -2,-0.3 2,-0.4 -0.942 14.9-140.5-136.9 161.9 39.1 -32.1 7.3 39 56 A R E +C 107 0B 81 107,-2.3 106,-3.2 -2,-0.3 107,-1.5 -0.993 27.8 175.0-121.9 130.9 37.4 -29.4 5.4 40 57 A C E - D 0 144B 0 66,-1.3 65,-2.5 -2,-0.4 66,-0.4 -0.945 22.8-156.2-135.0 151.3 35.1 -27.0 7.1 41 58 A S E -CD 104 143B 10 102,-2.4 102,-2.9 -2,-0.3 2,-0.3 -0.803 23.4-172.7-107.9 167.6 33.0 -23.9 6.5 42 59 A H E - D 0 142B 7 61,-1.4 2,-0.5 -2,-0.3 100,-0.2 -0.978 26.6-141.0-154.1 164.9 32.0 -21.5 9.3 43 60 A L E - D 0 141B 0 98,-2.1 98,-1.6 -2,-0.3 2,-0.4 -0.988 26.5-159.7-127.4 116.7 30.0 -18.5 10.1 44 61 A L E - D 0 140B 8 -2,-0.5 51,-3.2 96,-0.2 2,-0.5 -0.867 11.1-168.4 -98.8 129.2 31.8 -16.2 12.5 45 62 A V E - D 0 139B 2 94,-2.9 94,-2.2 -2,-0.4 2,-0.1 -0.969 18.5-155.8-112.4 116.3 30.0 -13.6 14.7 46 63 A K - 0 0 14 -2,-0.5 2,-0.3 92,-0.2 92,-0.2 -0.419 8.8-165.7 -83.4 165.3 32.6 -11.2 16.2 47 64 A H > - 0 0 7 90,-0.3 3,-2.3 -2,-0.1 17,-0.2 -0.854 41.5 -84.9-139.6 178.3 32.1 -9.2 19.4 48 65 A S T 3 S+ 0 0 62 15,-3.0 16,-0.1 1,-0.3 13,-0.1 0.794 126.7 52.0 -58.4 -24.9 33.8 -6.2 21.2 49 66 A Q T 3 S+ 0 0 140 14,-0.3 -1,-0.3 3,-0.1 89,-0.1 0.467 81.7 121.6 -93.2 7.1 36.2 -8.6 22.8 50 67 A S S < S- 0 0 7 -3,-2.3 87,-0.2 87,-0.1 86,-0.1 -0.315 77.1-112.5 -60.1 151.5 37.4 -10.3 19.6 51 68 A R S S+ 0 0 156 85,-2.8 86,-0.1 1,-0.3 -1,-0.1 0.898 115.6 23.2 -43.7 -55.6 41.1 -10.3 18.8 52 69 A R S S- 0 0 146 85,-0.1 2,-2.8 84,-0.1 -1,-0.3 -0.826 76.9-163.5-118.6 92.6 40.3 -8.0 15.7 53 70 A P + 0 0 55 0, 0.0 8,-3.4 0, 0.0 2,-0.3 -0.167 63.3 81.1 -69.7 51.3 37.0 -6.3 16.5 54 71 A S + 0 0 38 -2,-2.8 2,-0.3 6,-0.2 5,-0.2 -0.979 49.9 166.6-151.2 151.9 36.5 -5.3 12.8 55 72 A S B > -G 58 0C 13 3,-2.4 3,-0.7 -2,-0.3 41,-0.1 -0.974 54.3 -88.9-157.7 173.3 35.2 -7.0 9.6 56 73 A W T 3 S+ 0 0 123 -2,-0.3 3,-0.1 1,-0.2 39,-0.1 0.771 126.8 53.8 -55.8 -23.8 34.0 -6.4 6.0 57 74 A R T 3 S+ 0 0 92 1,-0.3 2,-0.3 37,-0.1 -1,-0.2 0.824 123.4 9.9 -80.1 -30.1 30.6 -6.0 7.5 58 75 A Q B < -G 55 0C 78 -3,-0.7 -3,-2.4 1,-0.1 -1,-0.3 -0.941 55.9-145.9-161.2 123.4 31.5 -3.4 10.0 59 76 A E S S+ 0 0 179 -2,-0.3 2,-0.5 1,-0.2 -1,-0.1 0.877 97.9 26.2 -62.0 -42.2 34.5 -1.2 10.7 60 77 A K S S- 0 0 157 -6,-0.1 2,-0.6 -5,-0.0 -1,-0.2 -0.975 77.2-152.3-124.2 113.3 34.1 -1.2 14.5 61 78 A I + 0 0 4 -8,-3.4 -11,-0.1 -2,-0.5 -14,-0.1 -0.791 24.0 165.7 -86.5 124.0 32.3 -4.2 16.0 62 79 A T + 0 0 86 -2,-0.6 -1,-0.1 -16,-0.1 -14,-0.1 0.461 29.5 119.7-119.2 -6.7 30.7 -3.1 19.2 63 80 A R - 0 0 34 -17,-0.1 -15,-3.0 1,-0.1 -14,-0.3 -0.259 65.4-113.4 -64.3 152.6 28.2 -5.9 20.0 64 81 A T > - 0 0 60 -17,-0.2 4,-2.0 -16,-0.1 5,-0.2 -0.403 23.0-110.3 -76.3 161.0 28.8 -7.7 23.3 65 82 A K H > S+ 0 0 91 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.862 121.6 53.0 -53.8 -34.7 29.9 -11.3 23.5 66 83 A E H > S+ 0 0 136 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.883 108.6 48.5 -71.7 -38.8 26.3 -12.2 24.9 67 84 A E H > S+ 0 0 86 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.811 109.3 53.6 -65.9 -37.0 24.7 -10.4 21.9 68 85 A A H X S+ 0 0 0 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.873 107.5 50.7 -63.5 -43.0 27.0 -12.3 19.5 69 86 A L H X S+ 0 0 53 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.880 107.8 52.8 -65.0 -40.7 25.9 -15.6 21.1 70 87 A E H X S+ 0 0 116 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.905 110.7 47.8 -56.3 -43.4 22.2 -14.6 20.7 71 88 A L H X S+ 0 0 67 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.927 112.2 49.3 -63.6 -48.6 22.9 -14.0 17.0 72 89 A I H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.907 110.4 50.7 -52.7 -48.7 24.7 -17.3 16.7 73 90 A N H X S+ 0 0 63 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.899 108.8 50.8 -63.4 -40.8 21.8 -19.2 18.4 74 91 A G H X S+ 0 0 26 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.886 111.0 49.3 -62.2 -40.9 19.2 -17.6 16.0 75 92 A Y H X S+ 0 0 28 -4,-2.0 4,-1.9 1,-0.2 -2,-0.2 0.902 110.4 50.5 -67.3 -39.0 21.3 -18.7 13.0 76 93 A I H X S+ 0 0 21 -4,-2.6 4,-2.6 2,-0.2 5,-0.2 0.896 110.0 50.4 -61.7 -41.5 21.6 -22.2 14.3 77 94 A Q H X S+ 0 0 140 -4,-2.0 4,-2.2 1,-0.2 6,-0.2 0.950 113.0 46.3 -64.0 -49.5 17.8 -22.4 14.9 78 95 A K H X>S+ 0 0 84 -4,-2.5 6,-2.2 1,-0.2 4,-0.7 0.801 113.2 48.0 -61.4 -33.2 17.2 -21.2 11.3 79 96 A I H <5S+ 0 0 27 -4,-1.9 3,-0.3 -5,-0.2 -1,-0.2 0.882 112.8 48.1 -75.4 -38.4 19.6 -23.5 9.8 80 97 A K H <5S+ 0 0 132 -4,-2.6 -2,-0.2 1,-0.2 -3,-0.2 0.858 111.4 51.0 -69.4 -34.7 18.3 -26.6 11.8 81 98 A S H <5S- 0 0 80 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.687 110.0-123.5 -69.8 -23.0 14.7 -25.7 10.8 82 99 A G T <5S+ 0 0 60 -4,-0.7 -3,-0.1 -3,-0.3 -4,-0.1 0.395 79.9 121.9 87.3 -2.0 15.6 -25.5 7.1 83 100 A E S - 0 0 93 -2,-0.3 4,-2.1 1,-0.1 5,-0.2 -0.679 22.5-117.5-100.8 159.1 20.7 -22.6 4.7 86 103 A F H > S+ 0 0 8 -2,-0.3 4,-2.9 1,-0.2 5,-0.2 0.916 112.1 52.1 -52.7 -47.6 24.2 -22.4 6.3 87 104 A E H > S+ 0 0 68 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.859 108.8 50.8 -63.9 -36.5 25.9 -21.0 3.1 88 105 A S H > S+ 0 0 36 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.933 113.2 43.3 -69.5 -47.3 23.3 -18.3 2.7 89 106 A L H X S+ 0 0 4 -4,-2.1 4,-2.9 2,-0.2 5,-0.4 0.901 114.0 52.7 -63.4 -41.0 23.7 -17.1 6.4 90 107 A A H X S+ 0 0 0 -4,-2.9 4,-2.0 -5,-0.2 6,-0.2 0.950 109.7 48.9 -62.2 -43.6 27.5 -17.4 6.2 91 108 A S H < S+ 0 0 45 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.868 121.8 34.0 -62.4 -41.5 27.5 -15.2 2.9 92 109 A Q H < S+ 0 0 92 -4,-2.1 -1,-0.2 -5,-0.1 -2,-0.2 0.874 132.2 19.5 -77.2 -41.3 25.3 -12.6 4.5 93 110 A F H < S+ 0 0 57 -4,-2.9 2,-0.2 -5,-0.2 -3,-0.2 0.519 81.2 115.2-123.8 -7.5 26.3 -12.4 8.1 94 111 A S < - 0 0 0 -4,-2.0 -49,-0.2 -5,-0.4 5,-0.1 -0.500 52.7-147.8 -76.1 134.1 29.8 -14.0 8.8 95 112 A D S S+ 0 0 2 -51,-3.2 2,-0.3 -2,-0.2 -1,-0.1 0.069 73.0 96.5 -84.3 21.6 32.4 -11.4 10.1 96 113 A C S > S- 0 0 24 -52,-0.2 3,-2.0 -6,-0.2 4,-0.2 -0.886 83.7-126.2-112.4 147.9 35.0 -13.5 8.4 97 114 A S G > S+ 0 0 103 -2,-0.3 3,-1.4 1,-0.3 4,-0.2 0.720 106.7 75.4 -61.7 -18.9 36.4 -12.7 4.8 98 115 A S G > > + 0 0 14 1,-0.3 5,-2.2 2,-0.2 3,-1.7 0.612 68.9 89.1 -71.2 -7.6 35.5 -16.4 4.0 99 116 A A G X 5S+ 0 0 0 -3,-2.0 3,-1.9 1,-0.3 -1,-0.3 0.873 79.4 61.7 -50.9 -39.0 31.9 -15.2 3.9 100 117 A K G < 5S+ 0 0 172 -3,-1.4 -1,-0.3 1,-0.3 -2,-0.2 0.661 104.7 47.9 -61.1 -28.0 32.6 -14.4 0.1 101 118 A A G X 5S- 0 0 52 -3,-1.7 3,-1.8 -4,-0.2 -1,-0.3 -0.105 128.3 -97.2-101.2 32.7 33.2 -18.1 -0.3 102 119 A R T < 5S- 0 0 163 -3,-1.9 -3,-0.2 1,-0.3 -12,-0.2 0.751 80.0 -60.5 57.0 28.1 30.0 -19.3 1.6 103 120 A G T 3 -C 37 0B 34 -2,-0.3 3,-0.8 -72,-0.2 4,-0.3 -0.715 44.2 -69.3-118.7 177.7 45.1 -30.7 9.2 110 127 A R T 3 S+ 0 0 87 -74,-0.6 -1,-0.1 -2,-0.2 5,-0.0 -0.367 113.6 48.6 -63.3 149.6 45.8 -30.5 13.0 111 128 A G T 3 S+ 0 0 69 2,-0.2 -1,-0.2 -3,-0.1 4,-0.1 0.453 96.6 74.8 100.1 4.4 48.4 -27.9 14.0 112 129 A Q S < S+ 0 0 108 -3,-0.8 2,-0.2 2,-0.1 -2,-0.1 0.767 80.0 52.5-116.7 -35.8 46.9 -24.9 12.0 113 130 A M S S- 0 0 60 -4,-0.3 -2,-0.2 1,-0.1 5,-0.0 -0.604 97.8 -76.2-102.2 164.6 43.7 -23.4 13.5 114 131 A Q > - 0 0 57 -2,-0.2 4,-2.6 1,-0.1 3,-0.5 -0.348 54.9-111.2 -53.1 147.9 43.0 -22.1 17.0 115 132 A K H > S+ 0 0 118 1,-0.2 4,-3.4 2,-0.2 5,-0.3 0.819 112.4 50.7 -60.9 -41.7 42.5 -25.1 19.2 116 133 A P H > S+ 0 0 59 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.922 114.7 46.4 -65.8 -36.2 38.8 -24.9 20.1 117 134 A F H > S+ 0 0 6 -3,-0.5 4,-2.7 2,-0.2 -2,-0.2 0.929 115.9 45.9 -61.8 -48.8 38.1 -24.5 16.4 118 135 A E H X S+ 0 0 1 -4,-2.6 4,-2.6 2,-0.2 5,-0.2 0.903 112.0 49.4 -65.1 -48.8 40.3 -27.4 15.4 119 136 A D H X S+ 0 0 61 -4,-3.4 4,-1.3 -5,-0.2 -1,-0.2 0.939 113.1 46.6 -57.2 -47.2 39.1 -29.7 18.1 120 137 A A H >X S+ 0 0 0 -4,-2.1 4,-1.2 -5,-0.3 3,-0.6 0.952 111.1 53.4 -61.0 -44.6 35.5 -29.1 17.2 121 138 A S H >< S+ 0 0 0 -4,-2.7 3,-0.6 1,-0.2 -2,-0.2 0.929 111.5 45.4 -52.8 -46.5 36.3 -29.5 13.4 122 139 A F H 3< S+ 0 0 10 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.692 110.8 52.5 -75.4 -18.3 37.9 -32.9 14.0 123 140 A A H << S+ 0 0 20 -4,-1.3 -1,-0.2 -3,-0.6 -2,-0.2 0.590 90.8 92.7 -92.3 -11.6 35.2 -34.2 16.3 124 141 A L S << S- 0 0 2 -4,-1.2 2,-0.2 -3,-0.6 3,-0.1 -0.508 76.5-126.4 -77.5 147.2 32.3 -33.4 13.8 125 142 A R > - 0 0 72 -2,-0.2 3,-2.6 1,-0.1 19,-0.3 -0.584 46.6 -76.8 -83.2 158.4 31.2 -36.2 11.4 126 143 A T T 3 S+ 0 0 89 1,-0.3 19,-0.2 -2,-0.2 -1,-0.1 -0.377 124.7 16.9 -57.2 129.4 31.2 -35.3 7.7 127 144 A G T 3 S+ 0 0 55 17,-3.0 -1,-0.3 1,-0.3 2,-0.2 0.248 99.5 126.8 93.9 -12.2 28.1 -33.2 7.1 128 145 A E < - 0 0 23 -3,-2.6 16,-2.5 16,-0.1 2,-0.4 -0.474 48.7-144.6 -90.9 146.6 27.6 -32.4 10.8 129 146 A M B -E 143 0B 32 14,-0.2 14,-0.2 -2,-0.2 -4,-0.1 -0.886 11.6-132.7-109.3 144.8 27.3 -28.8 12.2 130 147 A S - 0 0 3 12,-2.7 -106,-0.2 -2,-0.4 3,-0.1 -0.330 15.6-123.4 -82.5 169.4 28.7 -27.6 15.6 131 148 A G S S- 0 0 6 -108,-2.2 11,-0.4 1,-0.2 -106,-0.2 -0.190 70.7 -38.9 -84.9-160.5 26.9 -25.6 18.2 132 149 A P - 0 0 22 0, 0.0 2,-0.5 0, 0.0 -1,-0.2 -0.434 63.3-165.9 -65.5 132.4 28.5 -22.2 19.2 133 150 A V E -F 140 0B 5 7,-2.1 7,-3.0 -2,-0.2 2,-0.4 -0.978 8.3-147.9-124.7 122.3 32.3 -22.6 19.4 134 151 A F E +F 139 0B 87 -2,-0.5 2,-0.3 5,-0.2 5,-0.2 -0.762 26.1 158.0 -97.7 134.0 34.2 -19.8 21.1 135 152 A T E > -F 138 0B 15 3,-2.6 3,-1.0 -2,-0.4 -2,-0.0 -0.893 60.4 -88.9-132.5 179.9 37.8 -18.7 20.0 136 153 A D T 3 S+ 0 0 98 -2,-0.3 -85,-2.8 1,-0.2 -84,-0.1 0.673 126.1 58.6 -60.0 -18.9 39.7 -15.5 20.5 137 154 A S T 3 S- 0 0 30 -87,-0.2 2,-0.3 1,-0.2 -90,-0.3 0.719 119.5 -92.3 -81.6 -30.7 38.2 -14.3 17.2 138 155 A G E < - F 0 135B 0 -3,-1.0 -3,-2.6 -92,-0.2 2,-0.4 -0.994 63.4 -31.4 158.5-138.8 34.6 -14.6 18.2 139 156 A I E -DF 45 134B 0 -94,-2.2 -94,-2.9 -2,-0.3 2,-0.3 -0.976 57.2-163.4-119.1 135.0 31.8 -17.2 18.1 140 157 A H E -DF 44 133B 11 -7,-3.0 -7,-2.1 -2,-0.4 2,-0.5 -0.764 21.2-156.2-119.5 145.2 31.7 -19.8 15.2 141 158 A I E -D 43 0B 0 -98,-1.6 -98,-2.1 -2,-0.3 2,-0.4 -0.994 29.7-159.2-109.0 130.1 29.2 -22.2 13.8 142 159 A I E -D 42 0B 0 -2,-0.5 -12,-2.7 -11,-0.4 2,-0.5 -0.905 13.5-165.4-118.2 130.1 31.3 -24.8 12.0 143 160 A L E -DE 41 129B 26 -102,-2.9 -102,-2.4 -2,-0.4 2,-0.6 -0.984 15.4-144.1-113.8 122.7 30.1 -27.2 9.2 144 161 A R E +D 40 0B 26 -16,-2.5 -17,-3.0 -2,-0.5 -104,-0.3 -0.747 23.5 173.6 -84.9 121.0 32.3 -30.1 8.5 145 162 A T 0 0 49 -106,-3.2 -105,-0.2 -2,-0.6 -1,-0.2 0.682 360.0 360.0-105.2 -19.5 32.1 -30.7 4.7 146 163 A E 0 0 121 -107,-1.5 -107,-2.3 -21,-0.0 -1,-0.3 -0.961 360.0 360.0-151.8 360.0 34.8 -33.4 4.1