==== 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 ISOMERASE/ISOMERASE INHIBITOR 31-MAY-07 2Q5A . COMPND 2 MOLECULE: PEPTIDYL-PROLYL CIS-TRANS ISOMERASE NIMA-INTERACT . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.P.NOEL,Y.ZHANG . 150 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8335.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 92 61.3 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 . 32 21.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 1.3 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 1.3 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 . 8 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 15 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 29 19.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.3 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 . 3 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 0 102 0, 0.0 3,-0.2 0, 0.0 4,-0.2 0.000 360.0 360.0 360.0 143.1 -16.8 4.2 35.6 2 8 A P > - 0 0 38 0, 0.0 3,-1.5 0, 0.0 121,-0.0 -0.061 360.0 -48.8 -55.7 160.9 -17.1 7.1 33.1 3 9 A P T 3 S+ 0 0 100 0, 0.0 19,-0.2 0, 0.0 17,-0.0 -0.041 125.6 6.5 -42.7 112.4 -18.1 10.7 34.3 4 10 A G T 3 S+ 0 0 14 1,-0.3 17,-2.1 -3,-0.2 18,-0.3 0.502 90.2 138.0 100.4 11.1 -21.1 10.6 36.7 5 11 A W E < +A 20 0A 25 -3,-1.5 2,-0.3 15,-0.2 -1,-0.3 -0.660 21.9 173.6 -98.1 143.6 -21.8 6.8 37.2 6 12 A E E -A 19 0A 97 13,-2.3 13,-2.4 -2,-0.3 2,-0.3 -0.976 32.1-115.5-139.0 151.2 -22.7 4.9 40.3 7 13 A K E +A 18 0A 113 -2,-0.3 2,-0.3 11,-0.2 11,-0.2 -0.656 40.6 171.9 -79.3 139.6 -23.7 1.3 40.9 8 14 A A E -A 17 0A 23 9,-2.7 9,-2.2 -2,-0.3 2,-0.4 -0.839 27.7-121.2-138.8 178.5 -27.2 0.8 42.3 9 15 A M E -A 16 0A 110 -2,-0.3 7,-0.2 7,-0.3 2,-0.2 -0.994 28.6-113.7-128.7 129.5 -29.7 -2.1 43.0 10 16 A S > - 0 0 16 5,-2.9 4,-1.9 -2,-0.4 6,-0.0 -0.415 17.5-151.7 -60.1 126.9 -33.1 -2.5 41.5 11 17 A R T 4 S+ 0 0 236 1,-0.2 -1,-0.2 2,-0.2 0, 0.0 0.781 96.0 43.1 -69.6 -26.6 -35.8 -2.1 44.2 12 18 A S T 4 S+ 0 0 122 3,-0.1 -1,-0.2 1,-0.1 -2,-0.1 0.786 132.7 16.2 -90.5 -26.0 -38.2 -4.4 42.3 13 19 A S T 4 S- 0 0 67 2,-0.2 -2,-0.2 0, 0.0 3,-0.1 0.637 85.9-129.1-121.6 -24.5 -35.7 -7.1 41.2 14 20 A G < + 0 0 43 -4,-1.9 2,-0.2 1,-0.3 -3,-0.1 0.341 62.0 134.6 86.1 -6.3 -32.5 -6.9 43.3 15 21 A R - 0 0 137 -6,-0.1 -5,-2.9 1,-0.1 -1,-0.3 -0.524 60.8-107.9 -79.5 143.5 -30.3 -6.9 40.2 16 22 A V E +A 9 0A 65 -7,-0.2 2,-0.3 -2,-0.2 -7,-0.3 -0.369 43.9 169.4 -68.1 143.2 -27.4 -4.4 40.0 17 23 A Y E -A 8 0A 61 -9,-2.2 -9,-2.7 -2,-0.1 2,-0.4 -0.875 28.9-112.6-142.2-179.7 -27.7 -1.5 37.5 18 24 A Y E -AB 7 27A 16 9,-3.1 9,-2.3 -2,-0.3 2,-0.4 -0.956 23.4-171.6-124.9 138.7 -26.0 1.8 36.7 19 25 A F E -AB 6 26A 53 -13,-2.4 -13,-2.3 -2,-0.4 2,-0.5 -0.977 12.9-150.1-129.1 140.5 -27.2 5.3 37.1 20 26 A N E > -A 5 0A 1 5,-2.6 4,-2.0 -2,-0.4 5,-0.3 -0.959 1.4-162.4-114.4 117.6 -25.6 8.6 36.0 21 27 A H T 4 S+ 0 0 115 -17,-2.1 -16,-0.1 -2,-0.5 -1,-0.1 0.492 89.3 52.5 -82.4 -0.7 -26.4 11.6 38.2 22 28 A I T 4 S+ 0 0 52 -18,-0.3 -1,-0.2 -19,-0.2 98,-0.1 0.793 125.2 21.4 -96.7 -41.0 -25.4 14.1 35.5 23 29 A T T 4 S- 0 0 0 -19,-0.1 108,-2.6 2,-0.1 -2,-0.2 0.555 94.8-130.8-100.8 -12.5 -27.6 12.8 32.6 24 30 A N < + 0 0 54 -4,-2.0 -3,-0.2 1,-0.2 2,-0.2 0.629 56.8 149.4 64.2 16.8 -30.2 10.9 34.8 25 31 A A - 0 0 8 -5,-0.3 -5,-2.6 106,-0.2 2,-0.3 -0.487 28.3-167.2 -74.5 149.8 -29.6 7.9 32.5 26 32 A S E +B 19 0A 49 -7,-0.2 2,-0.3 -2,-0.2 -7,-0.2 -0.995 12.2 164.1-140.6 142.9 -30.0 4.4 33.9 27 33 A Q E -B 18 0A 50 -9,-2.3 -9,-3.1 -2,-0.3 -2,-0.0 -0.962 40.0-129.1-153.2 156.9 -28.9 1.1 32.3 28 34 A W S S+ 0 0 128 -2,-0.3 2,-0.1 -11,-0.2 -1,-0.1 0.852 84.7 76.0 -81.4 -37.4 -28.3 -2.6 33.2 29 35 A E S S- 0 0 158 1,-0.1 -11,-0.1 -11,-0.1 -2,-0.1 -0.461 95.2 -97.1 -79.6 149.0 -24.8 -2.9 31.7 30 36 A R - 0 0 142 -2,-0.1 -1,-0.1 1,-0.1 -2,-0.1 -0.486 57.7-103.6 -63.7 120.7 -21.6 -1.6 33.1 31 37 A P 0 0 13 0, 0.0 -1,-0.1 0, 0.0 -26,-0.0 -0.105 360.0 360.0 -59.3 142.4 -21.1 1.7 31.3 32 38 A S 0 0 118 -31,-0.1 93,-0.0 -3,-0.1 -3,-0.0 -0.678 360.0 360.0 -80.5 360.0 -18.6 2.1 28.4 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 0 153 0, 0.0 89,-0.1 0, 0.0 88,-0.0 0.000 360.0 360.0 360.0 147.4 -14.5 15.2 26.9 35 52 A P - 0 0 42 0, 0.0 3,-0.1 0, 0.0 87,-0.0 -0.208 360.0-135.4 -60.8 151.5 -15.4 16.4 23.4 36 53 A A S S+ 0 0 88 1,-0.2 74,-0.5 73,-0.1 2,-0.3 0.837 88.5 13.4 -76.7 -40.1 -15.0 20.1 22.4 37 54 A R E -C 109 0B 150 72,-0.2 2,-0.3 109,-0.1 72,-0.2 -0.969 68.5-168.4-131.1 152.1 -18.4 20.3 20.7 38 55 A V E -C 108 0B 2 70,-2.2 70,-2.4 -2,-0.3 2,-0.4 -0.947 14.7-140.0-131.0 159.0 -21.5 18.0 20.7 39 56 A R E +C 107 0B 78 -2,-0.3 106,-2.4 68,-0.2 107,-1.6 -0.977 29.3 174.2-116.3 133.4 -24.6 17.8 18.6 40 57 A C E - D 0 144B 0 66,-1.2 65,-2.6 -2,-0.4 66,-0.5 -0.968 24.3-154.5-135.6 152.9 -27.9 17.0 20.4 41 58 A S E -CD 104 143B 10 102,-2.7 102,-3.1 -2,-0.3 2,-0.3 -0.830 23.5-170.0-109.7 161.9 -31.6 16.7 19.8 42 59 A H E - D 0 142B 0 61,-1.7 2,-0.4 -2,-0.3 100,-0.2 -0.982 25.1-145.1-147.5 162.4 -34.1 17.2 22.6 43 60 A L E - D 0 141B 0 98,-2.2 98,-2.0 -2,-0.3 2,-0.5 -0.997 26.1-160.9-123.0 119.3 -37.8 16.8 23.5 44 61 A L E - D 0 140B 0 -2,-0.4 51,-3.5 96,-0.2 2,-0.6 -0.883 12.4-168.4-106.2 133.1 -39.0 19.5 26.0 45 62 A V E - D 0 139B 2 94,-2.9 94,-2.4 -2,-0.5 2,-0.1 -0.976 18.2-156.8-115.2 112.7 -42.0 19.3 28.1 46 63 A K - 0 0 1 -2,-0.6 2,-0.3 92,-0.2 92,-0.2 -0.441 8.6-165.7 -83.1 164.3 -42.8 22.7 29.7 47 64 A H > - 0 0 9 90,-0.3 3,-2.2 -2,-0.1 17,-0.2 -0.867 41.4 -84.2-141.5 178.3 -44.8 23.2 32.8 48 65 A S T 3 S+ 0 0 61 15,-2.9 16,-0.1 1,-0.3 13,-0.1 0.721 126.9 49.3 -60.2 -23.0 -46.5 26.1 34.7 49 66 A Q T 3 S+ 0 0 147 3,-0.1 -1,-0.3 13,-0.0 89,-0.1 0.369 81.6 123.2 -97.1 4.4 -43.2 27.1 36.4 50 67 A S S < S- 0 0 5 -3,-2.2 87,-0.2 1,-0.1 86,-0.1 -0.345 77.9-113.3 -59.6 147.1 -41.2 27.1 33.1 51 68 A R S S+ 0 0 209 85,-2.8 86,-0.1 1,-0.3 -1,-0.1 0.874 113.8 23.4 -48.5 -42.9 -39.6 30.5 32.5 52 69 A R S S- 0 0 109 84,-0.2 2,-2.5 85,-0.2 -1,-0.3 -0.850 77.9-161.9-129.3 89.2 -41.9 31.0 29.5 53 70 A P + 0 0 54 0, 0.0 8,-2.8 0, 0.0 2,-0.3 -0.326 62.4 82.1 -75.5 62.4 -45.1 28.8 30.0 54 71 A S + 0 0 30 -2,-2.5 2,-0.3 6,-0.2 5,-0.2 -0.971 48.4 165.7-157.8 149.0 -46.1 28.9 26.3 55 72 A S B > -G 58 0C 13 3,-2.2 3,-0.5 -2,-0.3 41,-0.1 -0.950 55.1 -86.4-154.7 179.8 -45.1 26.9 23.2 56 73 A W T 3 S+ 0 0 117 -2,-0.3 3,-0.1 1,-0.2 39,-0.1 0.739 126.1 53.7 -61.1 -22.1 -46.2 26.2 19.6 57 74 A R T 3 S+ 0 0 95 1,-0.3 2,-0.3 37,-0.1 -1,-0.2 0.796 123.0 10.5 -80.8 -33.0 -48.3 23.4 21.0 58 75 A Q B < -G 55 0C 72 -3,-0.5 -3,-2.2 1,-0.1 -1,-0.3 -0.954 57.4-146.9-158.6 124.2 -50.3 25.4 23.6 59 76 A E S S+ 0 0 177 -2,-0.3 2,-0.5 1,-0.2 -1,-0.1 0.909 97.0 29.9 -66.8 -42.1 -50.6 29.1 24.2 60 77 A K S S- 0 0 157 -6,-0.1 2,-0.7 0, 0.0 -1,-0.2 -0.960 78.1-154.2-118.7 109.1 -50.9 28.8 28.0 61 78 A I + 0 0 5 -8,-2.8 -11,-0.1 -2,-0.5 -14,-0.1 -0.775 24.0 164.5 -88.1 119.2 -49.1 25.8 29.5 62 79 A T + 0 0 88 -2,-0.7 -1,-0.2 -16,-0.1 -14,-0.1 0.503 27.9 119.9-114.0 -11.6 -50.9 24.9 32.7 63 80 A R - 0 0 37 -17,-0.1 -15,-2.9 1,-0.1 2,-0.1 -0.235 64.2-114.9 -60.8 148.2 -49.6 21.4 33.5 64 81 A T > - 0 0 51 -17,-0.2 4,-2.4 -16,-0.1 5,-0.2 -0.349 23.3-110.5 -76.0 160.9 -47.8 21.0 36.8 65 82 A K H > S+ 0 0 73 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.891 122.1 54.9 -56.2 -40.7 -44.1 20.0 36.9 66 83 A E H > S+ 0 0 125 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.926 108.6 47.2 -60.2 -42.9 -45.2 16.7 38.3 67 84 A E H > S+ 0 0 94 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.878 110.5 53.1 -65.3 -40.2 -47.5 16.1 35.2 68 85 A A H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.905 107.6 51.1 -60.2 -42.5 -44.7 17.2 32.9 69 86 A L H X S+ 0 0 51 -4,-2.4 4,-2.8 1,-0.2 -2,-0.2 0.902 107.3 53.0 -66.2 -40.4 -42.4 14.6 34.5 70 87 A E H X S+ 0 0 133 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.913 110.2 48.6 -58.3 -41.9 -45.0 11.8 34.0 71 88 A L H X S+ 0 0 62 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.935 111.6 48.7 -62.0 -47.4 -45.2 12.8 30.3 72 89 A I H X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.925 110.4 51.4 -58.0 -47.3 -41.4 12.7 30.0 73 90 A N H X S+ 0 0 71 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.884 109.5 50.7 -61.9 -37.9 -41.3 9.3 31.7 74 91 A G H X S+ 0 0 14 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.898 109.8 49.3 -64.2 -43.3 -43.9 7.9 29.3 75 92 A Y H X S+ 0 0 16 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.929 109.2 52.6 -63.4 -44.6 -42.0 9.1 26.3 76 93 A I H X S+ 0 0 19 -4,-2.7 4,-2.9 1,-0.2 5,-0.2 0.921 108.6 51.8 -53.6 -46.3 -38.8 7.6 27.7 77 94 A Q H X S+ 0 0 138 -4,-2.2 4,-2.1 1,-0.2 6,-0.2 0.916 111.2 45.6 -55.8 -48.9 -40.6 4.3 28.1 78 95 A K H X>S+ 0 0 70 -4,-2.1 6,-1.8 2,-0.2 5,-0.8 0.853 113.9 49.5 -66.3 -36.0 -41.9 4.3 24.5 79 96 A I H ><5S+ 0 0 28 -4,-2.3 3,-0.6 -5,-0.2 -2,-0.2 0.938 113.0 46.4 -68.0 -45.2 -38.5 5.3 23.1 80 97 A K H 3<5S+ 0 0 128 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.844 112.7 49.6 -68.0 -34.4 -36.7 2.5 25.1 81 98 A S H 3<5S- 0 0 67 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.649 109.1-122.5 -75.1 -17.9 -39.2 -0.1 24.1 82 99 A G T <<5S+ 0 0 54 -4,-0.8 -3,-0.2 -3,-0.6 -4,-0.1 0.442 80.2 120.8 84.9 1.5 -39.0 0.8 20.4 83 100 A E S - 0 0 100 -2,-0.3 4,-2.3 1,-0.1 3,-0.2 -0.718 21.9-126.5 -87.4 145.4 -38.8 6.8 17.8 86 103 A F H > S+ 0 0 9 -2,-0.3 4,-2.8 1,-0.2 5,-0.2 0.916 111.6 53.4 -51.6 -45.4 -37.3 9.8 19.7 87 104 A E H > S+ 0 0 62 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.852 107.9 49.2 -63.2 -38.2 -37.6 11.9 16.5 88 105 A S H > S+ 0 0 41 -3,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.900 113.1 45.8 -67.9 -45.9 -41.2 11.1 16.1 89 106 A L H X S+ 0 0 1 -4,-2.3 4,-2.7 2,-0.2 5,-0.4 0.881 112.4 51.7 -67.5 -38.7 -42.1 12.0 19.7 90 107 A A H X S+ 0 0 0 -4,-2.8 4,-2.0 -5,-0.2 6,-0.2 0.947 110.0 49.5 -61.5 -45.1 -39.9 15.2 19.5 91 108 A S H < S+ 0 0 43 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.871 120.9 35.2 -60.7 -38.4 -41.8 16.3 16.3 92 109 A Q H < S+ 0 0 89 -4,-1.7 -1,-0.2 -5,-0.1 -2,-0.2 0.838 132.3 19.1 -84.0 -35.5 -45.1 15.7 17.9 93 110 A F H < S+ 0 0 53 -4,-2.7 2,-0.3 -5,-0.2 -3,-0.2 0.479 79.7 117.8-128.1 -6.4 -44.7 16.7 21.5 94 111 A S < - 0 0 0 -4,-2.0 2,-1.3 -5,-0.4 5,-0.2 -0.554 55.6-142.1 -72.0 128.9 -41.7 18.9 22.2 95 112 A D S S+ 0 0 0 -51,-3.5 2,-0.3 -2,-0.3 -41,-0.1 -0.246 76.7 84.5 -81.2 47.3 -42.6 22.3 23.6 96 113 A C S > S- 0 0 5 -2,-1.3 3,-2.1 -6,-0.2 4,-0.2 -0.986 86.4-121.0-149.4 144.1 -39.9 24.0 21.5 97 114 A S G > S+ 0 0 95 -2,-0.3 3,-2.0 1,-0.3 4,-0.2 0.754 106.7 78.0 -64.2 -20.2 -39.8 25.2 17.9 98 115 A S G > >S+ 0 0 15 1,-0.3 5,-2.1 2,-0.2 3,-1.8 0.634 71.2 85.3 -62.0 -12.2 -36.9 22.7 17.4 99 116 A A G X 5S+ 0 0 0 -3,-2.1 3,-1.8 1,-0.3 -1,-0.3 0.848 78.6 64.7 -50.0 -37.8 -39.7 20.1 17.2 100 117 A K G < 5S+ 0 0 143 -3,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.650 102.1 47.9 -66.6 -16.3 -39.9 21.1 13.6 101 118 A A G X 5S- 0 0 51 -3,-1.8 3,-2.0 -4,-0.2 -1,-0.3 -0.155 128.9 -95.5-111.1 32.6 -36.4 19.7 13.1 102 119 A R T < 5S- 0 0 146 -3,-1.8 -3,-0.2 1,-0.3 -12,-0.2 0.778 81.6 -58.4 59.9 29.9 -37.2 16.4 14.9 103 120 A G T 3 -C 37 0B 39 -2,-0.3 3,-0.8 -72,-0.2 4,-0.4 -0.684 45.0 -73.5-113.8 174.4 -19.8 24.0 22.9 110 127 A R T 3 S+ 0 0 86 -74,-0.5 -1,-0.1 -2,-0.2 5,-0.0 -0.428 114.0 50.9 -63.2 145.0 -19.7 24.6 26.6 111 128 A G T 3 S+ 0 0 64 2,-0.2 -1,-0.2 -2,-0.1 4,-0.0 0.492 97.5 70.7 102.0 7.5 -20.7 28.2 27.4 112 129 A Q S < S+ 0 0 67 -3,-0.8 40,-2.6 2,-0.1 2,-0.1 0.739 81.0 60.1-120.5 -45.7 -24.0 28.3 25.4 113 130 A M B S-H 151 0D 4 -4,-0.4 38,-0.3 38,-0.3 -2,-0.2 -0.464 94.8 -79.4 -91.8 159.9 -26.8 26.2 26.9 114 131 A Q >> - 0 0 27 36,-2.8 4,-2.6 -2,-0.1 3,-0.7 -0.322 56.3-111.6 -51.0 139.7 -28.6 26.2 30.3 115 132 A K H 3> S+ 0 0 112 1,-0.3 4,-2.9 2,-0.2 5,-0.2 0.824 111.5 47.9 -59.0 -47.2 -26.2 24.5 32.6 116 133 A P H 3> S+ 0 0 59 0, 0.0 4,-2.0 0, 0.0 -1,-0.3 0.868 115.4 49.3 -61.8 -31.4 -28.0 21.2 33.5 117 134 A F H <> S+ 0 0 0 -3,-0.7 4,-2.7 2,-0.2 -2,-0.2 0.929 112.1 47.6 -70.5 -45.8 -28.6 20.7 29.8 118 135 A E H X S+ 0 0 13 -4,-2.6 4,-2.5 2,-0.2 5,-0.2 0.946 112.2 48.7 -54.8 -53.3 -25.0 21.4 28.9 119 136 A D H X S+ 0 0 48 -4,-2.9 4,-1.2 1,-0.2 -2,-0.2 0.914 113.7 46.2 -61.1 -43.0 -23.6 19.1 31.5 120 137 A A H >X S+ 0 0 0 -4,-2.0 4,-1.7 -5,-0.2 3,-0.6 0.946 111.4 52.7 -61.5 -45.9 -25.9 16.3 30.5 121 138 A S H 3< S+ 0 0 0 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.889 112.4 43.9 -60.2 -42.1 -25.2 16.8 26.8 122 139 A F H 3< S+ 0 0 9 -4,-2.5 -1,-0.3 1,-0.2 -2,-0.2 0.664 111.3 54.1 -78.2 -17.6 -21.4 16.6 27.4 123 140 A A H << S+ 0 0 22 -4,-1.2 -1,-0.2 -3,-0.6 -2,-0.2 0.680 90.7 93.1 -90.1 -20.3 -21.6 13.6 29.7 124 141 A L S < S- 0 0 2 -4,-1.7 2,-0.2 -3,-0.2 3,-0.1 -0.424 75.4-128.6 -66.1 145.8 -23.6 11.5 27.1 125 142 A R > - 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0 0 55 1,-0.3 -52,-0.1 -12,-0.1 3,-0.1 -0.283 360.0 -5.6 -58.1 138.8 -34.9 28.0 24.7 150 503 B X T 3 S+ 0 0 0 1,-0.1 -36,-2.8 -54,-0.0 -1,-0.3 -0.608 100.7 112.9-102.9 47.2 -32.7 26.4 26.1 151 504 B X B < H 113 0D 114 -3,-2.7 -38,-0.3 -38,-0.3 -1,-0.1 -0.449 360.0 360.0 -77.4 151.1 -29.8 28.9 25.8 152 505 B Q 0 0 171 -40,-2.6 -39,-0.1 -2,-0.1 -1,-0.1 0.948 360.0 360.0 -68.9 360.0 -28.3 30.5 28.9