==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-SEP-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE/INHIBITOR 09-AUG-11 3TCZ . COMPND 2 MOLECULE: PEPTIDYL-PROLYL CIS-TRANS ISOMERASE NIMA-INTERACT . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.ZHANG,Y.ZHANG . 146 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8347.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 84 57.5 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 . 27 18.5 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 . 6 4.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 12 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 29 19.9 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+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 1 0 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 . 1 1 2 0 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 6 A K 0 0 229 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 2.9 -5.2 13.7 23.1 2 7 A L - 0 0 44 30,-0.2 3,-0.2 2,-0.1 31,-0.1 0.620 360.0 -92.9 84.3 123.0 -5.5 17.2 21.6 3 8 A P > - 0 0 29 0, 0.0 3,-1.9 0, 0.0 121,-0.0 -0.027 66.0 -58.6 -55.1 160.7 -2.9 19.1 19.4 4 9 A P T 3 S+ 0 0 102 0, 0.0 19,-0.1 0, 0.0 3,-0.1 -0.198 123.9 13.1 -50.0 125.0 -0.3 21.4 20.9 5 10 A G T 3 S+ 0 0 13 1,-0.3 17,-2.6 -3,-0.2 2,-0.2 0.130 94.9 126.4 98.8 -19.2 -1.8 24.3 22.9 6 11 A W E < +A 21 0A 19 -3,-1.9 2,-0.3 15,-0.3 -1,-0.3 -0.522 29.5 170.9 -82.1 137.7 -5.3 23.0 23.1 7 12 A E E -A 20 0A 88 13,-3.2 13,-2.4 -2,-0.2 2,-0.3 -0.955 35.3-107.8-136.5 157.2 -7.2 22.5 26.4 8 13 A K E -A 19 0A 122 -2,-0.3 2,-0.3 11,-0.2 11,-0.2 -0.684 40.3-176.9 -84.7 137.9 -10.8 21.7 27.3 9 14 A A E -A 18 0A 20 9,-3.2 9,-2.6 -2,-0.3 2,-0.5 -0.883 23.0-125.1-132.3 166.3 -12.9 24.5 28.6 10 15 A M E -A 17 0A 116 -2,-0.3 7,-0.2 7,-0.2 2,-0.2 -0.959 25.7-124.2-119.0 123.8 -16.4 25.0 30.0 11 16 A S > - 0 0 11 5,-2.7 4,-1.4 -2,-0.5 6,-0.0 -0.469 10.6-152.4 -69.4 132.1 -18.8 27.6 28.5 12 17 A R T 4 S+ 0 0 256 -2,-0.2 -1,-0.1 1,-0.2 -2,-0.0 0.837 92.0 39.9 -72.6 -34.4 -20.2 30.1 31.0 13 18 A S T 4 S+ 0 0 124 1,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.751 130.4 21.3 -90.3 -24.0 -23.4 30.8 29.2 14 19 A S T 4 S- 0 0 61 2,-0.2 -2,-0.2 0, 0.0 3,-0.1 0.529 87.9-128.5-122.0 -13.1 -24.4 27.4 27.9 15 20 A G < + 0 0 45 -4,-1.4 2,-0.2 1,-0.3 -3,-0.1 0.430 64.5 135.6 73.4 -1.2 -22.6 24.9 30.2 16 21 A R - 0 0 131 -6,-0.1 -5,-2.7 1,-0.1 -1,-0.3 -0.545 59.2-113.5 -81.1 142.4 -21.3 23.2 27.0 17 22 A V E +A 10 0A 69 -7,-0.2 2,-0.3 -2,-0.2 -7,-0.2 -0.405 39.9 174.6 -64.6 147.1 -17.7 22.1 26.7 18 23 A Y E -A 9 0A 67 -9,-2.6 -9,-3.2 -2,-0.1 2,-0.4 -0.905 27.2-109.8-143.8 177.6 -15.5 23.9 24.2 19 24 A Y E -AB 8 28A 21 9,-3.3 9,-2.2 -2,-0.3 2,-0.4 -0.924 26.4-175.5-119.9 137.9 -11.8 23.9 23.2 20 25 A F E -AB 7 27A 53 -13,-2.4 -13,-3.2 -2,-0.4 2,-0.5 -0.979 15.6-148.6-132.1 140.0 -9.3 26.7 23.7 21 26 A N E > -A 6 0A 0 5,-2.3 4,-2.0 -2,-0.4 5,-0.3 -0.962 2.9-161.2-110.7 118.8 -5.7 27.0 22.5 22 27 A H T 4 S+ 0 0 113 -17,-2.6 -16,-0.1 -2,-0.5 -1,-0.1 0.530 90.2 49.1 -82.6 -5.0 -3.5 29.0 24.9 23 28 A I T 4 S+ 0 0 59 -18,-0.2 98,-0.2 -19,-0.1 -1,-0.2 0.863 125.4 24.3 -92.0 -50.2 -0.8 29.6 22.2 24 29 A T T 4 S- 0 0 0 97,-0.1 108,-2.2 96,-0.1 119,-0.2 0.631 94.6-130.3 -89.9 -16.2 -3.1 30.9 19.4 25 30 A N < + 0 0 53 -4,-2.0 2,-0.2 1,-0.2 -3,-0.1 0.660 55.0 152.1 63.9 21.1 -6.0 32.1 21.5 26 31 A A - 0 0 10 -5,-0.3 -5,-2.3 106,-0.2 2,-0.3 -0.510 22.9-174.0 -75.1 145.5 -8.4 30.1 19.2 27 32 A S E +B 20 0A 51 -7,-0.2 2,-0.3 -2,-0.2 -7,-0.2 -0.986 11.5 153.8-144.0 139.5 -11.6 28.9 20.6 28 33 A Q E -B 19 0A 53 -9,-2.2 -9,-3.3 -2,-0.3 -2,-0.0 -0.976 46.9-125.6-156.6 160.0 -14.2 26.7 19.1 29 34 A W S S+ 0 0 109 -2,-0.3 -1,-0.1 -11,-0.2 2,-0.1 0.852 87.1 86.8 -74.9 -37.1 -17.0 24.2 20.0 30 35 A E S S- 0 0 126 1,-0.1 -11,-0.2 -11,-0.1 -2,-0.1 -0.346 88.6-109.9 -74.0 141.7 -15.5 21.5 17.8 31 36 A R - 0 0 139 -2,-0.1 -1,-0.1 1,-0.1 -2,-0.1 -0.580 45.7-112.6 -70.6 121.4 -12.8 19.1 19.0 32 37 A P 0 0 3 0, 0.0 -30,-0.2 0, 0.0 -1,-0.1 -0.230 360.0 360.0 -62.4 141.5 -9.6 20.0 17.2 33 38 A S 0 0 140 -31,-0.1 93,-0.0 93,-0.0 0, 0.0 -0.887 360.0 360.0 177.1 360.0 -7.9 17.7 14.6 34 ! 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 35 51 A E 0 0 162 0, 0.0 2,-0.1 0, 0.0 89,-0.1 0.000 360.0 360.0 360.0 162.3 6.5 20.5 13.1 36 52 A P - 0 0 47 0, 0.0 3,-0.1 0, 0.0 87,-0.0 -0.356 360.0-129.9 -77.7 161.0 7.2 22.1 9.7 37 53 A A S S+ 0 0 83 1,-0.2 74,-0.5 73,-0.1 2,-0.3 0.832 91.6 16.2 -71.9 -35.8 10.4 24.1 8.8 38 54 A R - 0 0 136 72,-0.2 2,-0.3 109,-0.1 72,-0.2 -0.982 61.9-167.3-141.0 148.2 8.3 27.0 7.4 39 55 A V E -C 109 0B 2 70,-2.1 70,-2.0 -2,-0.3 2,-0.4 -0.929 15.3-140.9-127.9 157.7 4.8 28.2 7.5 40 56 A R E +C 108 0B 82 -2,-0.3 106,-2.2 68,-0.2 107,-1.5 -0.982 28.8 174.5-117.1 132.8 3.0 30.8 5.4 41 57 A C E - D 0 145B 0 66,-1.2 65,-2.3 -2,-0.4 2,-0.3 -0.965 24.8-153.1-135.4 150.2 0.6 33.2 7.2 42 58 A S E -CD 105 144B 9 102,-2.6 102,-2.7 -2,-0.3 2,-0.3 -0.809 24.2-173.6-105.4 161.8 -1.5 36.2 6.6 43 59 A H E - D 0 143B 7 61,-1.6 2,-0.4 -2,-0.3 100,-0.2 -0.982 25.4-142.0-150.7 161.4 -2.4 38.5 9.4 44 60 A L E - D 0 142B 0 98,-1.6 98,-1.6 -2,-0.3 2,-0.5 -0.999 26.0-159.2-121.4 125.2 -4.5 41.6 10.2 45 61 A L E - D 0 141B 5 -2,-0.4 51,-3.4 96,-0.2 2,-0.5 -0.919 13.7-171.0-111.9 131.1 -2.8 44.0 12.6 46 62 A V E - D 0 140B 2 94,-2.3 94,-2.6 -2,-0.5 2,-0.1 -0.985 19.5-156.3-114.6 115.6 -4.5 46.6 14.7 47 63 A K - 0 0 12 -2,-0.5 2,-0.3 92,-0.2 92,-0.2 -0.475 9.3-166.8 -86.0 162.2 -1.9 48.8 16.3 48 64 A H > - 0 0 7 90,-0.3 3,-2.7 -2,-0.1 17,-0.2 -0.888 42.4 -83.7-140.2 173.6 -2.4 50.8 19.5 49 65 A S T 3 S+ 0 0 60 15,-3.0 16,-0.1 1,-0.3 13,-0.1 0.724 127.2 51.7 -49.8 -28.6 -0.7 53.7 21.4 50 66 A Q T 3 S+ 0 0 134 14,-0.2 -1,-0.3 3,-0.1 2,-0.1 0.278 81.6 123.3 -94.3 8.7 1.7 51.1 23.0 51 67 A S S < S- 0 0 8 -3,-2.7 87,-0.2 1,-0.1 88,-0.1 -0.425 75.6-117.4 -67.3 146.3 2.8 49.6 19.7 52 68 A R S S+ 0 0 165 85,-3.6 86,-0.1 1,-0.3 -1,-0.1 0.719 114.0 26.3 -56.7 -23.8 6.6 49.7 19.0 53 69 A R S S- 0 0 150 84,-0.3 2,-3.5 85,-0.2 -1,-0.3 -0.719 77.0-162.2-139.8 85.3 5.8 51.9 16.0 54 70 A P + 0 0 60 0, 0.0 8,-2.4 0, 0.0 2,-0.3 -0.174 63.5 83.8 -70.0 56.5 2.5 53.8 16.7 55 71 A S + 0 0 43 -2,-3.5 2,-0.3 6,-0.2 5,-0.2 -0.990 46.5 161.7-155.2 146.6 2.1 54.6 12.9 56 72 A S - 0 0 16 3,-1.9 3,-0.4 -2,-0.3 41,-0.1 -0.945 54.6 -89.4-151.5 176.6 0.7 52.9 9.7 57 73 A W S S+ 0 0 120 -2,-0.3 3,-0.1 1,-0.2 39,-0.1 0.700 121.4 60.0 -57.8 -24.3 -0.5 53.6 6.2 58 74 A R S S- 0 0 90 1,-0.3 2,-0.3 37,-0.1 -1,-0.2 0.805 123.0 -0.3 -79.0 -34.7 -4.0 54.0 7.6 59 75 A Q - 0 0 74 -3,-0.4 -3,-1.9 1,-0.1 -1,-0.3 -0.944 58.7-135.9-158.9 142.8 -3.1 57.0 9.9 60 76 A E S S+ 0 0 178 -2,-0.3 2,-0.6 1,-0.2 -1,-0.1 0.900 99.5 33.8 -63.0 -47.3 0.0 59.0 10.7 61 77 A K S S- 0 0 158 -6,-0.1 2,-0.6 2,-0.0 -1,-0.2 -0.951 74.9-159.4-115.1 109.8 -0.5 59.0 14.4 62 78 A I + 0 0 4 -8,-2.4 -11,-0.1 -2,-0.6 -14,-0.1 -0.845 22.9 160.5 -92.4 124.7 -2.1 55.9 15.9 63 79 A T + 0 0 83 -2,-0.6 -1,-0.1 -16,-0.1 -15,-0.1 0.353 25.0 123.0-128.5 -1.3 -3.6 56.8 19.3 64 80 A R - 0 0 52 -17,-0.1 -15,-3.0 1,-0.1 -14,-0.2 -0.375 62.4-113.7 -65.3 147.8 -6.2 54.1 20.0 65 81 A T > - 0 0 52 -17,-0.2 4,-2.6 -16,-0.1 3,-0.4 -0.393 21.5-107.7 -81.8 157.4 -5.7 52.2 23.3 66 82 A K H > S+ 0 0 73 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.897 122.0 52.1 -43.6 -50.4 -4.8 48.5 23.7 67 83 A E H > S+ 0 0 128 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.845 110.2 48.0 -59.8 -39.3 -8.3 47.9 25.0 68 84 A E H > S+ 0 0 90 -3,-0.4 4,-1.5 2,-0.2 -1,-0.2 0.909 110.3 51.2 -68.7 -44.4 -9.9 49.6 21.9 69 85 A A H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.887 107.9 53.4 -56.5 -44.7 -7.6 47.7 19.5 70 86 A L H X S+ 0 0 53 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.863 106.7 52.3 -58.9 -39.0 -8.7 44.4 21.2 71 87 A E H X S+ 0 0 144 -4,-1.4 4,-1.8 2,-0.2 -1,-0.2 0.790 109.6 48.7 -69.4 -33.1 -12.4 45.3 20.6 72 88 A L H X S+ 0 0 58 -4,-1.5 4,-2.3 2,-0.2 -2,-0.2 0.934 111.3 49.5 -67.0 -50.4 -11.7 45.9 16.9 73 89 A I H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.882 110.4 51.6 -51.5 -45.8 -9.9 42.6 16.7 74 90 A N H X S+ 0 0 73 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.941 109.8 49.2 -58.9 -48.8 -12.9 40.9 18.4 75 91 A G H X S+ 0 0 14 -4,-1.8 4,-1.9 2,-0.2 -2,-0.2 0.831 110.9 49.1 -58.6 -41.0 -15.3 42.5 16.0 76 92 A Y H X S+ 0 0 15 -4,-2.3 4,-2.6 2,-0.2 5,-0.2 0.916 109.8 51.0 -66.2 -46.5 -13.3 41.4 12.9 77 93 A I H X S+ 0 0 21 -4,-2.4 4,-2.9 1,-0.2 -2,-0.2 0.914 109.4 53.1 -54.5 -42.9 -13.0 37.8 14.3 78 94 A Q H X S+ 0 0 140 -4,-2.2 4,-1.8 1,-0.2 6,-0.2 0.906 110.9 45.2 -58.9 -45.9 -16.9 37.9 14.7 79 95 A K H <>S+ 0 0 80 -4,-1.9 6,-1.6 2,-0.2 5,-1.4 0.845 114.5 48.5 -66.8 -38.3 -17.4 39.0 11.1 80 96 A I H ><5S+ 0 0 31 -4,-2.6 3,-0.9 3,-0.2 -2,-0.2 0.935 112.1 49.2 -64.6 -45.6 -14.9 36.4 9.8 81 97 A K H 3<5S+ 0 0 125 -4,-2.9 -2,-0.2 1,-0.3 -1,-0.2 0.830 113.4 44.5 -68.4 -33.9 -16.5 33.6 11.8 82 98 A S T 3<5S- 0 0 74 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.503 111.6-121.0 -84.4 -7.3 -20.1 34.4 10.8 83 99 A G T < 5S+ 0 0 60 -3,-0.9 -3,-0.2 -4,-0.5 3,-0.1 0.631 76.9 126.6 71.8 16.5 -18.9 34.7 7.1 84 100 A E S - 0 0 97 -2,-0.4 4,-1.8 -3,-0.1 3,-0.5 -0.562 25.6-114.7 -85.3 157.1 -13.7 37.3 4.7 87 103 A F H > S+ 0 0 9 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.904 113.0 52.0 -49.1 -52.3 -10.3 37.6 6.4 88 104 A E H > S+ 0 0 77 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.805 108.4 52.4 -60.7 -35.3 -8.5 38.9 3.3 89 105 A S H > S+ 0 0 37 -3,-0.5 4,-1.4 2,-0.2 -1,-0.2 0.892 111.6 45.0 -68.2 -44.2 -11.1 41.6 2.7 90 106 A L H X S+ 0 0 2 -4,-1.8 4,-2.5 2,-0.2 5,-0.4 0.871 111.9 52.2 -69.1 -38.4 -10.7 42.9 6.3 91 107 A A H X S+ 0 0 0 -4,-2.6 4,-1.8 1,-0.2 13,-0.2 0.903 109.3 49.7 -65.3 -40.0 -6.9 42.8 6.2 92 108 A S H < S+ 0 0 45 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.843 121.6 35.2 -65.0 -38.0 -6.8 44.8 3.0 93 109 A Q H < S+ 0 0 88 -4,-1.4 -2,-0.2 -5,-0.1 -1,-0.2 0.761 133.9 17.2 -83.8 -31.6 -9.1 47.4 4.4 94 110 A F H < S+ 0 0 54 -4,-2.5 -3,-0.2 -5,-0.1 2,-0.2 0.564 81.2 114.7-131.7 -12.0 -8.1 47.5 8.1 95 111 A S < - 0 0 0 -4,-1.8 -49,-0.2 -5,-0.4 5,-0.1 -0.480 53.2-146.0 -72.3 136.0 -4.7 46.0 8.9 96 112 A D S S+ 0 0 3 -51,-3.4 2,-0.3 -2,-0.2 -39,-0.1 0.186 72.2 98.7 -87.3 16.7 -2.2 48.5 10.2 97 113 A C S > S- 0 0 29 -52,-0.2 3,-1.4 -6,-0.2 4,-0.1 -0.730 83.0-124.7-103.4 155.3 0.5 46.5 8.5 98 114 A S G > S+ 0 0 103 -2,-0.3 3,-1.8 1,-0.2 4,-0.2 0.783 106.8 73.8 -60.8 -31.9 2.2 47.1 5.1 99 115 A S G > > + 0 0 15 1,-0.3 5,-2.3 2,-0.2 3,-1.2 0.502 69.5 90.5 -66.8 -4.8 1.1 43.6 4.2 100 116 A A G X 5S+ 0 0 2 -3,-1.4 3,-1.6 1,-0.2 -1,-0.3 0.832 77.8 62.5 -52.4 -38.3 -2.5 44.9 3.9 101 117 A K G < 5S+ 0 0 145 -3,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.674 105.8 46.6 -66.0 -18.0 -1.6 45.6 0.1 102 118 A A G X 5S- 0 0 32 -3,-1.2 3,-1.9 -4,-0.2 -1,-0.3 -0.146 128.3 -96.3-111.9 33.5 -1.1 41.8 -0.2 103 119 A R T < 5S- 0 0 134 -3,-1.6 -3,-0.2 1,-0.3 -12,-0.2 0.818 81.6 -56.2 56.5 33.6 -4.4 40.9 1.6 104 120 A G T 3 - 0 0 38 -2,-0.3 3,-0.8 -72,-0.2 4,-0.4 -0.522 46.3 -64.9-107.5-179.8 10.8 29.9 9.8 111 127 A R T 3 S+ 0 0 89 -74,-0.5 -1,-0.2 1,-0.2 5,-0.0 -0.383 116.1 37.1 -65.9 143.7 11.4 30.1 13.5 112 128 A G T 3 S+ 0 0 72 2,-0.3 -1,-0.2 -2,-0.1 3,-0.1 0.586 97.7 83.7 89.3 13.6 13.6 33.0 14.7 113 129 A Q S < S+ 0 0 108 -3,-0.8 2,-0.2 2,-0.1 -2,-0.1 0.748 82.6 48.9-111.0 -43.8 12.2 35.6 12.2 114 130 A M S S- 0 0 59 -4,-0.4 -2,-0.3 1,-0.1 -1,-0.1 -0.589 100.9 -78.1 -96.8 160.2 9.0 37.0 13.8 115 131 A Q > - 0 0 47 -2,-0.2 4,-2.3 1,-0.1 3,-0.3 -0.306 54.9-109.5 -51.0 138.9 8.3 38.3 17.2 116 132 A K H > S+ 0 0 111 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.777 112.1 51.3 -54.7 -43.3 7.9 35.3 19.5 117 133 A P H > S+ 0 0 57 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.955 114.2 46.0 -63.1 -45.1 4.1 35.4 20.3 118 134 A F H > S+ 0 0 7 -3,-0.3 4,-3.3 2,-0.2 -2,-0.2 0.928 113.7 49.7 -55.3 -50.1 3.3 35.6 16.5 119 135 A E H X S+ 0 0 7 -4,-2.3 4,-2.5 1,-0.2 5,-0.2 0.931 112.0 46.0 -58.1 -52.0 5.8 32.8 15.7 120 136 A D H X S+ 0 0 52 -4,-2.8 4,-1.4 2,-0.2 -1,-0.2 0.915 115.7 46.2 -57.3 -47.7 4.5 30.5 18.4 121 137 A A H >X S+ 0 0 0 -4,-2.4 4,-1.5 -5,-0.2 3,-0.7 0.958 112.0 52.0 -59.0 -53.4 0.9 31.1 17.3 122 138 A S H 3< S+ 0 0 0 -4,-3.3 -2,-0.2 1,-0.2 -1,-0.2 0.858 112.5 44.8 -50.3 -44.7 1.7 30.7 13.6 123 139 A F H 3< S+ 0 0 12 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.697 109.6 54.8 -79.4 -19.8 3.4 27.4 14.2 124 140 A A H << S+ 0 0 17 -4,-1.4 -1,-0.2 -3,-0.7 -2,-0.2 0.653 93.4 87.5 -86.1 -18.8 0.7 26.0 16.5 125 141 A L S < S- 0 0 1 -4,-1.5 2,-0.3 -3,-0.2 6,-0.1 -0.493 74.2-139.0 -69.8 145.9 -1.9 26.7 13.8 126 142 A R > - 0 0 67 -2,-0.2 3,-2.3 1,-0.1 19,-0.3 -0.701 44.6 -69.8 -98.1 163.7 -2.6 24.0 11.2 127 143 A T T 3 S+ 0 0 87 -2,-0.3 19,-0.2 1,-0.3 -1,-0.1 -0.317 124.8 20.2 -55.4 126.5 -3.1 24.9 7.5 128 144 A G T 3 S+ 0 0 56 17,-2.9 -1,-0.3 1,-0.3 2,-0.1 0.053 98.5 120.5 103.4 -23.4 -6.4 26.6 7.2 129 145 A E < - 0 0 42 -3,-2.3 16,-2.3 15,-0.1 2,-0.3 -0.360 48.1-147.3 -80.9 153.1 -6.8 27.7 10.8 130 146 A M B -E 144 0B 38 14,-0.2 14,-0.2 -2,-0.1 2,-0.1 -0.875 10.8-133.0-117.9 147.2 -7.1 31.1 12.3 131 147 A S - 0 0 4 12,-2.5 -106,-0.2 -2,-0.3 3,-0.1 -0.359 14.2-126.8 -80.5 168.6 -5.9 32.5 15.7 132 148 A G S S- 0 0 6 -108,-2.2 11,-0.4 1,-0.2 2,-0.2 -0.178 72.4 -34.4 -88.1-161.5 -7.8 34.6 18.2 133 149 A P - 0 0 20 0, 0.0 2,-0.5 0, 0.0 -1,-0.2 -0.458 64.2-165.6 -58.9 124.8 -6.1 37.8 19.3 134 150 A V E -F 141 0B 5 7,-2.3 7,-2.5 -2,-0.2 2,-0.3 -0.972 8.8-147.6-115.7 119.7 -2.3 37.4 19.4 135 151 A F E +F 140 0B 83 -2,-0.5 2,-0.3 5,-0.2 5,-0.2 -0.672 29.3 150.2 -92.6 131.6 -0.4 40.2 21.3 136 152 A T E > -F 139 0B 15 3,-2.1 3,-0.7 -2,-0.3 -2,-0.0 -0.885 63.0 -88.0-141.0 177.7 3.1 41.3 20.2 137 153 A D T 3 S+ 0 0 112 -2,-0.3 -85,-3.6 1,-0.2 -84,-0.3 0.648 124.6 60.1 -64.0 -13.9 5.1 44.6 20.4 138 154 A S T 3 S- 0 0 12 1,-0.3 -90,-0.3 -87,-0.2 2,-0.3 0.852 118.8 -95.8 -78.3 -35.0 3.5 45.5 17.0 139 155 A G E < - F 0 136B 0 -3,-0.7 -3,-2.1 -92,-0.2 2,-0.4 -0.981 63.0 -29.4 149.8-149.8 -0.1 45.4 18.3 140 156 A I E -DF 46 135B 0 -94,-2.6 -94,-2.3 -2,-0.3 2,-0.3 -0.925 59.9-162.3-112.7 132.0 -2.9 42.8 18.2 141 157 A H E -DF 45 134B 6 -7,-2.5 -7,-2.3 -2,-0.4 2,-0.5 -0.795 23.0-155.7-115.3 149.2 -3.0 40.2 15.4 142 158 A I E -D 44 0B 0 -98,-1.6 -98,-1.6 -2,-0.3 2,-0.4 -0.996 30.2-156.5-110.6 126.6 -5.4 37.8 13.8 143 159 A I E -D 43 0B 0 -2,-0.5 -12,-2.5 -11,-0.4 2,-0.5 -0.912 15.4-172.0-111.9 131.9 -3.3 35.1 12.2 144 160 A L E -DE 42 130B 29 -102,-2.7 -102,-2.6 -2,-0.4 2,-0.6 -0.980 16.4-145.4-119.1 117.9 -4.4 32.8 9.3 145 161 A R E +D 41 0B 27 -16,-2.3 -17,-2.9 -2,-0.5 -104,-0.3 -0.730 21.1 174.3 -82.3 119.8 -2.1 30.0 8.4 146 162 A T 0 0 53 -106,-2.2 -105,-0.2 -2,-0.6 -1,-0.2 0.719 360.0 360.0 -95.7 -27.1 -2.2 29.4 4.6 147 163 A E 0 0 113 -107,-1.5 -20,-0.2 -20,-0.0 -106,-0.1 0.269 360.0 360.0-144.4 360.0 0.5 26.7 4.2