==== 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 21-OCT-09 3KCE . 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, . 146 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8199.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 87 59.6 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 20.5 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 . 7 4.8 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 . 30 20.5 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 6 A K 0 0 140 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -18.3 -4.5 12.9 23.1 2 7 A L - 0 0 45 4,-0.2 3,-0.1 1,-0.1 31,-0.1 -0.785 360.0-103.1-104.5 146.7 -4.8 16.5 22.0 3 8 A P > - 0 0 28 0, 0.0 3,-2.2 0, 0.0 -1,-0.1 -0.058 62.7 -57.4 -61.2 163.6 -2.3 18.4 19.7 4 9 A P T 3 S+ 0 0 99 0, 0.0 19,-0.1 0, 0.0 3,-0.1 -0.100 124.2 8.5 -48.9 129.9 0.3 20.9 21.1 5 10 A G T 3 S+ 0 0 10 1,-0.2 17,-2.7 -3,-0.1 2,-0.3 0.140 96.0 128.3 90.8 -18.3 -1.3 23.8 23.1 6 11 A W E < +A 21 0A 6 -3,-2.2 2,-0.3 15,-0.3 15,-0.3 -0.556 29.2 171.5 -83.7 130.2 -4.8 22.3 23.1 7 12 A E E -A 20 0A 93 13,-3.6 13,-2.9 -2,-0.3 2,-0.3 -0.962 30.2-119.3-134.5 153.7 -6.8 21.9 26.3 8 13 A K E +A 19 0A 109 -2,-0.3 2,-0.3 11,-0.2 11,-0.2 -0.649 38.7 169.0 -89.4 146.1 -10.4 21.0 27.2 9 14 A A E -A 18 0A 20 9,-2.7 9,-2.3 -2,-0.3 2,-0.5 -0.908 32.8-105.0-148.8 173.9 -12.6 23.5 29.1 10 15 A M E -A 17 0A 117 -2,-0.3 2,-0.3 7,-0.2 7,-0.2 -0.934 31.2-123.1-112.6 129.4 -16.1 24.2 30.3 11 16 A S > - 0 0 19 5,-2.7 4,-1.5 -2,-0.5 5,-0.0 -0.518 9.7-150.5 -69.1 127.7 -18.3 26.9 28.6 12 17 A R T 4 S+ 0 0 245 -2,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.816 95.3 44.3 -66.6 -32.0 -19.5 29.5 31.1 13 18 A S T 4 S+ 0 0 124 3,-0.1 -1,-0.1 1,-0.1 -2,-0.0 0.965 130.0 14.1 -76.0 -55.9 -22.7 30.1 29.1 14 19 A S T 4 S- 0 0 65 2,-0.2 -2,-0.1 0, 0.0 3,-0.1 0.642 87.0-123.8-102.1 -19.1 -23.9 26.6 28.2 15 20 A G < + 0 0 46 -4,-1.5 2,-0.3 1,-0.3 -3,-0.1 0.507 66.6 139.3 78.8 4.1 -22.0 24.2 30.4 16 21 A R - 0 0 135 -6,-0.1 -5,-2.7 1,-0.1 -1,-0.3 -0.614 58.9-110.3 -83.8 144.0 -20.8 22.5 27.2 17 22 A V E +A 10 0A 51 -2,-0.3 2,-0.3 -7,-0.2 -7,-0.2 -0.425 43.2 173.1 -63.7 139.6 -17.2 21.2 26.9 18 23 A Y E -A 9 0A 66 -9,-2.3 -9,-2.7 -2,-0.1 2,-0.4 -0.872 25.2-120.6-139.6 179.7 -15.0 23.2 24.4 19 24 A Y E +AB 8 28A 18 9,-3.0 9,-2.3 -2,-0.3 2,-0.3 -0.968 24.1 179.7-126.7 135.1 -11.4 23.2 23.4 20 25 A F E -AB 7 27A 67 -13,-2.9 -13,-3.6 -2,-0.4 2,-0.5 -0.968 20.7-139.5-133.5 158.0 -8.9 26.1 23.5 21 26 A N E > -A 6 0A 0 5,-2.4 4,-1.8 -2,-0.3 -15,-0.3 -0.962 3.4-159.3-118.0 118.6 -5.3 26.4 22.6 22 27 A H T 4 S+ 0 0 105 -17,-2.7 -16,-0.1 -2,-0.5 -1,-0.1 0.608 92.7 50.6 -80.3 -6.4 -3.1 28.4 25.0 23 28 A I T 4 S+ 0 0 56 -18,-0.2 -1,-0.2 -19,-0.1 98,-0.2 0.866 125.1 22.7 -90.7 -43.3 -0.4 29.0 22.2 24 29 A T T 4 S- 0 0 1 97,-0.1 108,-2.3 2,-0.1 119,-0.2 0.570 93.8-129.3 -99.6 -11.1 -2.7 30.2 19.4 25 30 A N < + 0 0 75 -4,-1.8 2,-0.1 1,-0.2 -3,-0.1 0.633 56.5 151.3 59.3 19.8 -5.7 31.5 21.5 26 31 A A - 0 0 10 -5,-0.2 -5,-2.4 106,-0.2 2,-0.3 -0.472 23.4-173.6 -72.7 145.6 -8.0 29.5 19.2 27 32 A S E +B 20 0A 54 -7,-0.2 2,-0.3 -2,-0.1 -7,-0.2 -0.987 10.8 156.2-142.9 141.5 -11.2 28.2 20.7 28 33 A Q E -B 19 0A 56 -9,-2.3 -9,-3.0 -2,-0.3 -2,-0.0 -0.983 45.2-127.0-157.2 158.9 -13.8 25.8 19.2 29 34 A W S S+ 0 0 107 -2,-0.3 2,-0.2 -11,-0.2 -1,-0.1 0.850 88.7 81.5 -73.9 -37.5 -16.6 23.4 20.2 30 35 A E S S- 0 0 128 1,-0.1 -11,-0.1 -11,-0.1 -2,-0.1 -0.445 92.9-105.4 -78.9 140.3 -15.2 20.6 18.1 31 36 A R - 0 0 127 -2,-0.2 -1,-0.1 1,-0.1 -2,-0.1 -0.476 51.4 -97.6 -64.3 128.4 -12.3 18.4 19.3 32 37 A P 0 0 12 0, 0.0 -1,-0.1 0, 0.0 -12,-0.0 -0.187 360.0 360.0 -56.1 139.0 -9.1 19.5 17.4 33 38 A S 0 0 107 -3,-0.1 93,-0.0 -31,-0.1 -3,-0.0 -0.035 360.0 360.0 -63.4 360.0 -8.0 17.5 14.3 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 0 160 0, 0.0 88,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 128.3 7.1 19.8 12.9 36 52 A P - 0 0 57 0, 0.0 3,-0.1 0, 0.0 0, 0.0 -0.306 360.0-130.3 -63.4 146.8 7.6 21.3 9.4 37 53 A A S S+ 0 0 83 1,-0.1 74,-0.6 73,-0.1 2,-0.3 0.839 90.7 25.3 -62.9 -35.9 10.7 23.3 8.9 38 54 A R E -C 110 0B 130 72,-0.2 2,-0.3 70,-0.0 72,-0.2 -0.963 61.9-170.3-133.9 148.3 8.6 26.1 7.4 39 55 A V E -C 109 0B 2 70,-2.1 70,-2.4 -2,-0.3 2,-0.5 -0.936 16.6-139.8-125.8 155.0 5.0 27.4 7.5 40 56 A R E +C 108 0B 80 107,-2.3 106,-2.7 -2,-0.3 107,-1.7 -0.977 29.9 172.4-113.8 132.8 3.2 30.0 5.4 41 57 A C E - D 0 145B 0 66,-1.4 65,-2.6 -2,-0.5 66,-0.4 -0.954 25.2-154.6-137.2 151.7 0.9 32.4 7.1 42 58 A S E -CD 105 144B 9 102,-2.4 102,-3.0 -2,-0.3 2,-0.3 -0.830 22.8-171.3-107.7 162.3 -1.2 35.5 6.6 43 59 A H E - D 0 143B 8 61,-1.7 2,-0.4 -2,-0.3 100,-0.2 -0.958 25.0-142.8-147.4 163.8 -2.1 37.9 9.4 44 60 A L E - D 0 142B 0 98,-2.0 98,-1.8 -2,-0.3 2,-0.4 -0.986 26.3-158.5-125.8 121.9 -4.2 40.8 10.2 45 61 A L E - D 0 141B 8 -2,-0.4 51,-3.2 96,-0.2 2,-0.5 -0.858 11.5-169.4-106.1 129.8 -2.5 43.2 12.6 46 62 A V E - D 0 140B 2 94,-2.9 94,-2.9 -2,-0.4 2,-0.1 -0.980 16.7-158.2-117.1 115.5 -4.3 45.8 14.8 47 63 A K - 0 0 26 -2,-0.5 2,-0.3 92,-0.2 92,-0.2 -0.416 8.6-169.7 -85.5 161.7 -1.8 48.2 16.4 48 64 A H > - 0 0 7 90,-0.2 3,-2.2 -2,-0.1 17,-0.2 -0.887 44.0 -81.2-143.9 176.1 -2.4 50.3 19.5 49 65 A S T 3 S+ 0 0 65 15,-3.0 16,-0.1 1,-0.3 15,-0.1 0.709 127.3 50.6 -54.5 -25.7 -0.7 53.2 21.4 50 66 A Q T 3 S+ 0 0 140 3,-0.1 -1,-0.3 13,-0.0 89,-0.1 0.412 80.9 123.2 -95.7 0.7 1.7 50.8 23.1 51 67 A S S < S- 0 0 7 -3,-2.2 87,-0.2 87,-0.1 86,-0.1 -0.353 75.3-116.4 -58.5 143.9 2.8 49.1 19.9 52 68 A R S S+ 0 0 67 85,-3.0 86,-0.1 1,-0.3 -1,-0.1 0.809 113.5 24.8 -50.5 -38.7 6.6 49.2 19.2 53 69 A R S S- 0 0 187 85,-0.2 2,-2.3 84,-0.2 -1,-0.3 -0.825 78.4-163.8-130.4 92.3 5.9 51.3 16.1 54 70 A P + 0 0 57 0, 0.0 8,-2.7 0, 0.0 2,-0.3 -0.323 60.6 80.6 -78.3 63.1 2.5 53.1 16.6 55 71 A S + 0 0 57 -2,-2.3 2,-0.3 6,-0.2 5,-0.2 -0.976 48.7 168.0-161.5 146.6 2.1 54.0 12.9 56 72 A S B > -G 59 0C 21 3,-2.1 3,-0.5 -2,-0.3 41,-0.1 -0.958 53.6 -88.6-153.6 178.4 0.9 52.3 9.7 57 73 A W T 3 S+ 0 0 102 -2,-0.3 3,-0.2 1,-0.2 39,-0.1 0.739 125.8 52.0 -59.5 -21.8 -0.2 52.8 6.1 58 74 A R T 3 S+ 0 0 94 1,-0.3 2,-0.3 37,-0.1 -1,-0.2 0.796 123.0 14.2 -83.4 -31.4 -3.7 53.3 7.5 59 75 A Q B < -G 56 0C 74 -3,-0.5 -3,-2.1 1,-0.1 -1,-0.3 -0.946 57.7-150.5-158.0 115.4 -3.0 55.9 10.1 60 76 A E S S+ 0 0 184 -2,-0.3 2,-0.6 1,-0.3 -1,-0.1 0.902 96.7 32.9 -60.3 -44.5 0.0 58.0 10.6 61 77 A K S S- 0 0 156 -6,-0.1 2,-0.8 0, 0.0 -1,-0.3 -0.945 78.4-153.3-113.6 109.6 -0.5 58.2 14.4 62 78 A I + 0 0 5 -8,-2.7 -11,-0.1 -2,-0.6 -14,-0.1 -0.739 26.4 161.4 -84.3 115.8 -2.0 55.1 15.9 63 79 A T + 0 0 86 -2,-0.8 -14,-0.2 -16,-0.1 -1,-0.2 0.568 26.3 119.6-106.6 -17.1 -3.8 56.3 19.1 64 80 A R - 0 0 33 -16,-0.1 -15,-3.0 -17,-0.1 2,-0.1 -0.140 65.4-110.8 -58.2 149.6 -6.3 53.4 19.9 65 81 A T > - 0 0 55 -17,-0.2 4,-2.5 -16,-0.1 5,-0.2 -0.388 23.2-111.9 -72.8 156.7 -5.9 51.7 23.3 66 82 A K H > S+ 0 0 94 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.877 122.2 53.6 -49.8 -39.8 -4.7 48.1 23.7 67 83 A E H > S+ 0 0 139 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.893 108.6 46.3 -65.4 -43.4 -8.3 47.4 24.9 68 84 A E H > S+ 0 0 82 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.830 109.7 55.5 -68.3 -35.5 -9.9 49.0 21.8 69 85 A A H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.918 108.0 48.4 -60.0 -45.3 -7.5 47.1 19.6 70 86 A L H X S+ 0 0 54 -4,-2.1 4,-2.8 2,-0.2 -2,-0.2 0.897 108.5 53.5 -63.0 -40.4 -8.6 43.8 21.2 71 87 A E H X S+ 0 0 111 -4,-1.8 4,-2.0 2,-0.2 -1,-0.2 0.895 110.9 48.0 -57.3 -43.8 -12.3 44.8 20.7 72 88 A L H X S+ 0 0 64 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.935 112.1 48.0 -62.2 -50.1 -11.5 45.4 17.0 73 89 A I H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.898 110.6 51.3 -55.6 -48.3 -9.7 42.0 16.7 74 90 A N H X S+ 0 0 74 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.892 109.5 51.5 -59.6 -41.7 -12.6 40.2 18.4 75 91 A G H X S+ 0 0 24 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.897 110.5 47.1 -57.7 -45.4 -15.0 41.8 15.9 76 92 A Y H X S+ 0 0 27 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.911 111.1 51.7 -68.0 -41.3 -13.0 40.7 12.9 77 93 A I H X S+ 0 0 22 -4,-2.5 4,-2.9 2,-0.2 5,-0.2 0.927 109.3 51.2 -58.9 -44.8 -12.7 37.1 14.3 78 94 A Q H X S+ 0 0 142 -4,-2.2 4,-2.1 1,-0.2 6,-0.3 0.923 112.0 46.3 -59.5 -44.9 -16.5 37.1 14.8 79 95 A K H X>S+ 0 0 75 -4,-2.3 6,-1.9 2,-0.2 4,-0.8 0.834 113.4 48.4 -67.9 -33.5 -17.1 38.2 11.1 80 96 A I H <5S+ 0 0 30 -4,-2.3 3,-0.5 2,-0.2 -2,-0.2 0.940 114.2 46.2 -70.9 -43.5 -14.6 35.7 9.8 81 97 A K H <5S+ 0 0 126 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.821 112.7 49.0 -67.7 -35.4 -16.1 32.8 11.8 82 98 A S H <5S- 0 0 86 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.641 109.9-122.9 -75.4 -18.2 -19.7 33.7 10.9 83 99 A G T <5S+ 0 0 60 -4,-0.8 -3,-0.2 -3,-0.5 -4,-0.1 0.443 78.2 123.8 86.2 0.9 -18.7 33.9 7.2 84 100 A E S - 0 0 92 -2,-0.3 4,-2.0 1,-0.1 3,-0.4 -0.612 25.3-114.9 -92.3 158.3 -13.4 36.5 4.7 87 103 A F H > S+ 0 0 9 1,-0.2 4,-2.4 -2,-0.2 5,-0.2 0.904 113.5 52.3 -50.6 -47.4 -10.0 36.8 6.3 88 104 A E H > S+ 0 0 73 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.823 108.1 50.2 -63.4 -36.4 -8.4 38.2 3.1 89 105 A S H > S+ 0 0 38 -3,-0.4 4,-1.7 2,-0.2 -1,-0.2 0.912 113.5 44.5 -72.0 -43.4 -10.9 41.0 2.7 90 106 A L H X S+ 0 0 1 -4,-2.0 4,-2.7 2,-0.2 5,-0.4 0.853 113.2 51.6 -66.9 -36.9 -10.6 42.2 6.3 91 107 A A H X S+ 0 0 0 -4,-2.4 4,-1.8 -5,-0.3 -2,-0.2 0.927 110.3 49.2 -66.0 -41.9 -6.8 42.0 6.2 92 108 A S H < S+ 0 0 43 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.875 120.9 35.6 -61.8 -40.4 -6.7 44.0 2.9 93 109 A Q H < S+ 0 0 89 -4,-1.7 -2,-0.2 -5,-0.1 -1,-0.2 0.845 132.6 18.6 -82.2 -35.9 -9.0 46.7 4.5 94 110 A F H < S+ 0 0 55 -4,-2.7 -3,-0.2 -5,-0.2 -2,-0.2 0.542 80.4 118.5-125.0 -9.8 -7.9 46.8 8.1 95 111 A S < - 0 0 0 -4,-1.8 -49,-0.2 -5,-0.4 5,-0.1 -0.443 50.4-149.2 -69.6 134.8 -4.5 45.3 8.8 96 112 A D S S+ 0 0 3 -51,-3.2 2,-0.3 -2,-0.2 -1,-0.1 0.149 75.2 89.6 -87.9 14.8 -1.9 47.8 10.2 97 113 A C S > S- 0 0 30 -52,-0.2 3,-2.1 -6,-0.2 4,-0.2 -0.879 86.2-124.0-107.5 148.6 0.8 45.8 8.4 98 114 A S G > S+ 0 0 94 -2,-0.3 3,-1.8 1,-0.3 4,-0.2 0.710 105.7 79.0 -62.0 -21.2 2.0 46.6 4.9 99 115 A S G > > + 0 0 15 1,-0.3 5,-2.3 2,-0.2 3,-1.9 0.605 68.1 87.7 -62.3 -12.9 1.2 42.9 4.1 100 116 A A G X 5S+ 0 0 1 -3,-2.1 3,-1.8 1,-0.3 -1,-0.3 0.867 79.2 63.0 -49.2 -38.3 -2.5 44.2 3.9 101 117 A K G < 5S+ 0 0 139 -3,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.681 104.1 46.7 -68.1 -16.8 -1.7 44.9 0.2 102 118 A A G X 5S- 0 0 37 -3,-1.9 3,-2.0 -4,-0.2 -1,-0.3 -0.158 129.2 -94.8-109.8 34.7 -1.1 41.1 -0.3 103 119 A R T < 5S- 0 0 131 -3,-1.8 -3,-0.2 1,-0.3 -12,-0.2 0.795 81.6 -58.9 59.4 30.8 -4.3 40.1 1.6 104 120 A G T 3 -C 38 0B 38 -2,-0.3 3,-0.8 -72,-0.2 4,-0.4 -0.648 43.7 -74.0-111.4 173.1 11.0 29.1 9.7 111 127 A R T 3 S+ 0 0 89 -74,-0.6 -1,-0.1 1,-0.2 5,-0.0 -0.408 116.1 43.9 -62.8 143.8 11.6 29.2 13.4 112 128 A G T 3 S+ 0 0 69 2,-0.2 -1,-0.2 -2,-0.1 3,-0.1 0.523 98.7 80.4 93.4 10.4 14.1 31.8 14.5 113 129 A Q S < S+ 0 0 103 -3,-0.8 2,-0.2 2,-0.1 -2,-0.1 0.788 81.0 46.6-114.7 -44.2 12.6 34.5 12.1 114 130 A M S S- 0 0 58 -4,-0.4 -2,-0.2 1,-0.2 5,-0.1 -0.597 99.2 -71.0-103.3 164.6 9.5 36.2 13.6 115 131 A Q > - 0 0 77 -2,-0.2 4,-2.4 1,-0.1 3,-0.5 -0.244 57.1-114.1 -49.3 137.7 8.6 37.6 17.0 116 132 A K H > S+ 0 0 114 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.844 111.5 49.4 -56.8 -46.6 8.3 34.6 19.3 117 133 A P H > S+ 0 0 60 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.898 114.9 48.5 -60.5 -35.7 4.6 34.7 20.2 118 134 A F H > S+ 0 0 7 -3,-0.5 4,-2.7 2,-0.2 -2,-0.2 0.924 113.5 46.1 -63.3 -50.7 3.8 35.0 16.5 119 135 A E H X S+ 0 0 1 -4,-2.4 4,-2.8 2,-0.2 5,-0.2 0.919 112.7 49.1 -59.8 -47.4 6.1 32.1 15.5 120 136 A D H X S+ 0 0 58 -4,-2.8 4,-1.1 -5,-0.2 -1,-0.2 0.928 113.5 45.9 -63.3 -44.3 4.9 29.9 18.2 121 137 A A H >X S+ 0 0 0 -4,-2.1 4,-1.3 -5,-0.3 3,-0.6 0.939 112.5 52.8 -62.2 -42.6 1.2 30.5 17.3 122 138 A S H 3< S+ 0 0 0 -4,-2.7 3,-0.4 1,-0.2 -2,-0.2 0.912 111.7 43.9 -59.0 -47.7 2.1 30.0 13.6 123 139 A F H 3< S+ 0 0 15 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.606 109.4 56.7 -75.2 -14.8 3.7 26.6 14.2 124 140 A A H << S+ 0 0 13 -4,-1.1 -1,-0.2 -3,-0.6 -2,-0.2 0.657 93.1 85.1 -89.1 -18.9 1.0 25.4 16.5 125 141 A L S < S- 0 0 1 -4,-1.3 2,-0.3 -3,-0.4 3,-0.1 -0.478 75.4-136.5 -71.6 148.1 -1.7 26.0 13.8 126 142 A R > - 0 0 68 -2,-0.1 3,-2.6 1,-0.1 19,-0.3 -0.696 46.8 -68.3 -96.8 164.8 -2.3 23.3 11.3 127 143 A T T 3 S+ 0 0 85 -2,-0.3 19,-0.2 1,-0.3 -1,-0.1 -0.266 125.0 17.2 -54.6 131.1 -2.7 24.2 7.6 128 144 A G T 3 S+ 0 0 56 17,-2.9 -1,-0.3 1,-0.3 2,-0.1 0.192 98.0 123.1 93.9 -16.9 -6.0 26.1 7.2 129 145 A E < - 0 0 38 -3,-2.6 16,-2.7 15,-0.1 2,-0.4 -0.473 48.6-146.0 -85.8 152.8 -6.4 27.0 10.9 130 146 A M B -E 144 0B 35 14,-0.2 14,-0.2 -2,-0.1 -106,-0.1 -0.929 10.3-134.1-117.8 142.0 -6.8 30.4 12.3 131 147 A S - 0 0 2 12,-2.9 -106,-0.2 -2,-0.4 3,-0.1 -0.276 14.5-124.3 -79.1 168.9 -5.5 31.8 15.6 132 148 A G - 0 0 6 -108,-2.3 11,-0.4 1,-0.2 2,-0.2 -0.141 69.9 -35.7 -82.9-158.2 -7.3 33.9 18.2 133 149 A P - 0 0 19 0, 0.0 2,-0.5 0, 0.0 -1,-0.2 -0.463 63.7-166.1 -64.7 126.4 -5.8 37.2 19.3 134 150 A V E -F 141 0B 5 7,-2.1 7,-3.1 -2,-0.2 2,-0.4 -0.988 8.6-147.2-119.0 124.0 -2.0 36.8 19.4 135 151 A F E +F 140 0B 87 -2,-0.5 2,-0.3 5,-0.2 5,-0.2 -0.773 27.0 156.7 -98.8 130.9 -0.1 39.6 21.3 136 152 A T E > -F 139 0B 15 3,-2.5 3,-1.0 -2,-0.4 -2,-0.0 -0.885 59.5 -93.6-134.7 175.1 3.3 40.8 20.3 137 153 A D T 3 S+ 0 0 123 -2,-0.3 -85,-3.0 1,-0.2 -84,-0.2 0.707 124.0 60.1 -61.2 -18.6 5.2 44.0 20.8 138 154 A S T 3 S- 0 0 24 1,-0.3 2,-0.3 -87,-0.2 -90,-0.2 0.746 120.3 -91.8 -81.0 -24.7 3.9 45.1 17.4 139 155 A G E < - F 0 136B 0 -3,-1.0 -3,-2.5 -92,-0.2 2,-0.4 -0.993 62.9 -34.4 148.4-148.3 0.2 44.9 18.4 140 156 A I E -DF 46 135B 0 -94,-2.9 -94,-2.9 -2,-0.3 2,-0.3 -0.950 56.8-163.4-116.6 132.9 -2.5 42.2 18.2 141 157 A H E -DF 45 134B 10 -7,-3.1 -7,-2.1 -2,-0.4 2,-0.5 -0.825 21.7-155.4-117.0 146.0 -2.6 39.6 15.3 142 158 A I E -D 44 0B 0 -98,-1.8 -98,-2.0 -2,-0.3 2,-0.5 -0.989 29.7-156.8-106.5 129.8 -5.1 37.2 13.8 143 159 A I E -D 43 0B 0 -2,-0.5 -12,-2.9 -11,-0.4 2,-0.5 -0.934 14.1-167.9-115.8 129.1 -3.0 34.5 12.1 144 160 A L E -DE 42 130B 28 -102,-3.0 -102,-2.4 -2,-0.5 2,-0.6 -0.969 15.3-145.5-111.8 120.4 -4.1 32.3 9.2 145 161 A R E +D 41 0B 23 -16,-2.7 -17,-2.9 -2,-0.5 -104,-0.3 -0.770 23.6 171.3 -86.4 121.3 -1.9 29.3 8.4 146 162 A T 0 0 48 -106,-2.7 -105,-0.2 -2,-0.6 -1,-0.2 0.725 360.0 360.0-102.7 -25.9 -2.0 28.7 4.7 147 163 A E 0 0 122 -107,-1.7 -107,-2.3 -20,-0.0 -1,-0.3 -0.972 360.0 360.0-146.9 360.0 0.8 26.1 4.1