==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 25-AUG-10 2XP5 . COMPND 2 MOLECULE: PEPTIDYL-PROLYL CIS-TRANS ISOMERASE NIMA-INTERACT . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR A.POTTER,V.OLDFIELD,C.NUNNS,C.FROMONT,S.RAY,C.J.NORTHFIELD, . 145 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8170.0 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 . 29 20.0 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+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 98 0, 0.0 3,-0.2 0, 0.0 4,-0.1 0.000 360.0 360.0 360.0 151.7 -16.8 4.1 35.2 2 8 A P > - 0 0 25 0, 0.0 3,-2.0 0, 0.0 121,-0.0 0.014 360.0 -49.6 -60.7 166.0 -17.1 7.2 32.9 3 9 A P T 3 S+ 0 0 103 0, 0.0 19,-0.1 0, 0.0 0, 0.0 -0.121 124.9 4.8 -45.8 124.4 -18.1 10.8 34.2 4 10 A G T 3 S+ 0 0 11 1,-0.2 17,-2.5 -3,-0.2 2,-0.3 0.256 95.1 129.4 95.6 -7.5 -21.3 10.8 36.3 5 11 A W E < +A 20 0A 6 -3,-2.0 2,-0.3 15,-0.2 15,-0.2 -0.647 27.8 173.0 -96.0 132.9 -21.9 7.0 36.5 6 12 A E E -A 19 0A 107 13,-3.1 13,-2.7 -2,-0.3 2,-0.3 -0.981 31.7-118.2-137.3 149.3 -22.5 5.0 39.6 7 13 A K E +A 18 0A 114 -2,-0.3 2,-0.2 11,-0.2 11,-0.2 -0.696 40.1 173.4 -83.8 136.0 -23.4 1.4 40.4 8 14 A A E -A 17 0A 30 9,-2.5 9,-1.9 -2,-0.3 2,-0.5 -0.802 30.4-107.3-135.6 175.0 -26.7 1.0 42.2 9 15 A M E -A 16 0A 116 -2,-0.2 7,-0.2 7,-0.2 2,-0.2 -0.940 30.7-118.9-113.4 129.0 -29.1 -1.8 43.3 10 16 A S > - 0 0 17 5,-3.2 4,-1.3 -2,-0.5 6,-0.0 -0.444 13.0-151.1 -63.4 129.6 -32.4 -2.5 41.7 11 17 A R T 4 S+ 0 0 240 -2,-0.2 -1,-0.1 1,-0.2 -2,-0.0 0.718 95.7 37.6 -79.8 -22.1 -35.3 -2.1 44.1 12 18 A S T 4 S+ 0 0 124 3,-0.1 -1,-0.2 1,-0.0 -2,-0.0 0.862 130.7 22.3 -89.6 -35.8 -37.4 -4.7 42.2 13 19 A S T 4 S- 0 0 61 2,-0.2 -2,-0.1 0, 0.0 3,-0.1 0.699 85.9-127.9-107.2 -30.1 -34.8 -7.3 41.1 14 20 A G < + 0 0 50 -4,-1.3 2,-0.3 1,-0.3 -3,-0.1 0.454 67.1 138.0 77.2 2.2 -31.9 -7.0 43.5 15 21 A R - 0 0 135 -6,-0.1 -5,-3.2 1,-0.1 -1,-0.3 -0.610 58.8-115.2 -76.7 139.3 -29.9 -6.8 40.2 16 22 A V E +A 9 0A 50 -2,-0.3 2,-0.3 -7,-0.2 -7,-0.2 -0.455 41.1 170.9 -61.0 143.6 -27.1 -4.2 40.0 17 23 A Y E -A 8 0A 66 -9,-1.9 -9,-2.5 -2,-0.1 2,-0.4 -0.832 29.6-111.3-143.6-173.0 -27.6 -1.4 37.4 18 24 A Y E -AB 7 27A 17 9,-2.9 9,-2.1 -2,-0.3 2,-0.4 -0.967 24.6-170.8-131.2 139.4 -25.9 1.8 36.5 19 25 A F E -AB 6 26A 70 -13,-2.7 -13,-3.1 -2,-0.4 2,-0.6 -0.968 12.6-148.6-131.9 140.8 -27.2 5.4 37.1 20 26 A N E > -A 5 0A 0 5,-2.8 4,-2.2 -2,-0.4 5,-0.3 -0.962 3.1-164.6-118.5 115.2 -25.7 8.6 35.8 21 27 A H T 4 S+ 0 0 102 -17,-2.5 -16,-0.1 -2,-0.6 -1,-0.1 0.576 88.6 50.5 -79.4 -5.8 -26.3 11.6 38.0 22 28 A I T 4 S+ 0 0 58 -18,-0.2 -1,-0.2 -19,-0.1 98,-0.1 0.837 126.7 22.7 -96.6 -35.9 -25.3 14.2 35.4 23 29 A T T 4 S- 0 0 0 2,-0.1 108,-2.8 100,-0.1 119,-0.2 0.582 95.2-131.0-107.3 -5.8 -27.6 12.8 32.6 24 30 A N < + 0 0 57 -4,-2.2 2,-0.2 1,-0.3 -3,-0.2 0.621 56.6 148.4 59.1 16.8 -30.1 10.9 34.7 25 31 A A - 0 0 8 -5,-0.3 -5,-2.8 106,-0.2 2,-0.3 -0.516 27.2-170.3 -75.3 153.0 -29.7 7.9 32.5 26 32 A S E +B 19 0A 48 -7,-0.2 2,-0.3 -2,-0.2 -7,-0.2 -0.994 11.6 159.4-144.3 139.4 -30.0 4.4 33.8 27 33 A Q E -B 18 0A 54 -9,-2.1 -9,-2.9 -2,-0.3 -2,-0.0 -0.983 41.9-128.7-152.8 154.7 -29.3 1.1 32.3 28 34 A W S S+ 0 0 106 -2,-0.3 -1,-0.1 -11,-0.2 -9,-0.0 0.907 86.9 81.4 -65.9 -46.8 -28.5 -2.6 33.2 29 35 A E S S- 0 0 130 1,-0.1 -11,-0.1 -11,-0.1 -2,-0.1 -0.299 93.1-106.2 -66.4 141.8 -25.3 -2.9 31.2 30 36 A R - 0 0 146 1,-0.1 -1,-0.1 -13,-0.1 -2,-0.1 -0.518 52.0-101.0 -66.2 133.7 -22.1 -1.5 32.7 31 37 A P 0 0 10 0, 0.0 -1,-0.1 0, 0.0 -26,-0.0 -0.308 360.0 360.0 -64.8 139.5 -21.3 1.8 30.8 32 38 A S 0 0 135 -31,-0.1 93,-0.0 -2,-0.0 0, 0.0 -0.924 360.0 360.0 149.8 360.0 -18.8 2.4 27.9 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 89,-0.1 0, 0.0 88,-0.0 0.000 360.0 360.0 360.0 115.7 -13.8 15.5 26.5 35 52 A P - 0 0 54 0, 0.0 3,-0.1 0, 0.0 0, 0.0 -0.185 360.0-132.9 -58.9 149.8 -14.8 16.7 22.9 36 53 A A S S+ 0 0 86 1,-0.1 74,-0.6 73,-0.1 2,-0.3 0.770 91.5 27.2 -63.4 -32.1 -14.7 20.6 22.3 37 54 A R E -C 109 0B 129 72,-0.2 2,-0.3 70,-0.0 72,-0.2 -0.956 62.7-175.6-136.9 147.4 -18.1 20.2 20.6 38 55 A V E -C 108 0B 2 70,-1.8 70,-2.5 -2,-0.3 2,-0.4 -0.944 17.9-141.0-134.3 158.5 -21.2 17.8 20.7 39 56 A R E +C 107 0B 82 107,-2.1 106,-2.8 -2,-0.3 107,-1.6 -0.995 29.1 173.5-119.4 131.8 -24.3 17.7 18.6 40 57 A C E - D 0 144B 0 66,-1.1 65,-2.4 -2,-0.4 66,-0.3 -0.957 23.6-155.0-136.4 149.4 -27.6 16.9 20.4 41 58 A S E -CD 104 143B 9 102,-2.3 102,-3.0 -2,-0.3 2,-0.3 -0.781 22.4-171.5-105.3 160.4 -31.3 16.7 19.7 42 59 A H E - D 0 142B 9 61,-1.8 2,-0.5 -2,-0.3 100,-0.2 -0.988 25.1-140.4-145.4 169.3 -33.8 17.1 22.5 43 60 A L E - D 0 141B 0 98,-1.9 98,-1.9 -2,-0.3 2,-0.5 -0.998 26.9-157.0-125.4 122.8 -37.5 16.8 23.3 44 61 A L E - D 0 140B 7 -2,-0.5 51,-3.1 96,-0.2 2,-0.6 -0.883 12.1-170.2-106.1 128.8 -38.7 19.5 25.6 45 62 A V E - D 0 139B 2 94,-3.0 94,-3.6 -2,-0.5 2,-0.2 -0.976 16.0-158.9-117.2 113.9 -41.8 19.3 27.9 46 63 A K - 0 0 19 -2,-0.6 2,-0.3 92,-0.2 92,-0.2 -0.458 8.2-168.9 -81.7 158.9 -42.6 22.6 29.4 47 64 A H > - 0 0 7 90,-0.3 3,-2.5 -2,-0.2 17,-0.2 -0.881 43.0 -81.2-140.3 179.7 -44.8 23.1 32.5 48 65 A S T 3 S+ 0 0 62 15,-3.1 16,-0.1 1,-0.3 13,-0.1 0.710 127.3 49.7 -58.0 -24.7 -46.5 25.9 34.4 49 66 A Q T 3 S+ 0 0 149 3,-0.1 -1,-0.3 13,-0.0 89,-0.1 0.300 82.0 123.7 -96.1 9.2 -43.2 27.0 36.1 50 67 A S S < S- 0 0 7 -3,-2.5 87,-0.2 1,-0.1 86,-0.1 -0.387 77.2-114.0 -61.2 151.2 -41.2 27.1 32.9 51 68 A R S S+ 0 0 147 85,-3.3 86,-0.1 1,-0.3 -1,-0.1 0.879 114.3 25.2 -54.5 -38.0 -39.5 30.4 32.2 52 69 A R S S- 0 0 141 84,-0.3 2,-2.8 85,-0.2 -1,-0.3 -0.810 74.4-164.8-127.3 93.2 -41.8 30.8 29.2 53 70 A P + 0 0 53 0, 0.0 8,-3.5 0, 0.0 2,-0.3 -0.237 64.2 84.8 -74.2 59.1 -45.0 28.7 29.7 54 71 A S + 0 0 36 -2,-2.8 2,-0.3 6,-0.2 5,-0.2 -0.978 49.5 164.1-152.6 142.9 -45.8 29.0 26.0 55 72 A S B > -G 58 0C 18 3,-2.6 3,-1.0 -2,-0.3 41,-0.1 -0.979 55.5 -89.8-151.5 175.0 -44.8 27.1 22.9 56 73 A W T 3 S+ 0 0 115 -2,-0.3 3,-0.2 39,-0.3 39,-0.1 0.776 125.7 51.7 -46.7 -26.8 -45.7 26.4 19.2 57 74 A R T 3 S+ 0 0 90 1,-0.3 2,-0.3 38,-0.1 -1,-0.2 0.772 122.8 13.5 -86.7 -24.8 -48.0 23.5 20.6 58 75 A Q B < -G 55 0C 70 -3,-1.0 -3,-2.6 1,-0.1 -1,-0.3 -0.936 58.5-145.8-163.8 116.4 -49.9 25.5 23.2 59 76 A E S S+ 0 0 174 -2,-0.3 2,-0.6 1,-0.2 -1,-0.1 0.885 97.5 27.0 -52.5 -46.2 -50.4 29.2 23.7 60 77 A K S S- 0 0 150 -6,-0.1 2,-0.5 -5,-0.0 -6,-0.2 -0.963 78.9-149.3-124.1 116.5 -50.6 28.8 27.5 61 78 A I + 0 0 2 -8,-3.5 -11,-0.1 -2,-0.6 -14,-0.1 -0.766 26.6 162.5 -85.5 127.1 -48.8 25.8 29.1 62 79 A T + 0 0 80 -2,-0.5 -1,-0.1 -16,-0.1 -14,-0.1 0.553 29.4 116.6-124.5 -18.5 -50.7 24.7 32.3 63 80 A R - 0 0 35 -17,-0.1 -15,-3.1 1,-0.1 2,-0.1 -0.195 67.6-114.6 -50.5 147.3 -49.5 21.2 33.0 64 81 A T > - 0 0 60 -17,-0.2 4,-2.7 -16,-0.1 3,-0.5 -0.438 24.0-104.9 -77.8 157.4 -47.7 21.0 36.3 65 82 A K H > S+ 0 0 89 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.928 123.9 49.8 -42.1 -45.4 -44.0 20.1 36.7 66 83 A E H > S+ 0 0 154 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.815 108.8 50.8 -70.2 -31.0 -45.0 16.6 37.9 67 84 A E H > S+ 0 0 87 -3,-0.5 4,-1.9 2,-0.2 -1,-0.2 0.891 109.9 51.7 -77.3 -35.0 -47.4 16.1 34.9 68 85 A A H X S+ 0 0 0 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.856 107.9 51.1 -61.1 -42.3 -44.5 17.1 32.6 69 86 A L H X S+ 0 0 52 -4,-1.9 4,-2.8 -5,-0.2 -2,-0.2 0.920 108.1 53.1 -68.4 -36.9 -42.2 14.6 34.3 70 87 A E H X S+ 0 0 141 -4,-1.9 4,-1.8 1,-0.2 -2,-0.2 0.890 109.5 47.6 -62.6 -42.8 -44.8 11.9 33.8 71 88 A L H X S+ 0 0 63 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.905 112.3 50.3 -59.2 -48.9 -45.1 12.8 30.0 72 89 A I H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.908 110.5 49.2 -54.0 -51.1 -41.2 12.7 29.7 73 90 A N H X S+ 0 0 69 -4,-2.8 4,-2.0 1,-0.2 -1,-0.2 0.855 110.3 50.9 -59.7 -41.4 -41.1 9.3 31.5 74 91 A G H X S+ 0 0 26 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.882 111.9 48.0 -59.9 -44.9 -43.8 7.9 29.1 75 92 A Y H X S+ 0 0 25 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.905 110.7 50.5 -69.9 -34.9 -41.8 9.1 26.1 76 93 A I H X S+ 0 0 19 -4,-2.6 4,-2.9 1,-0.2 5,-0.2 0.927 109.2 51.8 -68.2 -40.7 -38.6 7.6 27.4 77 94 A Q H X S+ 0 0 139 -4,-2.0 4,-2.0 1,-0.2 6,-0.3 0.910 112.2 46.0 -60.6 -42.8 -40.4 4.2 27.9 78 95 A K H X>S+ 0 0 73 -4,-2.0 6,-1.8 2,-0.2 5,-0.9 0.876 113.4 48.3 -69.0 -37.2 -41.6 4.3 24.3 79 96 A I H ><5S+ 0 0 30 -4,-2.2 3,-0.9 2,-0.2 -2,-0.2 0.933 114.6 45.6 -65.5 -47.3 -38.3 5.2 22.9 80 97 A K H 3<5S+ 0 0 129 -4,-2.9 -2,-0.2 1,-0.3 -1,-0.2 0.812 112.5 50.3 -69.6 -33.0 -36.5 2.5 25.0 81 98 A S H 3<5S- 0 0 81 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.595 110.1-124.6 -73.9 -12.0 -39.0 -0.1 24.1 82 99 A G T <<5S+ 0 0 64 -3,-0.9 -3,-0.2 -4,-0.6 -4,-0.1 0.484 78.7 123.0 74.9 5.1 -38.6 0.8 20.3 83 100 A E S - 0 0 93 -2,-0.3 4,-2.1 1,-0.1 5,-0.2 -0.665 22.5-116.6 -98.7 158.5 -38.5 6.7 18.0 86 103 A F H > S+ 0 0 7 -2,-0.3 4,-2.8 1,-0.2 5,-0.2 0.878 111.1 52.6 -50.8 -46.4 -37.0 9.7 19.5 87 104 A E H > S+ 0 0 72 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.867 109.3 49.4 -65.8 -38.7 -37.3 11.9 16.3 88 105 A S H > S+ 0 0 36 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.929 112.8 44.6 -70.0 -44.2 -40.9 11.1 15.9 89 106 A L H X S+ 0 0 3 -4,-2.1 4,-2.5 2,-0.2 5,-0.5 0.877 114.2 52.5 -63.6 -38.5 -41.8 12.0 19.6 90 107 A A H X S+ 0 0 0 -4,-2.8 4,-2.3 -5,-0.2 -2,-0.2 0.978 109.9 48.1 -61.9 -49.6 -39.6 15.1 19.3 91 108 A S H < S+ 0 0 41 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.884 122.3 33.4 -51.1 -47.6 -41.4 16.2 16.1 92 109 A Q H < S+ 0 0 89 -4,-2.0 -1,-0.2 -5,-0.1 -2,-0.2 0.860 132.6 21.6 -78.9 -37.5 -44.9 15.7 17.5 93 110 A F H < S+ 0 0 56 -4,-2.5 -3,-0.2 -5,-0.2 2,-0.2 0.575 82.0 114.2-122.5 -12.2 -44.5 16.6 21.2 94 111 A S < - 0 0 0 -4,-2.3 -49,-0.2 -5,-0.5 5,-0.1 -0.486 51.3-149.7 -69.3 138.0 -41.5 18.8 21.9 95 112 A D S S+ 0 0 3 -51,-3.1 2,-0.3 -2,-0.2 -39,-0.3 0.212 74.1 90.2 -89.1 10.0 -42.3 22.3 23.2 96 113 A C S > S- 0 0 29 -52,-0.2 3,-2.1 -6,-0.2 4,-0.2 -0.802 85.1-125.3-104.5 152.2 -39.2 23.7 21.5 97 114 A S G > S+ 0 0 96 -2,-0.3 3,-1.7 1,-0.3 4,-0.2 0.732 106.0 78.0 -70.5 -16.1 -39.2 25.1 17.9 98 115 A S G > > + 0 0 16 1,-0.3 5,-2.4 2,-0.2 3,-1.6 0.565 68.9 88.6 -62.7 -8.1 -36.4 22.6 17.2 99 116 A A G X 5S+ 0 0 1 -3,-2.1 3,-2.0 1,-0.3 -1,-0.3 0.870 78.1 63.8 -52.2 -36.3 -39.3 20.0 17.1 100 117 A K G < 5S+ 0 0 139 -3,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.698 103.1 47.2 -68.5 -16.8 -39.5 21.0 13.3 101 118 A A G X 5S- 0 0 52 -3,-1.6 3,-1.9 -4,-0.2 -1,-0.3 -0.099 129.9 -95.0-109.3 32.3 -36.0 19.6 12.9 102 119 A R T < 5S- 0 0 167 -3,-2.0 -3,-0.2 1,-0.3 -2,-0.2 0.801 81.9 -59.2 60.7 28.5 -36.8 16.3 14.8 103 120 A G T 3 -C 37 0B 35 -2,-0.3 3,-0.8 -72,-0.2 4,-0.3 -0.682 43.6 -73.2-113.0 175.5 -19.5 23.9 22.7 110 127 A R T 3 S+ 0 0 85 -74,-0.6 -1,-0.1 1,-0.2 5,-0.0 -0.377 114.2 48.7 -65.7 150.5 -19.5 24.6 26.5 111 128 A G T 3 S+ 0 0 67 2,-0.2 -1,-0.2 -3,-0.1 4,-0.1 0.436 97.3 76.4 92.3 7.5 -20.5 28.0 27.5 112 129 A Q S < S+ 0 0 110 -3,-0.8 2,-0.2 2,-0.1 -2,-0.1 0.792 81.5 51.3-115.2 -37.7 -23.7 28.1 25.3 113 130 A M S S- 0 0 58 -4,-0.3 -2,-0.2 1,-0.2 5,-0.0 -0.521 99.9 -71.8 -98.5 164.9 -26.6 26.2 26.8 114 131 A Q > - 0 0 48 -2,-0.2 4,-2.9 1,-0.1 3,-0.4 -0.290 56.1-115.2 -47.3 136.6 -28.2 26.2 30.2 115 132 A K H > S+ 0 0 117 1,-0.3 4,-3.3 2,-0.2 5,-0.3 0.873 112.7 48.1 -57.4 -43.5 -25.7 24.5 32.4 116 133 A P H > S+ 0 0 61 0, 0.0 4,-2.0 0, 0.0 -1,-0.3 0.885 113.9 50.0 -63.2 -37.1 -27.7 21.4 33.4 117 134 A F H > S+ 0 0 6 -3,-0.4 4,-2.4 2,-0.2 -2,-0.2 0.938 114.6 45.0 -60.0 -48.9 -28.5 20.9 29.6 118 135 A E H X S+ 0 0 2 -4,-2.9 4,-2.8 1,-0.2 5,-0.2 0.921 111.6 49.7 -65.0 -45.5 -24.8 21.3 28.7 119 136 A D H X S+ 0 0 55 -4,-3.3 4,-1.1 -5,-0.2 -1,-0.2 0.928 112.3 48.0 -62.2 -45.5 -23.4 19.1 31.4 120 137 A A H >X S+ 0 0 0 -4,-2.0 4,-1.1 -5,-0.3 3,-0.8 0.967 112.4 50.6 -57.9 -42.9 -25.9 16.3 30.5 121 138 A S H 3< S+ 0 0 0 -4,-2.4 3,-0.4 1,-0.2 -2,-0.2 0.898 111.0 47.4 -61.8 -44.5 -24.9 16.7 26.8 122 139 A F H 3< S+ 0 0 12 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.617 110.3 53.3 -72.2 -11.0 -21.1 16.5 27.4 123 140 A A H << S+ 0 0 12 -4,-1.1 2,-0.2 -3,-0.8 -1,-0.2 0.580 92.2 85.2-100.6 -12.4 -21.5 13.5 29.6 124 141 A L S < S- 0 0 1 -4,-1.1 2,-0.2 -3,-0.4 3,-0.1 -0.602 75.4-135.5 -79.2 147.2 -23.5 11.4 27.1 125 142 A R > - 0 0 67 -2,-0.2 3,-2.6 1,-0.1 19,-0.3 -0.618 45.3 -68.7 -92.2 167.5 -21.4 9.5 24.6 126 143 A T T 3 S+ 0 0 81 1,-0.3 19,-0.2 -2,-0.2 -1,-0.1 -0.308 125.2 18.4 -57.4 133.3 -22.3 9.6 20.9 127 144 A G T 3 S+ 0 0 56 17,-2.7 -1,-0.3 1,-0.3 2,-0.2 0.156 98.5 120.8 99.7 -22.7 -25.6 7.7 20.5 128 145 A E < - 0 0 33 -3,-2.6 16,-2.6 15,-0.1 2,-0.4 -0.508 49.6-145.3 -91.9 157.0 -26.7 7.8 24.1 129 146 A M B -E 143 0B 33 14,-0.2 14,-0.2 -2,-0.2 -106,-0.1 -0.899 11.8-131.9-119.0 143.0 -29.8 9.3 25.5 130 147 A S - 0 0 3 12,-2.9 -106,-0.2 -2,-0.4 3,-0.1 -0.248 16.2-123.1 -79.2 169.4 -30.3 11.2 28.8 131 148 A G S S- 0 0 5 -108,-2.8 11,-0.5 1,-0.2 -106,-0.2 -0.208 70.1 -39.1 -84.6-158.1 -33.0 10.6 31.4 132 149 A P - 0 0 21 0, 0.0 2,-0.5 0, 0.0 -1,-0.2 -0.438 64.5-166.0 -68.5 129.7 -35.2 13.6 32.4 133 150 A V E -F 140 0B 5 7,-2.0 7,-3.3 -2,-0.2 2,-0.4 -0.985 7.8-147.7-121.6 127.6 -33.0 16.7 32.6 134 151 A F E +F 139 0B 87 -2,-0.5 2,-0.3 5,-0.2 5,-0.2 -0.789 28.4 151.6-104.2 134.4 -34.5 19.8 34.3 135 152 A T E > -F 138 0B 15 3,-2.5 3,-0.8 -2,-0.4 -2,-0.0 -0.863 62.5 -87.9-137.9 178.9 -33.7 23.4 33.3 136 153 A D T 3 S+ 0 0 115 -2,-0.3 -85,-3.3 1,-0.2 -84,-0.3 0.738 124.6 61.9 -57.8 -23.0 -35.6 26.7 33.6 137 154 A S T 3 S- 0 0 11 1,-0.2 2,-0.3 -87,-0.2 -90,-0.3 0.831 119.1 -99.1 -72.3 -32.8 -37.1 25.9 30.1 138 155 A G E < - F 0 135B 0 -3,-0.8 -3,-2.5 -92,-0.2 2,-0.5 -0.998 63.0 -25.3 149.8-147.5 -38.8 22.8 31.4 139 156 A I E -DF 45 134B 0 -94,-3.6 -94,-3.0 -2,-0.3 2,-0.3 -0.910 59.8-162.1-108.3 134.8 -37.9 19.0 31.3 140 157 A H E -DF 44 133B 7 -7,-3.3 -7,-2.0 -2,-0.5 2,-0.5 -0.808 22.2-159.6-117.1 147.2 -35.7 17.6 28.5 141 158 A I E -D 43 0B 0 -98,-1.9 -98,-1.9 -2,-0.3 2,-0.4 -1.000 29.2-159.7-109.3 128.9 -34.8 14.2 27.0 142 159 A I E -D 42 0B 0 -2,-0.5 -12,-2.9 -11,-0.5 2,-0.5 -0.896 14.4-166.6-116.4 138.9 -31.5 14.7 25.2 143 160 A L E -DE 41 129B 30 -102,-3.0 -102,-2.3 -2,-0.4 2,-0.6 -0.980 15.2-145.8-120.7 121.7 -30.0 12.5 22.5 144 161 A R E +D 40 0B 20 -16,-2.6 -17,-2.7 -2,-0.5 -104,-0.3 -0.819 22.0 174.4 -87.7 120.6 -26.3 13.0 21.7 145 162 A T 0 0 48 -106,-2.8 -105,-0.2 -2,-0.6 -1,-0.1 0.603 360.0 360.0-101.1 -21.2 -25.9 12.5 18.0 146 163 A E 0 0 121 -107,-1.6 -107,-2.1 -21,-0.0 -1,-0.3 -0.961 360.0 360.0-155.1 360.0 -22.1 13.4 17.5