==== 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 17-JUL-09 3ICH . COMPND 2 MOLECULE: PEPTIDYL-PROLYL CIS-TRANS ISOMERASE B; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR G.KOZLOV,K.GEHRING . 180 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8472.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 115 63.9 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 . 57 31.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.6 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 . 14 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 20 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.6 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 0 0 0 1 0 0 0 0 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 . 4 0 3 2 0 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 1 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 5 A K 0 0 112 0, 0.0 175,-0.2 0, 0.0 177,-0.1 0.000 360.0 360.0 360.0 5.5 -25.3 15.8 -6.1 2 6 A K + 0 0 103 174,-0.1 176,-0.1 175,-0.0 3,-0.1 0.542 360.0 85.2-106.1 -12.6 -25.8 16.9 -2.4 3 7 A G S S- 0 0 17 174,-0.8 175,-0.1 1,-0.2 176,-0.0 0.143 91.4 -48.1 -78.3-164.5 -22.1 17.5 -1.5 4 8 A P - 0 0 12 0, 0.0 173,-1.9 0, 0.0 2,-0.4 -0.250 59.1-110.2 -69.4 156.4 -19.8 20.5 -1.9 5 9 A K E -A 176 0A 99 171,-0.2 2,-0.5 -3,-0.1 26,-0.5 -0.732 17.1-130.9 -91.7 131.8 -19.5 22.4 -5.2 6 10 A V E +A 175 0A 0 169,-3.0 169,-1.4 -2,-0.4 23,-0.2 -0.725 31.2 172.2 -74.4 121.9 -16.4 22.2 -7.3 7 11 A T E + 0 0 31 21,-2.6 164,-0.6 -2,-0.5 2,-0.3 0.525 62.7 4.3-110.9 -13.6 -15.7 25.9 -8.1 8 12 A V E -AB 170 28A 18 20,-0.8 20,-2.7 162,-0.2 -1,-0.4 -0.954 66.2-136.6-166.5 155.9 -12.3 25.6 -9.8 9 13 A K E -AB 169 27A 44 160,-2.4 160,-2.4 -2,-0.3 2,-0.4 -0.889 7.9-158.0-122.7 156.1 -9.9 22.8 -10.9 10 14 A V E -AB 168 26A 0 16,-1.8 16,-2.9 -2,-0.3 2,-0.4 -0.991 6.9-154.7-129.8 139.4 -6.1 22.3 -10.6 11 15 A Y E -AB 167 25A 46 156,-2.2 156,-1.7 -2,-0.4 2,-0.4 -0.913 5.2-168.2-110.0 144.8 -3.8 20.1 -12.7 12 16 A F E -AB 166 24A 1 12,-2.4 12,-2.6 -2,-0.4 2,-0.6 -0.999 9.3-155.9-120.7 131.8 -0.5 18.6 -11.8 13 17 A D E -AB 165 23A 38 152,-3.0 151,-1.7 -2,-0.4 152,-1.3 -0.949 27.4-158.7-102.2 118.6 1.7 16.9 -14.5 14 18 A L E -AB 163 22A 4 8,-2.8 7,-2.4 -2,-0.6 8,-0.8 -0.707 19.5-171.6-109.2 150.0 3.9 14.5 -12.6 15 19 A R E -AB 162 20A 63 147,-1.9 147,-2.0 -2,-0.3 2,-0.5 -0.978 13.4-153.9-131.3 146.3 7.2 12.7 -13.2 16 20 A I E > S-AB 161 19A 10 3,-2.4 3,-1.4 -2,-0.3 145,-0.2 -0.974 75.2 -47.7-117.7 110.7 8.9 10.0 -11.2 17 21 A G T 3 S- 0 0 28 143,-2.7 145,-0.2 -2,-0.5 142,-0.0 -0.401 124.8 -21.7 54.3-135.4 12.6 10.3 -11.8 18 22 A D T 3 S+ 0 0 144 -3,-0.1 2,-0.5 2,-0.1 -1,-0.2 -0.028 117.1 104.1 -93.8 32.5 12.9 10.7 -15.6 19 23 A E E < -B 16 0A 98 -3,-1.4 -3,-2.4 2,-0.0 2,-0.5 -0.962 67.2-138.6-114.9 123.1 9.6 9.0 -16.3 20 24 A D E +B 15 0A 119 -2,-0.5 -5,-0.2 -5,-0.2 -2,-0.1 -0.697 23.9 178.5 -73.3 123.3 6.5 11.1 -17.3 21 25 A V E - 0 0 23 -7,-2.4 -6,-0.2 -2,-0.5 -1,-0.1 0.383 37.1-112.9-115.1 3.4 3.6 9.5 -15.3 22 26 A G E -B 14 0A 34 -8,-0.8 -8,-2.8 120,-0.0 2,-0.4 -0.408 37.3 -43.7 105.2-173.1 0.7 11.7 -16.3 23 27 A R E -B 13 0A 98 -10,-0.2 2,-0.4 -2,-0.1 119,-0.2 -0.807 30.8-163.9-109.7 136.7 -1.8 14.3 -15.1 24 28 A V E -B 12 0A 1 -12,-2.6 -12,-2.4 -2,-0.4 2,-0.4 -0.956 10.4-161.7-111.0 136.0 -3.9 14.6 -12.0 25 29 A I E -BC 11 138A 15 113,-2.8 112,-3.2 -2,-0.4 113,-2.0 -0.987 5.3-163.6-120.8 128.5 -6.9 17.0 -11.9 26 30 A F E -BC 10 136A 0 -16,-2.9 -16,-1.8 -2,-0.4 2,-0.5 -0.827 12.8-143.7-105.9 146.4 -8.4 18.1 -8.6 27 31 A G E -BC 9 135A 0 108,-3.0 108,-2.1 -2,-0.3 2,-0.3 -0.943 22.5-152.2-103.6 132.9 -11.8 19.8 -8.0 28 32 A L E -BC 8 134A 0 -20,-2.7 -21,-2.6 -2,-0.5 2,-1.2 -0.831 13.9-132.1-113.3 146.9 -11.6 22.4 -5.2 29 33 A F >> + 0 0 0 104,-2.5 4,-2.6 -2,-0.3 3,-0.6 -0.587 34.3 164.7-101.1 72.8 -14.5 23.5 -2.9 30 34 A G T 34 S+ 0 0 15 -2,-1.2 -1,-0.2 1,-0.2 8,-0.1 0.638 72.7 54.4 -68.5 -18.7 -14.2 27.3 -3.1 31 35 A K T 34 S+ 0 0 162 -26,-0.5 -1,-0.2 2,-0.2 -2,-0.1 0.819 115.9 38.9 -80.0 -31.6 -17.7 27.9 -1.6 32 36 A T T <4 S+ 0 0 26 -3,-0.6 -2,-0.2 -27,-0.3 61,-0.1 0.895 137.5 10.5 -83.6 -45.4 -16.9 25.8 1.5 33 37 A V X + 0 0 0 -4,-2.6 4,-2.8 100,-0.1 5,-0.2 -0.525 68.8 161.6-136.9 65.9 -13.2 26.8 2.1 34 38 A P H > S+ 0 0 51 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.861 76.2 51.4 -59.8 -38.1 -12.3 29.7 -0.1 35 39 A K H > S+ 0 0 110 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.925 114.9 42.1 -66.1 -42.3 -9.2 30.8 1.9 36 40 A T H > S+ 0 0 0 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.907 117.0 47.8 -71.1 -42.7 -7.8 27.3 1.8 37 41 A V H X S+ 0 0 1 -4,-2.8 4,-3.0 1,-0.2 5,-0.3 0.936 108.7 54.2 -60.9 -47.7 -8.7 26.7 -1.9 38 42 A D H X S+ 0 0 85 -4,-2.9 4,-2.4 -5,-0.2 -1,-0.2 0.865 108.4 50.3 -58.7 -39.0 -7.3 30.1 -2.9 39 43 A N H X S+ 0 0 0 -4,-1.6 4,-2.3 -5,-0.2 -1,-0.2 0.961 113.1 44.2 -60.2 -54.2 -4.0 29.2 -1.4 40 44 A F H X S+ 0 0 0 -4,-2.0 4,-2.0 1,-0.2 -2,-0.2 0.922 115.5 48.2 -58.9 -46.6 -3.7 25.8 -3.1 41 45 A V H X S+ 0 0 13 -4,-3.0 4,-2.4 1,-0.2 5,-0.2 0.927 112.1 48.2 -62.0 -46.4 -4.9 27.3 -6.4 42 46 A A H X>S+ 0 0 5 -4,-2.4 4,-1.6 -5,-0.3 5,-0.8 0.856 110.8 51.4 -64.5 -35.2 -2.4 30.2 -6.3 43 47 A L H <5S+ 0 0 0 -4,-2.3 9,-2.0 2,-0.2 10,-0.5 0.860 110.8 49.9 -68.6 -33.3 0.4 27.9 -5.4 44 48 A A H <5S+ 0 0 2 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.868 115.4 41.0 -70.8 -39.3 -0.5 25.7 -8.4 45 49 A T H <5S- 0 0 45 -4,-2.4 -2,-0.2 122,-0.2 -1,-0.2 0.723 98.9-138.6 -78.5 -21.7 -0.6 28.7 -10.8 46 50 A G T ><5 + 0 0 31 -4,-1.6 3,-2.1 -5,-0.2 -3,-0.2 0.626 52.8 146.2 71.8 16.9 2.5 30.2 -9.2 47 51 A E T 3 < + 0 0 114 -5,-0.8 -4,-0.1 1,-0.3 4,-0.1 0.559 62.9 55.7 -69.1 -11.7 0.9 33.6 -9.5 48 52 A K T 3 S- 0 0 118 2,-0.5 -1,-0.3 -6,-0.5 3,-0.1 0.403 125.6 -95.4 -96.8 0.1 2.4 35.0 -6.3 49 53 A G S < S+ 0 0 72 -3,-2.1 2,-0.3 1,-0.3 -2,-0.2 0.573 101.0 52.2 99.7 12.2 6.0 34.2 -7.5 50 54 A F + 0 0 60 -8,-0.2 -2,-0.5 -4,-0.1 2,-0.3 -0.954 61.6 103.9-164.3 164.5 6.4 30.9 -5.8 51 55 A G S S- 0 0 12 -2,-0.3 -7,-0.2 2,-0.2 -8,-0.1 -0.996 70.4 -26.4 151.3-155.4 4.6 27.6 -5.6 52 56 A Y S > S+ 0 0 0 -9,-2.0 3,-2.4 -2,-0.3 111,-0.3 0.699 82.5 111.1 -76.2 -24.8 4.3 23.9 -6.5 53 57 A K T 3 S+ 0 0 116 -10,-0.5 111,-0.2 1,-0.3 -2,-0.2 -0.298 92.8 8.1 -57.5 133.7 6.0 23.9 -10.0 54 58 A N T 3 S+ 0 0 119 109,-3.2 -1,-0.3 1,-0.3 110,-0.1 0.348 102.8 124.3 76.3 -1.0 9.3 21.9 -9.8 55 59 A S < - 0 0 10 -3,-2.4 108,-2.8 108,-0.3 2,-0.3 -0.373 52.2-130.3 -85.7 166.8 8.6 20.8 -6.2 56 60 A K B -D 162 0A 51 14,-0.4 2,-0.6 106,-0.2 14,-0.4 -0.847 14.1-113.8-121.2 153.2 8.6 17.2 -5.0 57 61 A F - 0 0 2 104,-2.2 104,-0.5 -2,-0.3 11,-0.3 -0.771 30.9-172.4 -79.8 122.0 6.3 14.9 -3.0 58 62 A H + 0 0 12 9,-0.8 2,-0.4 -2,-0.6 10,-0.2 0.525 60.6 42.2-101.4 -7.7 8.2 14.0 0.1 59 63 A R E +E 67 0A 73 8,-1.5 8,-2.9 97,-0.2 2,-0.4 -0.967 54.3 174.9-147.1 127.9 6.1 11.4 1.8 60 64 A V E +E 66 0A 5 95,-2.6 2,-0.5 -2,-0.4 6,-0.2 -0.996 2.3 179.3-133.7 123.3 4.3 8.4 0.4 61 65 A I E >> -E 65 0A 44 4,-2.8 4,-1.6 -2,-0.4 3,-1.6 -0.935 29.0-129.1-128.8 109.0 2.5 5.7 2.5 62 66 A K T 34 S+ 0 0 113 -2,-0.5 86,-0.1 1,-0.3 82,-0.0 -0.240 94.1 16.2 -53.4 136.4 0.8 3.0 0.5 63 67 A D T 34 S+ 0 0 100 1,-0.1 -1,-0.3 57,-0.1 56,-0.0 0.717 129.6 54.4 65.9 24.7 -2.8 2.4 1.5 64 68 A F T <4 S- 0 0 37 -3,-1.6 56,-2.6 1,-0.2 57,-0.9 0.300 104.7 -60.1-140.8 -74.2 -2.9 5.8 3.3 65 69 A M E < -EF 61 119A 0 -4,-1.6 -4,-2.8 54,-0.3 2,-0.4 -0.978 27.6-117.1-167.4 169.3 -1.8 8.9 1.2 66 70 A I E -EF 60 118A 0 52,-2.0 52,-3.0 -2,-0.3 2,-0.4 -0.973 31.8-154.6-120.2 143.9 0.8 10.8 -0.8 67 71 A Q E +EF 59 117A 11 -8,-2.9 -8,-1.5 -2,-0.4 -9,-0.8 -0.972 23.7 145.8-128.6 129.1 2.0 14.1 0.6 68 72 A G E + F 0 116A 0 48,-1.7 48,-2.2 -2,-0.4 37,-0.2 -0.706 26.6 96.6-139.5-169.8 3.5 17.1 -1.3 69 73 A G + 0 0 0 -13,-0.3 2,-1.8 46,-0.3 11,-0.3 0.307 45.4 124.8 102.8 -7.4 3.7 20.9 -1.2 70 74 A D > + 0 0 1 -14,-0.4 4,-1.0 1,-0.2 -14,-0.4 -0.616 24.3 158.6 -83.5 83.6 7.0 21.5 0.5 71 75 A F T 4 + 0 0 41 -2,-1.8 -1,-0.2 1,-0.2 -20,-0.1 0.428 66.5 53.6 -86.8 -1.2 8.4 23.6 -2.2 72 76 A T T 4 S+ 0 0 51 -3,-0.1 -1,-0.2 -17,-0.0 -2,-0.1 0.779 130.8 3.8-100.2 -33.0 11.0 25.3 0.0 73 77 A R T 4 S- 0 0 175 0, 0.0 -2,-0.1 0, 0.0 -3,-0.1 0.537 79.1-141.3-127.2 -20.5 12.8 22.3 1.6 74 78 A G S < S+ 0 0 9 -4,-1.0 -3,-0.1 1,-0.1 -4,-0.0 0.722 83.2 80.4 62.0 25.2 11.3 19.2 -0.0 75 79 A D S S- 0 0 60 81,-0.0 -1,-0.1 -7,-0.0 -4,-0.1 0.387 110.0 -93.0-141.0 1.7 11.3 17.2 3.2 76 80 A G S S+ 0 0 28 -6,-0.1 39,-0.1 -17,-0.0 -2,-0.0 0.165 107.4 90.6 103.1 -16.2 8.2 18.3 5.3 77 81 A T S S+ 0 0 98 -7,-0.1 2,-0.0 -4,-0.0 0, 0.0 0.607 87.8 42.2 -85.7 -13.6 10.0 21.0 7.3 78 82 A G + 0 0 7 -8,-0.0 36,-0.3 2,-0.0 37,-0.2 -0.007 53.0 113.4-114.7-146.5 9.2 23.8 4.8 79 83 A G - 0 0 1 34,-0.1 2,-0.3 35,-0.1 -9,-0.1 0.064 36.8-147.5 89.0 154.2 6.6 25.3 2.6 80 84 A K - 0 0 75 -11,-0.3 5,-0.2 33,-0.1 2,-0.1 -0.975 8.8-130.3-152.8 151.9 4.8 28.6 2.9 81 85 A S B > -I 84 0B 3 3,-2.3 3,-1.3 -2,-0.3 33,-0.1 -0.448 32.0-106.0 -94.9 173.2 1.3 29.9 2.1 82 86 A I T 3 S+ 0 0 41 1,-0.2 3,-0.1 31,-0.2 -1,-0.1 0.537 122.6 57.6 -71.2 -5.7 0.2 32.9 0.1 83 87 A Y T 3 S- 0 0 79 1,-0.5 -1,-0.2 30,-0.1 2,-0.2 0.247 125.5 -82.8-105.8 8.3 -0.7 34.3 3.6 84 88 A G B < S-I 81 0B 39 -3,-1.3 -3,-2.3 1,-0.2 -1,-0.5 -0.705 75.4 -36.5 113.5-171.4 2.7 34.0 5.1 85 89 A E S S+ 0 0 127 -2,-0.2 2,-0.3 -5,-0.2 -1,-0.2 0.909 124.6 2.2 -55.5 -48.8 4.5 31.1 6.6 86 90 A R - 0 0 92 -3,-0.2 27,-0.2 -6,-0.1 -1,-0.1 -0.942 62.1-166.0-138.9 157.0 1.4 29.6 8.3 87 91 A F B -J 112 0C 17 25,-2.2 25,-1.9 -2,-0.3 3,-0.1 -0.977 29.6 -94.4-143.3 155.8 -2.3 30.3 8.5 88 92 A P - 0 0 79 0, 0.0 2,-0.3 0, 0.0 3,-0.1 -0.193 46.8 -86.8 -71.3 161.0 -5.2 29.1 10.7 89 93 A D - 0 0 28 1,-0.2 3,-0.1 40,-0.0 41,-0.0 -0.518 35.4-155.8 -63.3 121.2 -7.6 26.3 10.1 90 94 A E - 0 0 54 -2,-0.3 2,-0.3 1,-0.3 -1,-0.2 0.965 59.5 -49.4 -69.0 -55.5 -10.5 27.8 8.1 91 95 A N - 0 0 31 -3,-0.1 -1,-0.3 41,-0.1 41,-0.2 -0.949 33.6-128.7-167.1 170.6 -13.2 25.2 9.1 92 96 A F + 0 0 82 -2,-0.3 36,-0.1 39,-0.1 38,-0.1 -0.185 61.1 129.0-118.4 39.0 -13.7 21.5 9.3 93 97 A K + 0 0 148 -61,-0.1 2,-0.3 39,-0.1 -1,-0.1 0.846 64.3 58.1 -62.8 -36.0 -17.0 21.4 7.4 94 98 A L S S- 0 0 14 38,-0.3 38,-0.5 -3,-0.2 34,-0.3 -0.751 71.1-153.5-102.3 145.3 -15.8 18.7 5.1 95 99 A K - 0 0 116 -2,-0.3 2,-1.5 32,-0.1 3,-0.1 -0.582 36.4 -95.3-104.8 171.0 -14.6 15.2 6.1 96 100 A H + 0 0 1 -2,-0.2 27,-0.2 1,-0.2 31,-0.1 -0.700 51.8 175.7 -84.4 85.9 -12.3 12.7 4.4 97 101 A Y - 0 0 39 -2,-1.5 -1,-0.2 83,-0.1 25,-0.1 0.731 51.6 -36.0 -75.2 -24.6 -15.2 10.9 2.7 98 102 A G S > S- 0 0 2 82,-0.3 3,-1.3 23,-0.2 25,-0.3 -0.955 89.2 -32.8-174.8-173.6 -13.2 8.4 0.6 99 103 A P T 3 S+ 0 0 57 0, 0.0 21,-0.2 0, 0.0 23,-0.1 -0.277 117.5 30.0 -60.3 148.3 -10.1 7.8 -1.5 100 104 A G T 3 S+ 0 0 2 19,-2.4 36,-2.8 1,-0.3 2,-0.2 0.397 80.1 138.9 84.7 -2.8 -8.8 10.8 -3.4 101 105 A W E < -G 135 0A 0 -3,-1.3 18,-2.4 34,-0.2 2,-0.4 -0.536 43.1-142.5 -76.0 144.5 -10.0 13.5 -1.0 102 106 A V E +GH 134 118A 0 32,-3.0 31,-2.4 16,-0.2 32,-1.4 -0.930 26.1 163.0-119.0 129.8 -7.5 16.3 -0.4 103 107 A S E -GH 132 117A 0 14,-1.5 14,-3.0 -2,-0.4 2,-0.4 -0.898 41.1 -87.4-138.9 166.8 -6.7 18.1 2.9 104 108 A M E - H 0 116A 0 27,-2.0 12,-0.3 -2,-0.3 27,-0.2 -0.629 32.0-141.8 -79.6 127.9 -4.0 20.2 4.4 105 109 A A + 0 0 5 10,-1.8 8,-0.5 -2,-0.4 2,-0.3 -0.520 34.9 164.3 -73.7 155.3 -1.1 18.6 6.1 106 110 A N - 0 0 44 -2,-0.2 6,-0.1 6,-0.1 3,-0.1 -0.924 50.2-116.1-159.3-178.1 0.0 20.5 9.2 107 111 A A S S- 0 0 91 1,-0.5 2,-0.2 -2,-0.3 5,-0.1 -0.149 83.6 -61.7-120.5 34.4 2.0 20.4 12.5 108 112 A G S > S+ 0 0 35 21,-0.2 3,-0.9 3,-0.0 -1,-0.5 -0.704 98.8 2.0 115.5-170.0 -1.0 20.8 14.7 109 113 A K T 3 S- 0 0 175 1,-0.2 -2,-0.1 -2,-0.2 21,-0.0 -0.200 127.6 -3.5 -53.9 132.6 -3.7 23.5 15.3 110 114 A D T 3 S+ 0 0 68 1,-0.1 -1,-0.2 -4,-0.0 -24,-0.0 0.847 93.2 120.4 54.5 45.1 -3.5 26.5 12.9 111 115 A T < + 0 0 36 -3,-0.9 2,-0.2 -25,-0.1 -4,-0.2 -0.137 28.1 147.9-130.2 38.8 -0.3 25.5 11.1 112 116 A N B +J 87 0C 0 -25,-1.9 -25,-2.2 1,-0.1 -31,-0.2 -0.556 8.0 147.9 -70.6 136.5 -1.4 25.3 7.5 113 117 A G - 0 0 3 -8,-0.5 -31,-0.2 2,-0.3 -1,-0.1 0.218 70.0 -53.7-128.3 -99.3 1.3 26.3 5.0 114 118 A S S S+ 0 0 1 -36,-0.3 2,-0.2 -33,-0.1 -35,-0.1 0.387 94.6 110.9-129.8 -2.5 1.5 24.7 1.6 115 119 A Q + 0 0 20 -10,-0.2 -10,-1.8 -37,-0.2 2,-0.3 -0.569 41.5 179.8 -87.3 143.2 1.6 20.9 2.3 116 120 A F E -FH 68 104A 0 -48,-2.2 -48,-1.7 -12,-0.3 2,-0.5 -0.941 24.0-132.4-139.4 154.4 -1.3 18.7 1.4 117 121 A F E -FH 67 103A 10 -14,-3.0 -14,-1.5 -2,-0.3 2,-0.7 -0.929 6.1-162.3-101.8 132.6 -2.4 15.0 1.6 118 122 A I E -FH 66 102A 1 -52,-3.0 -52,-2.0 -2,-0.5 -16,-0.2 -0.959 28.9-142.3-104.5 107.0 -3.9 13.3 -1.4 119 123 A T E -F 65 0A 0 -18,-2.4 -19,-2.4 -2,-0.7 -54,-0.3 -0.396 20.7-167.9 -74.2 148.7 -5.6 10.4 0.4 120 124 A T S S+ 0 0 1 -56,-2.6 2,-0.3 -21,-0.2 -55,-0.2 0.384 77.0 24.7-116.8 -1.6 -5.5 6.9 -1.3 121 125 A V S S- 0 0 39 -57,-0.9 2,-0.4 -23,-0.2 -20,-0.2 -0.880 107.0 -72.4-142.8 171.0 -8.1 5.3 1.1 122 126 A K - 0 0 127 -2,-0.3 2,-0.3 -25,-0.1 3,-0.2 -0.605 48.0-168.0 -66.6 126.3 -10.9 6.8 3.3 123 127 A T > + 0 0 0 -2,-0.4 3,-2.1 -25,-0.3 4,-0.3 -0.523 23.2 158.5-121.8 65.6 -9.0 8.5 6.1 124 128 A A G > + 0 0 48 -2,-0.3 3,-1.6 1,-0.3 -1,-0.1 0.756 68.1 72.7 -61.1 -25.9 -11.7 9.4 8.8 125 129 A W G 3 S+ 0 0 151 1,-0.3 -1,-0.3 -3,-0.2 -2,-0.0 0.622 93.2 56.5 -65.9 -12.0 -8.9 9.6 11.5 126 130 A L G X> S+ 0 0 12 -3,-2.1 3,-2.0 -30,-0.1 4,-1.6 0.597 80.4 118.4 -89.5 -15.0 -7.9 12.9 9.9 127 131 A D T <4 S+ 0 0 45 -3,-1.6 -32,-0.1 -4,-0.3 4,-0.1 -0.271 80.4 13.5 -56.6 133.9 -11.3 14.5 10.2 128 132 A G T 34 S+ 0 0 45 2,-0.4 -1,-0.3 -34,-0.3 3,-0.1 0.321 123.3 63.9 83.7 -6.8 -11.4 17.6 12.4 129 133 A K T <4 S+ 0 0 143 -3,-2.0 2,-0.4 1,-0.3 -2,-0.2 0.618 99.8 46.1-115.5 -28.6 -7.6 17.9 12.4 130 134 A H S < S- 0 0 21 -4,-1.6 2,-0.6 -38,-0.1 -2,-0.4 -0.984 84.1-121.5-124.7 128.7 -6.9 18.6 8.7 131 135 A V - 0 0 0 -2,-0.4 -27,-2.0 -27,-0.2 2,-0.4 -0.593 25.0-146.8 -74.0 115.9 -8.9 21.1 6.6 132 136 A V E + G 0 103A 2 -2,-0.6 -38,-0.3 -38,-0.5 -29,-0.3 -0.693 32.6 155.2 -84.2 131.6 -10.5 19.2 3.6 133 137 A F E - 0 0 0 -31,-2.4 -104,-2.5 -2,-0.4 2,-0.3 0.426 53.9 -0.8-141.9 -2.5 -10.7 21.4 0.5 134 138 A G E -CG 28 102A 0 -32,-1.4 -32,-3.0 -106,-0.3 2,-0.3 -0.967 51.2-137.4-169.1-177.4 -10.7 19.3 -2.6 135 139 A K E -CG 27 101A 34 -108,-2.1 -108,-3.0 -2,-0.3 -34,-0.2 -0.985 33.4 -94.0-154.8 153.7 -10.7 15.9 -4.3 136 140 A V E +C 26 0A 9 -36,-2.8 -110,-0.3 -2,-0.3 3,-0.1 -0.513 37.0 171.6 -62.0 129.7 -9.2 14.1 -7.2 137 141 A L E + 0 0 53 -112,-3.2 2,-0.3 1,-0.4 -111,-0.2 0.673 67.1 15.1-105.0 -36.3 -11.5 14.2 -10.2 138 142 A E E S+C 25 0A 102 -113,-2.0 -113,-2.8 1,-0.1 -1,-0.4 -0.991 111.3 35.5-143.1 145.5 -9.2 12.7 -12.9 139 143 A G >> + 0 0 11 -2,-0.3 4,-1.6 -115,-0.2 3,-1.2 0.758 53.5 148.6 83.9 26.9 -5.9 10.8 -12.9 140 144 A M H 3> S+ 0 0 45 1,-0.3 4,-2.5 2,-0.2 5,-0.2 0.832 72.9 63.9 -58.8 -29.2 -6.3 8.7 -9.8 141 145 A E H 3> S+ 0 0 127 2,-0.2 4,-1.6 1,-0.2 -1,-0.3 0.804 99.8 51.7 -65.5 -27.5 -4.2 6.1 -11.6 142 146 A V H <> S+ 0 0 1 -3,-1.2 4,-2.2 -119,-0.2 -1,-0.2 0.914 108.1 51.0 -71.7 -44.7 -1.3 8.7 -11.5 143 147 A V H X S+ 0 0 0 -4,-1.6 4,-2.8 1,-0.2 -2,-0.2 0.920 109.9 51.3 -53.3 -45.6 -1.9 9.1 -7.7 144 148 A R H X S+ 0 0 96 -4,-2.5 4,-1.4 2,-0.2 -1,-0.2 0.858 106.1 53.9 -62.5 -38.8 -1.7 5.2 -7.5 145 149 A K H < S+ 0 0 103 -4,-1.6 3,-0.3 2,-0.2 4,-0.2 0.933 112.6 43.3 -61.6 -45.6 1.5 5.1 -9.4 146 150 A V H >< S+ 0 0 0 -4,-2.2 3,-2.0 1,-0.2 -2,-0.2 0.927 108.8 59.3 -63.4 -43.7 3.1 7.6 -7.0 147 151 A E H 3< S+ 0 0 6 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.784 106.7 48.0 -55.3 -31.9 1.5 5.7 -4.0 148 152 A S T 3< S+ 0 0 78 -4,-1.4 -1,-0.3 -3,-0.3 -2,-0.2 0.391 84.6 123.1 -91.4 1.9 3.4 2.5 -5.1 149 153 A T S < S- 0 0 28 -3,-2.0 2,-0.1 -4,-0.2 -87,-0.1 -0.263 70.4 -99.7 -69.1 151.4 6.8 4.1 -5.5 150 154 A K - 0 0 160 7,-0.1 8,-2.6 1,-0.0 9,-0.5 -0.457 46.1-162.4 -72.2 142.8 9.9 2.8 -3.6 151 155 A T B -K 157 0D 54 6,-0.3 2,-0.1 -2,-0.1 -1,-0.0 -0.808 15.8-126.1-128.5 162.8 10.8 4.8 -0.5 152 156 A D > - 0 0 62 4,-2.4 3,-2.4 -2,-0.3 -1,-0.1 -0.240 54.5 -76.2 -93.0-173.8 13.6 5.5 2.0 153 157 A S T 3 S+ 0 0 120 1,-0.3 -2,-0.0 2,-0.2 -1,-0.0 0.720 133.2 54.1 -63.0 -21.7 13.4 5.3 5.9 154 158 A R T 3 S- 0 0 165 2,-0.1 -1,-0.3 -96,-0.0 0, 0.0 0.258 119.9-109.8 -89.7 9.6 11.5 8.6 6.0 155 159 A D S < S+ 0 0 65 -3,-2.4 -95,-2.6 1,-0.3 -2,-0.2 0.724 73.7 145.4 61.1 25.3 8.9 7.3 3.5 156 160 A K - 0 0 48 -97,-0.2 -4,-2.4 1,-0.1 -1,-0.3 -0.782 58.7-101.4 -92.5 132.5 10.4 9.7 1.0 157 161 A P B -K 151 0D 7 0, 0.0 -6,-0.3 0, 0.0 4,-0.1 -0.218 19.0-143.1 -51.5 135.6 10.4 8.5 -2.7 158 162 A L S S+ 0 0 102 -8,-2.6 2,-0.4 2,-0.1 -7,-0.1 0.870 94.2 49.1 -65.8 -39.8 13.9 7.2 -3.8 159 163 A K S S- 0 0 143 -9,-0.5 2,-0.2 -142,-0.0 -1,-0.1 -0.882 108.0-102.0-100.2 135.7 13.2 8.8 -7.2 160 164 A D - 0 0 67 -2,-0.4 -143,-2.7 -144,-0.1 2,-0.9 -0.366 24.4-150.4 -65.3 126.3 12.0 12.4 -7.1 161 165 A V E -A 16 0A 0 -104,-0.5 -104,-2.2 -145,-0.2 2,-0.4 -0.859 29.2-169.6 -97.0 99.9 8.3 12.7 -7.7 162 166 A I E -AD 15 56A 37 -147,-2.0 -147,-1.9 -2,-0.9 2,-1.4 -0.764 33.0-134.8-104.9 136.6 8.2 16.1 -9.3 163 167 A I E -A 14 0A 0 -108,-2.8 -109,-3.2 -2,-0.4 -108,-0.3 -0.746 30.5-179.7 -81.8 90.1 5.3 18.4 -10.2 164 168 A A E - 0 0 32 -151,-1.7 2,-0.3 -2,-1.4 -1,-0.2 0.810 66.1 -1.0 -68.1 -32.6 6.7 19.2 -13.6 165 169 A D E +A 13 0A 57 -152,-1.3 -152,-3.0 -3,-0.1 2,-0.3 -0.977 68.9 168.7-151.6 157.1 3.9 21.5 -14.4 166 170 A C E +A 12 0A 8 -2,-0.3 2,-0.3 -154,-0.2 -154,-0.2 -0.977 10.0 131.8-163.6 160.9 0.7 22.7 -12.7 167 171 A G E -A 11 0A 3 -156,-1.7 -156,-2.2 -2,-0.3 2,-0.3 -0.975 45.5 -67.7 175.4-168.4 -2.0 25.3 -13.0 168 172 A K E -A 10 0A 84 -2,-0.3 2,-0.4 -158,-0.2 -158,-0.3 -0.792 20.2-157.0-112.9 153.2 -5.7 26.0 -12.9 169 173 A I E -A 9 0A 56 -160,-2.4 -160,-2.4 -2,-0.3 2,-0.1 -0.998 28.9-127.6-123.4 121.7 -8.7 25.0 -15.1 170 174 A E E -A 8 0A 132 -2,-0.4 2,-0.5 -162,-0.2 -162,-0.2 -0.351 10.6-147.5 -71.2 149.5 -11.6 27.4 -14.7 171 175 A V E - 0 0 26 -164,-0.6 -1,-0.0 1,-0.1 -2,-0.0 -0.979 5.3-165.2-119.1 113.1 -15.1 26.0 -14.0 172 176 A E E S+ 0 0 202 -2,-0.5 -1,-0.1 1,-0.3 -165,-0.0 0.914 82.6 25.9 -65.8 -44.4 -17.8 28.1 -15.6 173 177 A K E S- 0 0 169 -167,-0.0 -1,-0.3 2,-0.0 -167,-0.1 -0.951 88.4-126.5-126.1 109.9 -20.7 26.6 -13.6 174 178 A P E - 0 0 42 0, 0.0 2,-0.4 0, 0.0 -167,-0.2 -0.222 28.8-157.1 -53.5 139.9 -19.9 25.2 -10.1 175 179 A F E -A 6 0A 75 -169,-1.4 -169,-3.0 -171,-0.0 2,-0.1 -0.982 12.7-123.6-130.1 134.3 -21.1 21.6 -9.8 176 180 A A E -A 5 0A 30 -2,-0.4 2,-0.3 -171,-0.3 -171,-0.2 -0.448 26.8-162.4 -71.3 143.1 -21.9 19.5 -6.7 177 181 A I - 0 0 22 -173,-1.9 -174,-0.8 -2,-0.1 2,-0.2 -0.840 25.8 -93.2-121.6 164.1 -20.2 16.2 -6.2 178 182 A A - 0 0 39 -2,-0.3 2,-2.1 -176,-0.1 -1,-0.0 -0.501 30.8-118.4 -79.0 145.1 -21.0 13.2 -4.0 179 183 A K 0 0 118 -2,-0.2 -1,-0.1 -82,-0.0 -83,-0.0 -0.486 360.0 360.0 -80.0 68.4 -19.5 12.8 -0.5 180 184 A E 0 0 161 -2,-2.1 -82,-0.3 -81,-0.1 -83,-0.1 -0.953 360.0 360.0-157.3 360.0 -17.7 9.6 -1.3