==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE(PEPTIDYL-PROLYL CIS-TRANS) 20-DEC-93 1CLH . COMPND 2 MOLECULE: CYCLOPHILIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR R.T.CLUBB,G.WAGNER . 166 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9464.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 77 46.4 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 16.3 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 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 1.2 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 . 12 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 10 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 16 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), 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 . 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 1 0 0 0 1 0 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 . 2 1 3 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 2 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 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 1 A A 0 0 131 0, 0.0 2,-0.9 0, 0.0 3,-0.2 0.000 360.0 360.0 360.0 -64.0 11.8 -7.1 18.1 2 2 A K - 0 0 200 1,-0.2 2,-0.1 0, 0.0 0, 0.0 -0.343 360.0 -62.1 55.4 -96.1 13.8 -10.1 16.8 3 3 A G S S+ 0 0 42 -2,-0.9 -1,-0.2 1,-0.1 0, 0.0 -0.368 81.6 125.1 173.1 99.1 14.4 -8.8 13.3 4 4 A D - 0 0 96 -3,-0.2 161,-0.1 -2,-0.1 17,-0.1 -0.653 53.8-119.0-170.1 103.8 11.6 -8.2 10.8 5 5 A P - 0 0 39 0, 0.0 15,-0.8 0, 0.0 2,-0.3 -0.100 31.9-179.9 -48.6 136.8 11.0 -4.9 8.9 6 6 A H E -A 165 0A 32 159,-0.7 159,-1.4 13,-0.3 2,-1.3 -0.915 27.5-140.7-147.8 114.2 7.7 -3.1 9.5 7 7 A V E -A 164 0A 9 -2,-0.3 11,-2.8 157,-0.2 2,-0.3 -0.651 30.5-152.2 -71.5 96.7 6.6 0.1 7.9 8 8 A L E +AB 163 17A 30 155,-1.3 155,-2.3 -2,-1.3 2,-0.4 -0.615 18.6 179.8 -79.1 131.1 4.9 1.6 11.0 9 9 A L E -AB 162 16A 0 7,-1.0 7,-4.0 -2,-0.3 2,-0.6 -0.998 20.9-164.0-141.4 131.4 2.1 4.0 10.2 10 10 A T E -AB 161 15A 33 151,-1.6 150,-2.7 -2,-0.4 151,-0.8 -0.894 18.2-177.1-116.4 95.0 -0.2 6.1 12.4 11 11 A T E -A 159 0A 0 3,-1.6 148,-0.2 -2,-0.6 3,-0.2 -0.431 50.6 -87.2 -81.1 165.3 -3.2 7.3 10.4 12 12 A S S S+ 0 0 70 146,-1.4 3,-0.1 1,-0.2 147,-0.1 0.818 131.0 55.7 -39.1 -42.3 -5.9 9.6 11.9 13 13 A A S S- 0 0 33 1,-0.2 2,-0.3 122,-0.0 -1,-0.2 0.974 123.9 -63.9 -54.6 -63.1 -7.6 6.3 13.0 14 14 A G - 0 0 19 -3,-0.2 -3,-1.6 117,-0.1 2,-0.8 -0.976 58.7 -60.7-178.4 172.2 -4.6 5.0 14.9 15 15 A N E +B 10 0A 75 -5,-0.3 -5,-0.3 -2,-0.3 116,-0.2 -0.649 57.2 170.5 -77.0 108.2 -1.0 3.7 14.9 16 16 A I E -B 9 0A 4 -7,-4.0 -7,-1.0 -2,-0.8 2,-0.2 -0.290 22.4-136.7-103.3-169.7 -0.8 0.6 12.7 17 17 A E E -B 8 0A 35 -9,-0.3 112,-1.7 -2,-0.1 113,-0.4 -0.710 8.5-163.8-161.9 102.5 2.2 -1.4 11.4 18 18 A L E -C 128 0B 1 -11,-2.8 2,-0.4 -2,-0.2 110,-0.3 -0.420 12.2-149.6 -73.4 160.7 2.9 -2.9 7.9 19 19 A E E -C 127 0B 27 108,-0.9 108,-0.8 -13,-0.3 69,-0.4 -0.993 15.3-163.3-138.4 127.5 5.6 -5.5 7.5 20 20 A L E -C 126 0B 7 -15,-0.8 106,-0.3 -2,-0.4 69,-0.0 -0.876 15.6-133.7-122.0 143.6 7.6 -5.7 4.2 21 21 A D + 0 0 43 104,-3.4 -1,-0.2 -2,-0.3 104,-0.1 0.760 20.5 175.0 -55.5-126.3 9.8 -8.3 2.5 22 22 A K > + 0 0 127 104,-0.0 3,-1.0 -17,-0.0 7,-0.2 -0.381 67.4 67.9 145.6 -59.4 13.1 -7.1 1.0 23 23 A Q T 3 S+ 0 0 177 1,-0.3 -2,-0.0 2,-0.2 6,-0.0 0.941 100.4 48.2 -55.1 -57.1 14.8 -10.3 -0.2 24 24 A K T 3 S+ 0 0 100 1,-0.3 -1,-0.3 2,-0.1 57,-0.1 0.497 128.3 24.5 -69.1 -5.0 12.3 -11.1 -3.0 25 25 A A <> + 0 0 4 -3,-1.0 4,-1.9 100,-0.1 -1,-0.3 -0.368 63.1 161.4-161.2 70.6 12.5 -7.4 -4.3 26 26 A P H > S+ 0 0 82 0, 0.0 4,-1.9 0, 0.0 -2,-0.1 0.926 78.2 54.2 -52.7 -54.2 15.7 -5.6 -3.4 27 27 A V H > S+ 0 0 75 1,-0.2 4,-1.7 2,-0.2 3,-0.5 0.943 108.4 45.9 -48.1 -65.8 15.2 -2.9 -6.0 28 28 A S H > S+ 0 0 6 1,-0.2 4,-2.1 2,-0.2 5,-0.3 0.889 108.3 56.9 -47.2 -52.8 11.7 -1.8 -5.0 29 29 A V H X S+ 0 0 21 -4,-1.9 4,-2.9 1,-0.2 -1,-0.2 0.890 104.9 52.2 -47.4 -50.2 12.6 -1.7 -1.3 30 30 A Q H X S+ 0 0 115 -4,-1.9 4,-2.0 -3,-0.5 -1,-0.2 0.929 109.8 50.4 -51.2 -52.5 15.4 0.8 -2.1 31 31 A N H >X S+ 0 0 37 -4,-1.7 4,-1.3 2,-0.2 3,-0.7 0.958 114.0 40.5 -50.0 -66.0 13.0 3.0 -4.0 32 32 A F H 3X S+ 0 0 35 -4,-2.1 4,-4.5 1,-0.3 5,-0.2 0.900 109.8 58.8 -57.1 -46.2 10.3 3.2 -1.4 33 33 A V H 3X S+ 0 0 38 -4,-2.9 4,-4.9 -5,-0.3 -1,-0.3 0.870 100.0 60.2 -49.3 -40.2 12.8 3.6 1.5 34 34 A D H << S+ 0 0 77 -4,-2.0 4,-0.5 -3,-0.7 -1,-0.2 0.969 115.6 32.1 -45.8 -61.5 14.0 6.7 -0.4 35 35 A Y H >< S+ 0 0 52 -4,-1.3 3,-3.2 1,-0.2 -2,-0.2 0.978 118.6 54.6 -58.3 -60.1 10.5 8.0 0.1 36 36 A V H 3< S+ 0 0 10 -4,-4.5 -2,-0.2 1,-0.3 -3,-0.2 0.872 93.6 70.6 -39.3 -52.5 10.0 6.3 3.4 37 37 A N T 3< S- 0 0 92 -4,-4.9 -1,-0.3 -5,-0.2 2,-0.2 0.749 122.3 -60.5 -38.8 -33.6 13.2 8.0 4.6 38 38 A S S < S+ 0 0 77 -3,-3.2 -1,-0.2 -4,-0.5 0, 0.0 -0.766 101.1 66.0 158.0 160.5 11.2 11.2 4.6 39 39 A G S S+ 0 0 57 -2,-0.2 -1,-0.2 -3,-0.1 -2,-0.1 0.996 94.4 48.9 69.0 79.4 9.1 13.7 2.6 40 40 A F S > S+ 0 0 23 -4,-0.1 3,-0.8 -3,-0.1 19,-0.1 -0.375 102.5 43.4 168.8 -75.3 6.0 11.9 1.5 41 41 A Y G > S+ 0 0 17 1,-0.2 3,-1.7 -6,-0.2 118,-0.1 0.777 85.7 93.0 -66.7 -31.7 4.0 9.9 4.1 42 42 A N G 3 S+ 0 0 84 1,-0.3 -1,-0.2 120,-0.1 0, 0.0 0.717 112.8 0.9 -38.7 -36.2 4.3 12.6 6.8 43 43 A N G < S+ 0 0 75 -3,-0.8 -1,-0.3 2,-0.0 -2,-0.2 -0.120 102.3 106.8-156.5 47.3 0.9 14.0 5.7 44 44 A T < - 0 0 0 -3,-1.7 115,-1.2 17,-0.2 2,-0.2 0.239 52.6-155.0 -83.6-140.6 -0.5 11.9 2.8 45 45 A T - 0 0 3 113,-0.2 13,-0.8 14,-0.1 2,-0.3 -0.742 26.5 -77.1-163.1-141.1 -3.4 9.7 3.6 46 46 A F - 0 0 6 -2,-0.2 111,-0.3 111,-0.2 15,-0.0 -0.776 31.8-145.5-146.1 92.3 -5.2 6.5 2.4 47 47 A H - 0 0 13 -2,-0.3 2,-0.2 105,-0.1 110,-0.2 0.763 59.5 -84.9 -23.3 -67.6 -7.3 7.2 -0.7 48 48 A R - 0 0 5 104,-0.2 8,-1.7 -3,-0.1 2,-0.3 -0.842 41.4-108.3-172.3-142.9 -9.8 4.6 0.5 49 49 A V E -D 55 0C 6 -2,-0.2 6,-0.2 6,-0.2 3,-0.1 -0.861 20.7-113.2-172.1 135.2 -10.7 0.9 0.6 50 50 A I E >> -D 54 0C 58 4,-1.6 4,-1.8 -2,-0.3 3,-1.1 -0.588 63.7 -90.6 -62.5 129.7 -13.0 -1.7 -0.8 51 51 A P T 34 S- 0 0 91 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 0.033 94.3 -16.5 -45.2 153.0 -14.9 -2.9 2.3 52 52 A G T 34 S+ 0 0 65 87,-0.4 55,-0.1 1,-0.2 54,-0.0 0.580 130.6 70.3 7.3 60.2 -13.6 -5.8 4.4 53 53 A F T <4 S- 0 0 66 -3,-1.1 55,-1.7 55,-0.1 54,-1.4 0.351 102.4 -9.5-152.7 -54.6 -11.3 -6.7 1.5 54 54 A M E < -DE 50 106C 53 -4,-1.8 -4,-1.6 52,-0.3 52,-0.3 -0.759 42.5-162.6-171.9 113.7 -8.4 -4.3 0.8 55 55 A I E -D 49 0C 3 50,-2.7 -6,-0.2 -6,-0.2 50,-0.2 -0.667 24.9-163.8 -90.9 155.5 -7.3 -0.8 1.9 56 56 A Q + 0 0 49 -8,-1.7 49,-5.8 48,-0.3 -1,-0.2 0.773 12.3 179.5 -68.6-121.9 -4.7 0.9 -0.2 57 57 A G + 0 0 0 47,-0.5 46,-1.4 46,-0.2 -11,-0.2 0.203 26.4 53.3-152.7-120.0 -2.8 3.2 0.0 58 58 A G S S+ 0 0 1 -13,-0.8 45,-0.3 44,-0.2 2,-0.2 0.890 70.5 88.1 61.3 106.9 -0.3 6.0 -0.0 59 59 A G + 0 0 5 1,-0.2 -14,-0.1 43,-0.1 5,-0.1 -0.683 60.1 52.5-179.4-122.8 -0.8 8.4 -3.0 60 60 A F S S- 0 0 14 -2,-0.2 2,-0.3 1,-0.1 -1,-0.2 -0.185 85.0-115.9 -45.6 113.8 -2.9 11.5 -3.6 61 61 A T > - 0 0 30 4,-0.8 3,-1.1 -17,-0.1 2,-0.3 -0.397 69.2 -44.8 -59.5 116.8 -2.0 13.8 -0.8 62 62 A E T 3 S+ 0 0 77 -2,-0.3 95,-0.1 1,-0.3 -16,-0.1 -0.445 142.2 23.3 65.0-118.9 -5.2 14.3 1.3 63 63 A Q T 3 S- 0 0 127 -2,-0.3 -1,-0.3 1,-0.1 -3,-0.1 0.909 126.4 -87.6 -41.7 -58.2 -8.1 15.0 -1.0 64 64 A M S < S+ 0 0 25 -3,-1.1 2,-0.2 1,-0.1 -1,-0.1 0.220 71.9 140.9 138.6 94.6 -6.2 13.2 -3.8 65 65 A Q - 0 0 133 -6,-0.1 -4,-0.8 -4,-0.0 -1,-0.1 -0.791 57.4 -98.7-159.2 105.8 -3.8 15.1 -6.1 66 66 A Q - 0 0 93 -2,-0.2 -6,-0.1 -6,-0.2 -2,-0.0 0.201 22.1-147.6 -29.3 133.4 -0.6 13.5 -7.3 67 67 A K - 0 0 85 -8,-0.0 -7,-0.0 1,-0.0 -27,-0.0 0.913 58.3 -79.0 -57.4 -97.7 2.5 14.4 -5.3 68 68 A K S S+ 0 0 178 0, 0.0 -2,-0.0 0, 0.0 -1,-0.0 -0.187 71.9 162.9-167.8 66.9 5.0 14.2 -8.2 69 69 A P + 0 0 32 0, 0.0 33,-0.0 0, 0.0 -10,-0.0 0.330 21.7 114.9 -69.2-160.9 5.8 10.5 -8.7 70 70 A N + 0 0 110 1,-0.1 29,-0.0 31,-0.0 31,-0.0 0.768 18.7 144.9 102.4 38.0 7.3 8.6 -11.6 71 71 A P - 0 0 45 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.722 48.3-145.3 -95.3 80.2 10.8 7.0 -10.6 72 72 A P + 0 0 88 0, 0.0 27,-0.1 0, 0.0 26,-0.1 -0.316 28.4 171.0 -67.0 110.6 10.1 4.0 -12.8 73 73 A I - 0 0 25 25,-1.2 2,-0.2 -2,-0.4 26,-0.1 0.626 27.6-116.8 -79.3-123.6 11.6 0.8 -11.2 74 74 A K + 0 0 41 1,-0.4 24,-0.5 24,-0.2 -1,-0.2 -0.682 60.4 14.4-156.7-151.7 10.7 -2.6 -12.8 75 75 A N + 0 0 73 -2,-0.2 -1,-0.4 22,-0.1 -47,-0.2 0.076 55.6 160.9 -39.7 145.4 9.0 -6.0 -12.3 76 76 A E + 0 0 10 -3,-0.1 3,-0.4 47,-0.0 -1,-0.1 0.435 58.7 44.2-131.3 -92.7 6.7 -6.2 -9.3 77 77 A A S S+ 0 0 16 44,-0.4 2,-1.9 1,-0.3 38,-0.1 0.735 97.6 78.6 -38.1 -37.1 4.0 -8.8 -8.8 78 78 A D S S+ 0 0 55 1,-0.2 -1,-0.3 2,-0.1 2,-0.1 0.027 94.7 52.0 -68.8 33.9 6.4 -11.5 -9.9 79 79 A N S S+ 0 0 7 -2,-1.9 45,-0.3 -3,-0.4 -1,-0.2 -0.462 77.3 82.7-172.7 82.9 8.0 -11.4 -6.5 80 80 A G - 0 0 11 43,-0.1 -2,-0.1 -3,-0.1 45,-0.1 0.310 65.8-152.6-169.0 0.3 5.7 -11.7 -3.4 81 81 A L - 0 0 90 -4,-0.1 -2,-0.1 -57,-0.1 33,-0.0 0.461 43.2 -37.8 31.1 172.8 5.1 -15.5 -2.9 82 82 A R S S+ 0 0 187 1,-0.1 2,-0.3 32,-0.0 0, 0.0 -0.058 74.6 117.1 -60.0 158.1 1.9 -16.9 -1.3 83 83 A N - 0 0 71 4,-0.0 2,-0.3 44,-0.0 -1,-0.1 -0.923 40.5-116.2 175.2-146.7 0.0 -15.4 1.7 84 84 A T > - 0 0 40 -2,-0.3 3,-1.4 25,-0.1 25,-0.2 -0.985 57.5 -30.6-170.3 163.0 -3.3 -13.9 2.8 85 85 A R T 3 S+ 0 0 128 -2,-0.3 24,-0.2 1,-0.3 22,-0.1 -0.002 119.1 61.6 -34.1 100.4 -5.3 -10.9 4.1 86 86 A G T 3 S+ 0 0 12 1,-0.4 -1,-0.3 22,-0.2 2,-0.2 -0.003 80.6 104.0 156.6 -29.9 -2.4 -9.4 6.0 87 87 A T < - 0 0 13 -3,-1.4 19,-1.7 40,-0.3 40,-0.5 -0.555 57.8-143.4 -81.7 144.7 0.0 -8.7 3.1 88 88 A I E -F 105 0D 0 -69,-0.4 37,-1.8 -2,-0.2 38,-1.8 -0.658 21.7-177.8 -95.1 159.8 0.8 -5.4 1.5 89 89 A A E -F 104 0D 1 15,-1.5 15,-1.7 35,-0.3 35,-0.3 -0.970 26.8-106.9-161.6 144.3 1.4 -5.1 -2.3 90 90 A M E -F 103 0D 13 -2,-0.3 33,-3.5 13,-0.2 13,-0.2 -0.451 24.5-139.2 -75.5 144.1 2.4 -2.4 -4.9 91 91 A A - 0 0 11 11,-1.5 32,-1.3 31,-0.2 2,-0.2 0.774 25.6-151.5 -65.7-118.2 -0.2 -1.1 -7.4 92 92 A R - 0 0 117 30,-0.1 7,-0.3 -16,-0.1 8,-0.3 -0.806 4.8-111.5 179.5-132.8 1.2 -0.6 -10.9 93 93 A T - 0 0 47 -2,-0.2 5,-0.0 1,-0.2 0, 0.0 -0.827 31.7 -95.3 171.5 152.2 0.6 1.6 -14.0 94 94 A A S S+ 0 0 108 -2,-0.2 -1,-0.2 1,-0.2 3,-0.1 0.904 118.9 52.9 -41.3 -61.7 -0.7 1.5 -17.6 95 95 A D S S- 0 0 126 1,-0.1 2,-0.2 -3,-0.1 -1,-0.2 0.916 100.7-134.6 -40.0 -71.7 2.8 1.1 -19.0 96 96 A K S S+ 0 0 151 -22,-0.0 2,-0.8 25,-0.0 3,-0.2 -0.750 80.9 65.4 149.1 -94.6 3.9 -1.9 -17.0 97 97 A D S S+ 0 0 98 -2,-0.2 -22,-0.1 1,-0.1 2,-0.1 -0.512 87.1 74.7 -62.6 104.9 7.3 -1.6 -15.5 98 98 A S + 0 0 9 -2,-0.8 -25,-1.2 -24,-0.5 -24,-0.2 -0.323 29.0 157.9-169.5-102.2 6.9 1.4 -13.1 99 99 A A + 0 0 5 -7,-0.3 3,-0.2 -3,-0.2 -25,-0.2 0.972 25.9 177.9 43.8 76.4 5.1 1.4 -9.7 100 100 A T - 0 0 17 -8,-0.3 2,-0.1 1,-0.2 -1,-0.1 0.887 63.6 -17.4 -78.3 -43.5 7.0 4.5 -8.7 101 101 A S S S+ 0 0 11 -43,-0.1 -1,-0.2 1,-0.1 2,-0.2 -0.571 97.5 93.4-170.8 98.3 5.5 5.1 -5.2 102 102 A Q + 0 0 75 -3,-0.2 -11,-1.5 -2,-0.1 2,-0.2 -0.559 32.1 170.6 169.5 123.8 2.2 3.6 -4.1 103 103 A F E -F 90 0D 13 -46,-1.4 2,-0.3 -45,-0.3 -13,-0.2 -0.802 15.8-145.3-135.1 175.2 1.1 0.5 -2.2 104 104 A F E -F 89 0D 16 -15,-1.7 -15,-1.5 -2,-0.2 2,-0.6 -0.993 12.8-129.5-154.2 136.4 -2.1 -0.9 -0.7 105 105 A I E -F 88 0D 4 -49,-5.8 -50,-2.7 -2,-0.3 -17,-0.2 -0.797 23.5-162.6 -95.5 115.1 -3.0 -3.0 2.4 106 106 A N B +E 54 0C 5 -19,-1.7 -52,-0.3 -2,-0.6 -51,-0.1 -0.017 15.0 177.6 -74.1-172.6 -5.2 -6.1 1.8 107 107 A V + 0 0 17 -54,-1.4 2,-0.2 1,-0.4 -53,-0.2 0.272 55.0 70.8-157.8 -44.6 -7.1 -8.0 4.5 108 108 A A S S- 0 0 28 -55,-1.7 -1,-0.4 1,-0.1 2,-0.3 -0.556 98.0 -79.6 -91.9 152.4 -9.2 -10.8 3.0 109 109 A D + 0 0 93 -2,-0.2 -1,-0.1 -25,-0.2 -25,-0.1 -0.293 64.7 159.2 -49.6 106.8 -7.9 -14.1 1.4 110 110 A N + 0 0 19 -2,-0.3 2,-1.7 1,-0.1 -1,-0.1 0.734 21.8 134.6 -99.3-100.6 -6.8 -12.9 -2.0 111 111 A A > + 0 0 45 1,-0.1 3,-3.6 2,-0.0 -1,-0.1 -0.157 55.2 99.2 75.3 -43.9 -4.3 -15.0 -4.0 112 112 A F T 3 S+ 0 0 157 -2,-1.7 -1,-0.1 1,-0.3 4,-0.1 0.848 79.1 53.4 -39.3 -50.7 -6.5 -14.5 -7.1 113 113 A L T 3 S+ 0 0 52 2,-0.1 -1,-0.3 10,-0.0 8,-0.3 0.717 77.6 133.0 -58.4 -24.3 -4.2 -11.7 -8.3 114 114 A D S < S- 0 0 90 -3,-3.6 -36,-0.1 1,-0.2 9,-0.1 -0.046 73.1-110.7 -39.2 101.6 -1.3 -14.1 -8.0 115 115 A H S S+ 0 0 94 7,-0.3 -1,-0.2 -38,-0.1 5,-0.1 -0.131 79.8 116.3 -38.7 105.4 0.5 -13.6 -11.3 116 116 A G + 0 0 44 -3,-0.2 2,-0.3 3,-0.1 -1,-0.1 -0.156 62.2 33.6-179.5 66.2 -0.3 -16.9 -13.1 117 117 A Q S S- 0 0 155 2,-0.5 2,-3.7 0, 0.0 -1,-0.1 -0.927 110.6 -38.2 163.5 178.2 -2.4 -16.3 -16.2 118 118 A R S S+ 0 0 250 -2,-0.3 2,-0.3 -3,-0.1 -3,-0.0 -0.345 115.4 67.7 -62.7 69.1 -3.2 -14.0 -19.1 119 119 A D + 0 0 79 -2,-3.7 -2,-0.5 -6,-0.0 2,-0.2 -0.953 47.6 172.8 179.0 164.1 -2.7 -11.1 -16.6 120 120 A F + 0 0 97 -2,-0.3 3,-0.1 -5,-0.1 -6,-0.1 -0.597 31.7 112.4 170.8 119.0 -0.3 -9.2 -14.4 121 121 A G + 0 0 23 1,-0.3 2,-0.4 -8,-0.3 -44,-0.4 0.213 49.2 73.9-156.2 -77.2 -0.8 -6.0 -12.4 122 122 A Y - 0 0 103 -46,-0.1 -1,-0.3 -9,-0.1 -7,-0.3 -0.494 59.7-155.4 -77.2 120.5 -0.8 -5.8 -8.6 123 123 A A - 0 0 2 -33,-3.5 2,-0.2 -32,-1.3 -1,-0.1 0.265 7.1-160.7 -70.6-161.3 2.6 -6.1 -6.9 124 124 A V + 0 0 33 -35,-0.3 -35,-0.3 -45,-0.3 -45,-0.1 -0.796 30.7 145.5 177.6 141.5 3.3 -7.3 -3.3 125 125 A F + 0 0 5 -37,-1.8 -104,-3.4 -2,-0.2 -36,-0.2 0.273 64.0 32.0-174.3 25.9 6.1 -7.1 -0.7 126 126 A G E -C 20 0B 2 -38,-1.8 -106,-0.3 -106,-0.3 2,-0.2 -0.643 48.4-157.0-156.5-149.2 4.6 -6.9 2.8 127 127 A K E -C 19 0B 73 -108,-0.8 -108,-0.9 -40,-0.5 -40,-0.3 -0.856 30.9 -89.5-179.4-155.0 1.9 -7.7 5.3 128 128 A V E +C 18 0B 22 -110,-0.3 -110,-0.2 -2,-0.2 4,-0.1 -0.878 27.3 175.7-160.0 117.2 0.4 -6.5 8.6 129 129 A V - 0 0 84 -112,-1.7 3,-0.2 -2,-0.3 -1,-0.1 0.961 68.3 -7.6 -84.5 -75.3 1.3 -7.4 12.2 130 130 A K S S+ 0 0 147 -113,-0.4 2,-5.1 1,-0.1 3,-0.5 0.882 113.6 51.9 -96.2 -94.7 -0.7 -5.5 14.7 131 131 A G > + 0 0 7 1,-0.2 4,-1.6 -116,-0.2 -1,-0.1 -0.066 59.9 130.7 -60.6 51.8 -3.1 -2.6 14.1 132 132 A M H > S+ 0 0 40 -2,-5.1 4,-2.7 2,-0.2 -1,-0.2 0.940 72.9 58.1 -60.7 -48.7 -5.2 -4.5 11.5 133 133 A D H > S+ 0 0 110 -3,-0.5 4,-2.9 2,-0.2 5,-0.3 0.925 100.5 55.6 -43.6 -58.0 -8.2 -3.4 13.5 134 134 A V H > S+ 0 0 20 1,-0.3 4,-3.2 2,-0.2 -1,-0.2 0.917 108.0 48.3 -39.6 -59.1 -7.2 0.2 13.0 135 135 A A H X S+ 0 0 3 -4,-1.6 4,-3.8 2,-0.2 -1,-0.3 0.921 113.5 49.2 -46.1 -52.2 -7.2 -0.4 9.2 136 136 A D H < S+ 0 0 58 -4,-2.7 4,-0.4 2,-0.2 -2,-0.2 0.977 109.3 48.3 -50.8 -69.3 -10.6 -2.0 9.7 137 137 A K H >X S+ 0 0 100 -4,-2.9 4,-1.6 1,-0.3 3,-1.5 0.856 114.1 49.2 -41.3 -45.9 -12.1 0.8 11.7 138 138 A I H 3< S+ 0 0 5 -4,-3.2 3,-0.5 -5,-0.3 -1,-0.3 0.980 110.7 48.8 -53.8 -59.2 -10.7 3.1 9.0 139 139 A S T 3< S+ 0 0 14 -4,-3.8 -87,-0.4 1,-0.2 -1,-0.3 0.321 106.4 63.6 -64.6 9.3 -12.3 0.8 6.4 140 140 A Q T <4 S+ 0 0 118 -3,-1.5 -1,-0.2 -4,-0.4 -2,-0.2 0.845 76.6 91.4 -96.1 -52.7 -15.5 1.1 8.5 141 141 A V S < S- 0 0 68 -4,-1.6 0, 0.0 -3,-0.5 0, 0.0 -0.229 86.7-109.0 -49.6 123.7 -16.2 4.8 8.1 142 142 A P + 0 0 113 0, 0.0 13,-0.2 0, 0.0 2,-0.2 0.312 44.4 165.9 -41.3 178.4 -18.5 5.3 5.1 143 143 A T - 0 0 55 10,-0.2 2,-0.2 11,-0.1 -95,-0.0 -0.669 22.7-115.9-161.3-142.2 -17.4 6.9 1.9 144 144 A H B -G 152 0E 87 8,-1.0 8,-0.9 -2,-0.2 2,-0.4 -0.808 29.5 -95.8 179.3 145.4 -18.5 7.4 -1.7 145 145 A D - 0 0 91 -2,-0.2 5,-0.2 6,-0.2 4,-0.0 -0.571 40.1-162.6 -63.4 121.7 -17.6 6.6 -5.3 146 146 A V - 0 0 59 3,-1.1 4,-0.2 -2,-0.4 -1,-0.2 0.987 36.4 -99.3 -78.1 -65.1 -15.7 9.8 -6.3 147 147 A G S S+ 0 0 50 2,-0.3 3,-0.1 4,-0.0 -1,-0.1 -0.354 105.3 19.3 178.6 -81.8 -15.7 9.7 -10.0 148 148 A P S S+ 0 0 107 0, 0.0 2,-1.0 0, 0.0 -3,-0.0 0.992 126.8 48.3 -66.4 -73.5 -12.4 8.4 -11.5 149 149 A Y S S- 0 0 111 -4,-0.0 -3,-1.1 1,-0.0 -2,-0.3 -0.639 84.1-149.0 -77.0 102.7 -11.2 6.6 -8.4 150 150 A Q S S+ 0 0 134 -2,-1.0 -5,-0.2 -5,-0.2 -102,-0.1 -0.522 71.4 38.3 -67.7 135.6 -14.1 4.5 -7.0 151 151 A N + 0 0 62 -2,-0.2 -6,-0.2 1,-0.2 -101,-0.1 0.866 66.6 155.6 83.0 96.5 -14.0 4.1 -3.2 152 152 A V B -G 144 0E 10 -8,-0.9 -8,-1.0 -104,-0.1 2,-0.7 -0.930 48.2-112.3-154.1 127.0 -12.9 7.3 -1.3 153 153 A P - 0 0 3 0, 0.0 -10,-0.2 0, 0.0 4,-0.1 -0.449 22.1-154.4 -61.4 102.7 -13.6 8.2 2.2 154 154 A S S S+ 0 0 50 -2,-0.7 -11,-0.1 1,-0.3 -10,-0.0 0.929 98.0 49.4 -42.3 -58.6 -15.9 11.3 1.8 155 155 A K S S- 0 0 193 -13,-0.2 -1,-0.3 -3,-0.1 -14,-0.0 -0.718 110.4-135.8 -82.3 88.5 -14.7 12.3 5.3 156 156 A P - 0 0 73 0, 0.0 -2,-0.1 0, 0.0 -93,-0.1 -0.115 5.5-126.8 -61.6 141.4 -11.1 11.8 4.3 157 157 A V - 0 0 9 -111,-0.3 2,-0.3 -110,-0.2 -111,-0.2 -0.332 18.8-155.4 -69.5 161.6 -8.4 10.1 6.4 158 158 A V - 0 0 50 -113,-0.1 -146,-1.4 -2,-0.1 -113,-0.2 -0.918 14.0-129.3-147.4 119.0 -5.0 11.9 7.1 159 159 A I E -A 11 0A 2 -115,-1.2 -148,-0.3 -2,-0.3 3,-0.1 -0.353 13.6-166.8 -69.3 143.5 -1.8 10.0 8.0 160 160 A L E - 0 0 101 -150,-2.7 2,-0.3 1,-0.3 -149,-0.2 0.828 61.0 -26.8 -95.4 -45.1 0.2 11.0 11.0 161 161 A S E -A 10 0A 36 -151,-0.8 -151,-1.6 2,-0.0 -1,-0.3 -0.990 36.7-146.7-169.1 165.8 3.5 9.2 10.4 162 162 A A E +A 9 0A 5 -2,-0.3 2,-0.5 -153,-0.2 -153,-0.2 -0.883 23.5 169.9-149.9 109.3 5.5 6.4 8.8 163 163 A K E -A 8 0A 129 -155,-2.3 -155,-1.3 -2,-0.3 2,-0.3 -0.963 22.0-145.8-131.2 111.5 8.6 5.0 10.7 164 164 A V E -A 7 0A 67 -2,-0.5 -157,-0.2 -157,-0.2 -145,-0.1 -0.579 12.7-140.6 -76.5 135.0 10.3 1.8 9.6 165 165 A L E A 6 0A 91 -159,-1.4 -159,-0.7 -2,-0.3 -161,-0.1 -0.825 360.0 360.0 -97.4 134.4 11.8 -0.4 12.3 166 166 A P 0 0 145 0, 0.0 -1,-0.1 0, 0.0 -163,-0.0 0.899 360.0 360.0 -41.4 360.0 15.2 -2.1 11.7