==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE INHIBITOR 27-OCT-05 2ET2 . COMPND 2 MOLECULE: CHYMOTRYPSIN INHIBITOR 3; . SOURCE 2 ORGANISM_SCIENTIFIC: PSOPHOCARPUS TETRAGONOLOBUS; . AUTHOR J.K.DATTAGUPTA,U.SEN,J.DASGUPTA,S.KHAMRUI . 175 1 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9751.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 109 62.3 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 . 63 36.0 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 . 0 0.0 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 . 25 14.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 13 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), 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 . 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 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 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 . 8 3 1 3 3 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 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 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 4 A D 0 0 203 0, 0.0 70,-0.1 0, 0.0 71,-0.0 0.000 360.0 360.0 360.0 30.7 55.9 5.2 17.2 2 5 A D - 0 0 89 68,-0.1 69,-1.1 69,-0.1 70,-0.4 -0.247 360.0-141.3 -54.0 134.5 52.5 6.8 16.7 3 6 A D B -A 70 0A 40 67,-0.3 -1,-0.1 68,-0.1 2,-0.0 -0.561 39.6 -79.2 -90.6 165.8 50.9 5.9 13.4 4 7 A L - 0 0 1 65,-3.0 8,-2.4 -2,-0.2 2,-0.4 -0.365 46.0-146.8 -65.0 145.8 48.9 8.7 11.6 5 8 A V B -B 11 0B 14 6,-0.3 167,-0.4 -3,-0.1 6,-0.2 -0.942 7.5-137.8-119.0 137.2 45.4 9.4 12.9 6 9 A D > - 0 0 8 4,-3.7 3,-1.7 -2,-0.4 122,-0.3 -0.110 38.5 -84.5 -82.2-176.9 42.5 10.5 10.8 7 10 A A T 3 S+ 0 0 34 165,-2.9 166,-0.1 1,-0.3 121,-0.1 0.707 127.1 50.7 -62.9 -22.5 39.8 13.1 11.5 8 11 A E T 3 S- 0 0 134 164,-0.3 -1,-0.3 2,-0.2 3,-0.1 0.250 122.2-100.3-101.5 12.5 37.7 10.6 13.4 9 12 A G S < S+ 0 0 48 -3,-1.7 2,-0.3 1,-0.3 -2,-0.1 0.481 83.8 122.0 86.2 2.6 40.5 9.4 15.7 10 13 A N S S- 0 0 104 1,-0.1 -4,-3.7 -5,-0.0 -1,-0.3 -0.698 71.1 -90.1-100.7 152.9 41.2 6.2 13.8 11 14 A L B -B 5 0B 70 -2,-0.3 -6,-0.3 -6,-0.2 2,-0.3 -0.278 43.6-110.8 -59.8 138.8 44.5 5.1 12.3 12 15 A V - 0 0 0 -8,-2.4 57,-0.8 57,-0.2 2,-0.6 -0.544 32.2-128.0 -71.1 131.0 45.1 6.1 8.7 13 16 A E B > -C 68 0C 107 -2,-0.3 3,-2.5 55,-0.2 47,-0.3 -0.745 24.5-112.2 -88.9 122.0 45.0 3.0 6.4 14 17 A A T 3 S+ 0 0 36 53,-2.3 47,-0.2 -2,-0.6 3,-0.1 -0.184 100.3 8.6 -51.1 133.7 48.0 2.7 4.1 15 18 A G T 3 S+ 0 0 28 45,-3.0 -1,-0.3 1,-0.2 46,-0.2 0.439 102.2 129.0 73.7 -1.7 47.1 3.1 0.5 16 19 A G < - 0 0 15 -3,-2.5 44,-1.4 44,-0.4 2,-0.4 -0.335 62.7-103.1 -81.8 167.1 43.6 4.2 1.5 17 20 A T E +D 59 0D 28 42,-0.2 158,-2.0 158,-0.2 2,-0.3 -0.779 41.8 170.4 -98.2 134.9 41.9 7.4 0.2 18 21 A Y E -DE 58 174D 3 40,-3.0 40,-3.3 -2,-0.4 2,-0.5 -0.960 32.6-125.9-138.9 154.6 41.6 10.5 2.3 19 22 A Y E - E 0 173D 52 154,-3.2 154,-2.5 -2,-0.3 2,-0.9 -0.870 23.6-142.3 -98.4 131.0 40.5 14.2 1.9 20 23 A L E + E 0 172D 0 -2,-0.5 11,-0.3 36,-0.4 152,-0.2 -0.844 31.6 173.8-100.3 101.0 43.2 16.6 3.1 21 24 A L E - E 0 171D 32 150,-2.2 150,-2.2 -2,-0.9 9,-0.1 -0.724 32.8-105.0-107.7 153.6 41.3 19.4 4.8 22 25 A P - 0 0 10 0, 0.0 148,-0.2 0, 0.0 -1,-0.1 -0.336 21.1-128.5 -73.6 161.1 42.6 22.4 6.7 23 26 A H S S+ 0 0 56 146,-0.4 2,-0.7 1,-0.1 147,-0.1 0.934 100.1 60.1 -70.1 -48.1 42.2 22.5 10.5 24 27 A I S > S- 0 0 71 1,-0.2 3,-2.2 145,-0.1 4,-0.2 -0.747 78.8-148.8 -86.6 114.4 40.6 25.9 10.4 25 28 A W G > S+ 0 0 228 -2,-0.7 3,-1.4 1,-0.3 -1,-0.2 0.819 94.1 64.3 -50.7 -36.5 37.4 25.7 8.3 26 29 A A G 3 S+ 0 0 74 1,-0.3 -1,-0.3 -3,-0.0 3,-0.1 0.651 85.3 74.7 -64.2 -17.9 37.8 29.3 7.2 27 30 A H G < S- 0 0 93 -3,-2.2 2,-0.3 1,-0.2 -1,-0.3 0.492 106.8-103.4 -78.0 -1.6 41.0 28.4 5.3 28 31 A G < - 0 0 4 -3,-1.4 -1,-0.2 -4,-0.2 23,-0.1 -0.813 42.1 -57.0 120.7-161.9 39.2 26.7 2.4 29 32 A G - 0 0 2 19,-2.8 25,-0.2 1,-0.3 22,-0.1 -0.049 65.8 -50.0-106.2-152.3 38.5 23.2 1.2 30 33 A G - 0 0 0 23,-1.7 18,-3.1 20,-0.3 2,-0.4 0.046 64.4 -77.9 -75.8-172.4 40.4 20.1 0.3 31 34 A I E +L 47 0E 1 23,-0.5 25,-3.3 25,-0.3 16,-0.2 -0.740 58.6 142.9 -94.7 136.2 43.3 19.5 -2.1 32 35 A E E -L 46 0E 53 14,-3.0 14,-3.0 -2,-0.4 2,-0.3 -0.692 40.4 -84.7-147.4-160.6 42.9 19.4 -5.9 33 36 A T E -L 45 0E 36 12,-0.2 2,-0.3 -2,-0.2 12,-0.2 -0.814 25.1-174.9-122.6 161.7 44.5 20.5 -9.1 34 37 A A E -L 44 0E 14 10,-1.7 10,-2.3 -2,-0.3 2,-0.6 -0.978 28.1-120.9-149.8 149.9 44.7 23.5 -11.4 35 38 A K + 0 0 124 -2,-0.3 2,-0.3 7,-0.3 -2,-0.0 -0.864 43.5 165.2 -95.7 117.9 46.4 24.1 -14.8 36 39 A T > - 0 0 11 -2,-0.6 3,-2.1 5,-0.3 7,-0.1 -0.849 43.2 -4.5-130.1 169.1 49.0 26.9 -14.6 37 40 A G T 3 S- 0 0 75 -2,-0.3 -2,-0.0 1,-0.3 0, 0.0 -0.248 126.7 -24.2 53.2-132.0 51.8 28.2 -16.7 38 41 A N T 3 S+ 0 0 172 2,-0.0 -1,-0.3 0, 0.0 -3,-0.0 0.338 95.0 141.3 -93.9 5.0 52.4 26.1 -19.8 39 42 A E < - 0 0 32 -3,-2.1 5,-0.0 1,-0.1 -4,-0.0 -0.201 48.8-146.1 -53.0 131.9 50.9 23.0 -18.3 40 43 A P S S- 0 0 74 0, 0.0 -1,-0.1 0, 0.0 -5,-0.1 0.715 81.5 -0.2 -72.9 -21.3 48.8 20.9 -20.8 41 44 A a S S- 0 0 7 -5,-0.1 2,-1.2 -7,-0.1 -5,-0.3 -0.893 110.6 -50.9-153.4 177.7 46.4 19.9 -18.1 42 45 A P + 0 0 43 0, 0.0 -7,-0.3 0, 0.0 44,-0.1 -0.420 68.2 144.0 -62.8 95.3 45.9 20.4 -14.3 43 46 A L + 0 0 5 -2,-1.2 61,-2.5 -9,-0.4 2,-0.5 0.248 40.4 95.7-116.4 10.3 49.3 19.6 -13.0 44 47 A T E S-LM 34 103E 2 -10,-2.3 -10,-1.7 59,-0.2 2,-0.5 -0.905 70.6-136.0-105.7 122.5 49.5 22.1 -10.2 45 48 A V E +L 33 0E 0 57,-1.5 115,-2.5 -2,-0.5 2,-0.3 -0.651 38.5 162.5 -79.7 125.0 48.5 20.9 -6.7 46 49 A V E -LN 32 159E 4 -14,-3.0 -14,-3.0 -2,-0.5 2,-0.5 -0.864 40.5-109.3-138.3 171.6 46.3 23.5 -5.0 47 50 A R E -LN 31 158E 10 111,-2.0 111,-0.5 -2,-0.3 -16,-0.2 -0.904 38.9-117.4-104.6 129.1 43.8 24.0 -2.1 48 51 A S - 0 0 5 -18,-3.1 -19,-2.8 -2,-0.5 109,-0.0 -0.369 10.1-147.0 -63.7 139.7 40.2 24.6 -3.1 49 52 A P S S+ 0 0 69 0, 0.0 2,-0.7 0, 0.0 -1,-0.1 0.599 75.7 97.1 -83.3 -9.5 38.8 28.0 -2.1 50 53 A N > - 0 0 80 1,-0.1 3,-1.0 -20,-0.1 -20,-0.3 -0.716 63.3-158.1 -84.4 110.7 35.4 26.4 -1.6 51 54 A E T 3 S+ 0 0 107 -2,-0.7 -1,-0.1 1,-0.3 -24,-0.1 0.646 91.0 52.6 -64.9 -16.5 34.9 25.5 2.1 52 55 A V T 3 S+ 0 0 115 -23,-0.0 2,-0.3 -22,-0.0 -1,-0.3 0.655 89.1 96.5 -92.6 -15.8 32.3 22.9 1.4 53 56 A S < - 0 0 35 -3,-1.0 -23,-1.7 1,-0.1 3,-0.1 -0.576 58.2-160.9 -77.0 130.7 34.5 21.0 -1.1 54 57 A K - 0 0 104 -2,-0.3 -23,-0.5 1,-0.3 -34,-0.3 0.418 36.2-143.6 -86.6 0.7 36.4 18.1 0.3 55 58 A G - 0 0 15 -25,-0.3 -1,-0.3 -5,-0.1 -23,-0.2 -0.300 46.2 -22.2 69.2-156.4 38.7 18.4 -2.7 56 59 A E - 0 0 61 -25,-3.3 -36,-0.4 -36,-0.1 -25,-0.3 -0.597 68.9-105.5 -90.5 147.8 40.1 15.2 -4.3 57 60 A P - 0 0 23 0, 0.0 23,-2.4 0, 0.0 24,-0.4 -0.548 42.3-154.3 -70.4 133.1 40.4 11.8 -2.6 58 61 A I E -DF 18 79D 0 -40,-3.3 -40,-3.0 -2,-0.2 2,-0.5 -0.931 8.9-140.3-117.1 135.9 44.1 11.4 -1.9 59 62 A R E -DF 17 78D 84 19,-3.6 19,-2.0 -2,-0.4 2,-0.6 -0.810 14.2-158.5 -95.5 127.9 46.0 8.1 -1.4 60 63 A I E - F 0 77D 0 -44,-1.4 -45,-3.0 -2,-0.5 -44,-0.4 -0.933 13.2-177.6-108.6 119.5 48.6 8.1 1.3 61 64 A S E - F 0 76D 29 15,-2.3 15,-2.5 -2,-0.6 2,-0.1 -0.956 14.6-138.4-123.0 139.7 51.4 5.4 1.0 62 65 A S E - F 0 75D 21 -2,-0.4 13,-0.2 2,-0.3 4,-0.1 -0.448 20.3-126.6 -91.5 162.3 54.2 4.7 3.4 63 66 A Q S S+ 0 0 78 11,-1.5 2,-0.3 -2,-0.1 12,-0.1 0.636 98.1 65.4 -78.3 -15.2 57.9 3.9 2.7 64 67 A F S S- 0 0 116 10,-0.3 2,-0.5 6,-0.1 -2,-0.3 -0.797 91.7-113.6-110.3 150.9 57.2 0.8 4.8 65 68 A L + 0 0 187 -2,-0.3 2,-0.3 4,-0.0 -2,-0.1 -0.711 65.5 119.6 -81.1 124.7 55.0 -2.2 4.3 66 69 A S S S- 0 0 53 -2,-0.5 -4,-0.2 -4,-0.1 -2,-0.0 -0.924 72.8-114.7-176.5 159.4 52.2 -2.0 6.9 67 70 A L S S+ 0 0 137 -2,-0.3 -53,-2.3 -54,-0.1 2,-0.2 0.706 102.9 39.1 -78.0 -20.3 48.4 -1.7 7.1 68 71 A F B S-C 13 0C 64 -55,-0.3 -55,-0.2 -53,-0.1 -6,-0.1 -0.636 88.7-102.9-122.3 179.0 49.0 1.7 8.7 69 72 A I - 0 0 0 -57,-0.8 -65,-3.0 -65,-0.3 2,-1.1 -0.905 22.1-143.7-111.5 110.6 51.3 4.8 8.4 70 73 A P B > -A 3 0A 34 0, 0.0 3,-4.1 0, 0.0 -67,-0.3 -0.591 18.0-141.1 -72.3 101.2 54.1 5.2 11.0 71 74 A R T 3 S+ 0 0 83 -69,-1.1 48,-0.3 -2,-1.1 -68,-0.1 0.637 99.7 60.1 -38.6 -24.7 54.0 9.0 11.4 72 75 A G T 3 S+ 0 0 57 -70,-0.4 -1,-0.3 46,-0.1 2,-0.2 0.438 94.0 93.3 -86.4 3.0 57.8 9.1 11.6 73 76 A S S < S- 0 0 2 -3,-4.1 46,-0.4 1,-0.1 2,-0.2 -0.557 83.1-106.9 -96.3 157.9 57.9 7.5 8.1 74 77 A L - 0 0 23 -2,-0.2 -11,-1.5 44,-0.1 2,-0.3 -0.519 39.8-165.3 -77.6 149.2 58.2 9.1 4.7 75 78 A V E -FG 62 117D 2 42,-3.0 42,-1.8 -13,-0.2 2,-0.4 -0.935 17.1-140.6-135.6 159.4 55.0 9.0 2.7 76 79 A A E -F 61 0D 3 -15,-2.5 -15,-2.3 -2,-0.3 2,-0.4 -0.905 18.5-152.1-115.4 145.9 54.0 9.6 -0.9 77 80 A L E +F 60 0D 0 37,-0.4 14,-3.2 -2,-0.4 2,-0.3 -0.983 19.5 169.7-124.2 132.0 50.8 11.4 -1.7 78 81 A G E -FH 59 90D 0 -19,-2.0 -19,-3.6 -2,-0.4 2,-0.3 -0.995 36.6-109.7-145.5 149.5 48.7 10.9 -4.8 79 82 A F E -F 58 0D 1 10,-2.0 -21,-0.2 -2,-0.3 -47,-0.0 -0.593 20.2-144.1 -75.4 134.0 45.4 11.7 -6.4 80 83 A A S S+ 0 0 26 -23,-2.4 -1,-0.2 -2,-0.3 -22,-0.1 0.832 101.9 31.9 -65.3 -31.7 43.1 8.7 -6.6 81 84 A N S S- 0 0 116 -24,-0.4 -1,-0.3 8,-0.1 -23,-0.0 -0.679 88.8-169.7-127.4 76.5 41.8 10.1 -9.9 82 85 A P - 0 0 50 0, 0.0 -39,-0.1 0, 0.0 8,-0.0 -0.221 31.0 -90.7 -67.7 154.2 44.7 12.0 -11.5 83 86 A P > - 0 0 25 0, 0.0 3,-0.8 0, 0.0 -42,-0.0 -0.125 42.0-104.6 -58.0 163.1 44.3 14.3 -14.5 84 87 A S T 3 S+ 0 0 121 1,-0.2 -43,-0.0 3,-0.0 0, 0.0 0.832 115.4 48.9 -61.6 -39.7 44.8 12.8 -18.0 85 88 A a T 3 S+ 0 0 34 -43,-0.0 -1,-0.2 2,-0.0 2,-0.2 0.557 85.6 102.9 -83.4 -6.0 48.2 14.2 -18.8 86 89 A A < - 0 0 14 -3,-0.8 20,-0.3 1,-0.1 22,-0.1 -0.559 64.7-148.0 -74.3 140.7 49.8 13.1 -15.5 87 90 A A S S- 0 0 36 18,-3.1 19,-0.2 20,-0.2 -1,-0.1 0.798 80.4 -1.1 -78.0 -31.7 51.9 10.0 -15.9 88 91 A S S S- 0 0 9 17,-0.7 17,-0.4 19,-0.2 -1,-0.2 -0.926 76.1-107.5-148.2 170.0 51.1 8.8 -12.4 89 92 A P S S+ 0 0 33 0, 0.0 -10,-2.0 0, 0.0 2,-0.1 0.635 76.2 116.3 -79.7 -11.5 49.0 10.1 -9.4 90 93 A W B -H 78 0D 53 -12,-0.3 15,-0.5 1,-0.1 -12,-0.3 -0.302 60.1-131.7 -70.5 136.7 52.0 11.1 -7.2 91 94 A W - 0 0 0 -14,-3.2 -14,-0.3 23,-0.1 2,-0.3 -0.525 27.9-178.9 -78.4 149.4 52.8 14.6 -6.0 92 95 A T E -O 103 0E 12 11,-2.4 11,-2.7 -2,-0.2 2,-0.5 -0.887 28.1-115.9-140.6 167.0 56.4 15.7 -6.4 93 96 A V E -O 102 0E 23 20,-0.4 2,-0.4 -2,-0.3 9,-0.2 -0.957 32.0-167.5-112.6 122.5 58.3 19.0 -5.5 94 97 A V E -O 101 0E 67 7,-3.0 7,-2.6 -2,-0.5 2,-0.1 -0.910 18.1-124.0-116.1 137.4 59.7 20.9 -8.5 95 98 A D + 0 0 137 -2,-0.4 3,-0.0 5,-0.2 -1,-0.0 -0.363 37.7 162.4 -72.9 153.7 62.2 23.8 -8.5 96 99 A S > - 0 0 49 -2,-0.1 3,-1.3 1,-0.0 -1,-0.0 -0.963 55.8 -90.3-161.3 170.5 61.2 27.1 -10.2 97 100 A P T 3 S+ 0 0 127 0, 0.0 -1,-0.0 0, 0.0 -2,-0.0 0.826 129.2 46.7 -59.5 -29.1 62.2 30.7 -10.3 98 101 A Q T 3 S- 0 0 157 1,-0.3 -3,-0.0 -3,-0.0 0, 0.0 0.515 124.8 -96.0 -89.8 -7.4 59.7 31.3 -7.5 99 102 A G < - 0 0 25 -3,-1.3 -1,-0.3 2,-0.0 2,-0.1 -0.544 66.5 -21.4 117.8 174.9 60.9 28.4 -5.4 100 103 A P - 0 0 27 0, 0.0 62,-2.6 0, 0.0 2,-0.3 -0.349 62.4-172.5 -61.7 129.5 59.9 24.7 -4.9 101 104 A A E -PO 161 94E 9 -7,-2.6 -7,-3.0 60,-0.2 2,-0.5 -0.934 27.0-116.1-126.4 148.5 56.3 23.9 -5.8 102 105 A V E + O 0 93E 0 58,-2.5 -57,-1.5 -2,-0.3 58,-0.3 -0.717 50.0 158.4 -84.8 124.7 54.1 20.8 -5.4 103 106 A K E -MO 44 92E 35 -11,-2.7 -11,-2.4 -2,-0.5 2,-0.3 -0.861 42.1-119.7-139.2 171.7 53.1 19.4 -8.8 104 107 A L - 0 0 8 -61,-2.5 2,-0.3 -2,-0.3 -13,-0.1 -0.734 40.4-126.4-105.4 159.9 52.0 16.3 -10.7 105 108 A S - 0 0 23 -15,-0.5 -18,-3.1 -17,-0.4 -17,-0.7 -0.860 20.9-151.7-120.5 151.9 54.3 15.0 -13.4 106 109 A Q S S+ 0 0 124 -2,-0.3 2,-0.2 -20,-0.3 -1,-0.1 0.592 85.3 78.9 -84.3 -13.8 54.0 14.1 -17.1 107 110 A Q S S- 0 0 137 1,-0.1 -20,-0.2 -19,-0.0 2,-0.2 -0.621 90.3-109.0 -99.3 152.7 56.9 11.7 -16.3 108 111 A K - 0 0 154 -2,-0.2 -2,-0.1 -21,-0.1 -20,-0.1 -0.588 48.0-138.8 -72.7 142.1 57.0 8.2 -14.7 109 112 A L - 0 0 39 -2,-0.2 2,-0.2 -4,-0.1 -19,-0.0 -0.856 6.6-128.6-117.5 145.9 58.7 8.7 -11.4 110 113 A P >> - 0 0 51 0, 0.0 3,-2.6 0, 0.0 4,-0.7 -0.605 34.4-111.9 -83.4 145.2 61.2 6.9 -9.3 111 114 A E H >> S+ 0 0 149 1,-0.3 4,-2.7 -2,-0.2 3,-1.1 0.806 115.0 62.7 -43.9 -41.6 60.3 6.2 -5.6 112 115 A K H 34 S+ 0 0 150 1,-0.3 -1,-0.3 2,-0.2 -3,-0.0 0.722 101.7 52.9 -60.8 -22.1 62.9 8.6 -4.3 113 116 A D H <4 S+ 0 0 69 -3,-2.6 -20,-0.4 1,-0.1 -1,-0.3 0.666 117.8 33.2 -88.4 -17.8 61.1 11.4 -6.1 114 117 A I H << S+ 0 0 19 -3,-1.1 2,-1.9 -4,-0.7 -37,-0.4 0.680 101.1 74.1-108.6 -25.4 57.7 10.8 -4.6 115 118 A L < + 0 0 29 -4,-2.7 -39,-0.2 -5,-0.2 -1,-0.1 -0.442 67.9 109.9 -86.6 63.6 58.6 9.4 -1.1 116 119 A V + 0 0 7 -2,-1.9 19,-2.9 -41,-0.4 2,-0.3 0.160 51.0 89.5-126.1 17.2 59.5 13.0 -0.0 117 120 A F E -GI 75 134D 0 -42,-1.8 -42,-3.0 -3,-0.3 2,-0.3 -0.850 43.0-179.4-119.5 154.6 56.7 13.9 2.4 118 121 A K E - I 0 133D 50 15,-1.5 15,-3.1 -2,-0.3 2,-0.3 -0.969 22.4-132.9-152.1 133.0 56.3 13.5 6.2 119 122 A F E - I 0 132D 6 -46,-0.4 2,-0.5 -2,-0.3 13,-0.2 -0.676 17.7-160.8 -87.3 141.0 53.4 14.5 8.4 120 123 A E E - I 0 131D 70 11,-2.5 11,-3.3 -2,-0.3 -48,-0.0 -0.974 17.0-128.8-127.1 117.4 54.2 16.4 11.6 121 124 A K E - I 0 130D 79 -2,-0.5 2,-0.5 9,-0.2 9,-0.2 -0.284 16.1-135.1 -63.7 143.1 51.7 16.4 14.4 122 125 A V - 0 0 19 7,-2.2 7,-0.4 1,-0.1 3,-0.1 -0.867 7.5-149.7-100.5 135.8 50.8 19.8 15.9 123 126 A S S S+ 0 0 119 -2,-0.5 2,-1.9 1,-0.2 -1,-0.1 0.894 80.9 70.0 -73.0 -42.1 50.7 19.9 19.7 124 127 A H S S+ 0 0 183 2,-0.0 2,-0.3 5,-0.0 -1,-0.2 -0.476 82.0 87.5 -82.8 74.7 48.1 22.6 20.4 125 128 A S - 0 0 33 -2,-1.9 4,-0.1 -3,-0.1 0, 0.0 -0.968 66.0-140.6-162.6 149.6 44.9 20.8 19.2 126 129 A N S S+ 0 0 174 -2,-0.3 2,-0.1 2,-0.1 -1,-0.1 0.750 92.9 41.4 -85.6 -25.7 42.3 18.4 20.6 127 130 A I S S- 0 0 80 -122,-0.0 2,-0.8 1,-0.0 -120,-0.1 -0.381 108.0 -74.7-106.9-172.3 42.1 16.3 17.4 128 131 A H + 0 0 52 -122,-0.3 2,-0.4 -2,-0.1 44,-0.3 -0.795 55.4 166.8 -97.3 111.5 44.8 15.1 15.1 129 132 A V - 0 0 0 -2,-0.8 -7,-2.2 -7,-0.4 2,-0.4 -0.940 12.9-165.1-119.6 141.0 46.2 17.9 13.0 130 133 A Y E -IJ 121 170D 0 40,-2.7 40,-2.3 -2,-0.4 -9,-0.2 -0.977 15.5-143.8-133.7 143.1 49.4 17.6 10.9 131 134 A K E -IJ 120 169D 53 -11,-3.3 -11,-2.5 -2,-0.4 2,-0.6 -0.616 30.8-121.3 -92.4 161.9 51.7 20.0 9.2 132 135 A L E -I 119 0D 0 36,-0.6 16,-2.7 16,-0.4 2,-0.3 -0.933 25.0-162.9-114.5 119.5 53.3 18.7 5.9 133 136 A L E -IK 118 147D 7 -15,-3.1 -15,-1.5 -2,-0.6 2,-0.4 -0.695 10.1-145.4 -98.5 150.3 57.0 18.5 5.5 134 137 A Y E -IK 117 146D 26 12,-3.3 12,-0.9 -2,-0.3 2,-0.6 -0.929 13.1-155.9-110.4 137.9 59.0 18.2 2.3 135 138 A b E - K 0 144D 0 -19,-2.9 9,-0.3 -2,-0.4 2,-0.1 -0.909 9.2-167.7-122.4 105.8 62.2 16.1 2.6 136 139 A Q E - K 0 143D 75 7,-1.1 7,-2.7 -2,-0.6 2,-0.3 -0.337 42.2 -67.2 -83.9 170.4 64.9 16.7 0.0 137 140 A H - 0 0 111 5,-0.2 5,-0.4 1,-0.1 -1,-0.1 -0.411 30.9-175.9 -66.6 116.9 68.0 14.5 -0.6 138 141 A D > - 0 0 78 3,-0.4 3,-1.2 -2,-0.3 2,-1.0 -0.353 65.0-111.0-102.7 40.4 70.5 14.4 2.2 139 142 A E T 3 S+ 0 0 157 2,-0.3 -1,-0.1 1,-0.3 -2,-0.1 -0.472 100.6 21.1 58.5 -72.2 72.0 12.4 -0.6 140 143 A E T 3 S+ 0 0 188 -2,-1.0 -1,-0.3 -3,-0.0 2,-0.0 0.727 146.6 27.6 -81.2 -17.7 72.2 8.6 -0.2 141 144 A D S < S- 0 0 109 -3,-1.2 -3,-0.4 -4,-0.0 -2,-0.3 0.029 84.9-122.0-108.8-150.4 69.6 9.8 2.3 142 145 A V - 0 0 49 -4,-0.4 2,-0.4 -5,-0.4 -5,-0.2 -0.979 9.0-147.1-161.5 156.3 67.0 12.5 2.8 143 146 A K E -K 136 0D 115 -7,-2.7 -7,-1.1 -2,-0.3 2,-1.0 -0.973 6.9-149.1-141.3 126.1 66.1 15.3 5.4 144 147 A b E +K 135 0D 32 -2,-0.4 -9,-0.2 -9,-0.3 3,-0.0 -0.695 56.7 113.3 -96.4 87.1 62.7 16.7 6.5 145 148 A D E + 0 0 83 -2,-1.0 2,-0.5 -11,-0.5 -1,-0.2 0.580 53.1 82.9-124.1 -27.1 63.2 20.4 7.5 146 149 A Q E -K 134 0D 57 -12,-0.9 -12,-3.3 -3,-0.3 2,-0.1 -0.788 67.9-142.9 -91.0 121.8 61.3 22.4 4.8 147 150 A Y E -K 133 0D 61 16,-0.5 16,-2.2 -2,-0.5 2,-0.4 -0.448 8.3-124.4 -86.8 157.1 57.5 22.9 5.3 148 151 A I E +Q 162 0E 0 -16,-2.7 20,-2.4 14,-0.2 -16,-0.4 -0.815 40.6 154.1 -99.5 132.7 54.7 23.0 2.7 149 152 A G E -QR 161 167E 0 12,-4.0 12,-2.2 -2,-0.4 2,-0.4 -0.602 38.9 -83.2-137.2-161.4 52.4 26.1 2.6 150 153 A I E -Q 160 0E 29 16,-0.6 2,-0.4 10,-0.2 10,-0.2 -0.924 25.3-176.3-119.5 139.9 50.2 28.1 0.3 151 154 A H E -Q 159 0E 109 8,-2.2 8,-1.7 -2,-0.4 2,-0.6 -0.950 19.4-145.6-133.7 112.6 51.0 30.8 -2.3 152 155 A R E -Q 158 0E 134 -2,-0.4 6,-0.2 6,-0.2 -2,-0.0 -0.684 21.2-150.4 -78.3 119.6 48.0 32.5 -4.0 153 156 A D > - 0 0 21 4,-2.2 3,-2.2 -2,-0.6 -1,-0.0 -0.179 35.9 -82.7 -81.8-178.5 49.1 33.3 -7.5 154 157 A R T 3 S+ 0 0 238 1,-0.3 -1,-0.1 2,-0.1 -2,-0.1 0.758 129.5 51.0 -56.7 -27.8 47.8 36.2 -9.7 155 158 A N T 3 S- 0 0 130 2,-0.1 -1,-0.3 0, 0.0 -3,-0.0 0.349 121.5-102.6 -93.8 6.5 44.7 34.2 -10.7 156 159 A G < + 0 0 46 -3,-2.2 2,-0.3 1,-0.3 -2,-0.1 0.545 69.2 149.7 88.2 4.3 43.7 33.2 -7.2 157 160 A N - 0 0 46 1,-0.1 -4,-2.2 -111,-0.0 2,-1.5 -0.589 44.5-140.1 -73.3 129.8 45.0 29.6 -7.3 158 161 A R E -NQ 47 152E 46 -111,-0.5 -111,-2.0 -2,-0.3 -6,-0.2 -0.621 28.4-164.0 -92.8 78.9 46.2 28.6 -3.8 159 162 A R E -NQ 46 151E 53 -8,-1.7 -8,-2.2 -2,-1.5 2,-0.5 -0.357 18.8-126.3 -67.4 136.4 49.3 26.7 -4.9 160 163 A L E + Q 0 150E 2 -115,-2.5 -58,-2.5 -58,-0.3 2,-0.3 -0.736 48.2 153.6 -82.1 126.1 50.9 24.3 -2.5 161 164 A V E -PQ 101 149E 24 -12,-2.2 -12,-4.0 -2,-0.5 2,-0.4 -0.929 52.9 -85.1-146.2 166.9 54.6 25.3 -2.3 162 165 A V E - Q 0 148E 24 -62,-2.6 2,-0.3 -2,-0.3 -14,-0.2 -0.658 54.0-170.4 -75.9 132.4 57.6 25.1 0.1 163 166 A T - 0 0 39 -16,-2.2 -16,-0.5 -2,-0.4 3,-0.1 -0.869 31.3-148.0-125.6 158.5 57.2 28.1 2.4 164 167 A E S S+ 0 0 191 -2,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.840 89.5 21.5 -89.6 -40.6 59.5 29.7 5.0 165 168 A E S S+ 0 0 147 1,-0.2 -1,-0.2 -18,-0.0 0, 0.0 -0.835 112.6 32.2-122.9 161.2 56.7 30.9 7.3 166 169 A N - 0 0 143 -2,-0.3 -16,-0.6 1,-0.1 -1,-0.2 0.958 65.2-164.3 58.0 67.2 53.1 29.8 7.6 167 170 A P B -R 149 0E 32 0, 0.0 -18,-0.3 0, 0.0 -1,-0.1 -0.428 24.8-108.9 -76.0 151.4 52.9 26.0 6.9 168 171 A L - 0 0 7 -20,-2.4 -36,-0.6 -36,-0.2 2,-0.4 -0.366 26.4-145.3 -78.3 163.2 49.5 24.5 6.2 169 172 A E E -J 131 0D 65 -38,-0.2 -146,-0.4 -2,-0.1 2,-0.3 -0.954 17.8-169.5-127.9 147.2 47.9 22.2 8.7 170 173 A L E -J 130 0D 1 -40,-2.3 -40,-2.7 -2,-0.4 2,-0.4 -0.958 21.6-156.6-140.6 157.1 45.7 19.3 7.8 171 174 A V E -E 21 0D 14 -150,-2.2 -150,-2.2 -2,-0.3 2,-0.8 -0.968 28.7-129.9-126.8 141.9 43.3 16.7 9.1 172 175 A L E -E 20 0D 0 -167,-0.4 -165,-2.9 -2,-0.4 2,-0.6 -0.847 22.1-168.3-101.5 105.2 42.9 13.5 7.2 173 176 A L E -E 19 0D 42 -154,-2.5 -154,-3.2 -2,-0.8 2,-0.1 -0.834 24.0-123.5 -97.3 117.7 39.2 12.6 6.5 174 177 A K E E 18 0D 65 -2,-0.6 -156,-0.3 -156,-0.2 -162,-0.0 -0.353 360.0 360.0 -60.1 129.3 38.6 9.1 5.2 175 178 A A 0 0 58 -158,-2.0 -158,-0.2 -117,-0.1 -1,-0.1 -0.504 360.0 360.0 -66.5 360.0 36.7 9.3 1.9