==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-MAY-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 10-JUL-04 1TZM . COMPND 2 MOLECULE: 1-AMINOCYCLOPROPANE-1-CARBOXYLATE DEAMINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS SP.; . AUTHOR S.KARTHIKEYAN,Q.ZHOU,Z.ZHAO,C.L.KAO,Z.TAO,H.ROBINSON,H.W.LIU . 1328 9 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 43664.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 987 74.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 152 11.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 22 1.7 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.2 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 . 107 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 179 13.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 431 32.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 41 3.1 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 7 1 4 0 1 6 2 6 5 2 2 2 3 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 11 5 5 3 4 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 . 3 0 4 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 4 0 4 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 M 0 0 78 0, 0.0 2,-0.4 0, 0.0 240,-0.2 0.000 360.0 360.0 360.0 169.2 26.9 28.7 178.4 2 2 A N + 0 0 74 238,-2.1 3,-0.5 1,-0.1 4,-0.1 -0.860 360.0 163.4-140.6 104.2 25.6 31.9 176.9 3 3 A L S > S+ 0 0 1 -2,-0.4 3,-2.4 1,-0.2 -1,-0.1 0.738 74.7 79.4 -83.3 -27.5 24.4 32.2 173.3 4 4 A Q T 3 S+ 0 0 108 1,-0.3 -1,-0.2 -3,-0.1 4,-0.1 0.657 73.0 78.2 -55.7 -17.9 22.7 35.4 174.4 5 5 A R T 3 S+ 0 0 64 -3,-0.5 -1,-0.3 235,-0.1 -2,-0.1 0.823 87.6 67.8 -62.5 -30.5 26.2 37.1 174.1 6 6 A F S < S- 0 0 60 -3,-2.4 -1,-0.0 -4,-0.1 -3,-0.0 -0.785 91.0-119.1 -97.2 128.2 25.7 37.2 170.4 7 7 A P - 0 0 90 0, 0.0 2,-0.4 0, 0.0 54,-0.1 -0.113 23.0-152.6 -57.2 164.1 23.1 39.4 168.8 8 8 A R - 0 0 111 51,-0.1 49,-0.2 -4,-0.1 48,-0.1 -0.941 6.8-142.7-143.1 113.9 20.3 37.7 166.7 9 9 A Y - 0 0 82 47,-3.3 2,-0.3 -2,-0.4 50,-0.1 -0.726 28.3-116.4 -86.7 119.0 18.6 39.5 163.9 10 10 A P + 0 0 76 0, 0.0 -1,-0.1 0, 0.0 43,-0.1 -0.324 57.2 142.6 -55.7 108.9 14.8 38.6 163.8 11 11 A L + 0 0 8 -2,-0.3 34,-0.4 41,-0.1 2,-0.2 0.284 58.5 62.6-128.6 -1.8 14.1 36.8 160.5 12 12 A T S S- 0 0 30 31,-0.1 31,-0.2 32,-0.1 30,-0.1 -0.689 87.6-110.0-120.9 174.8 11.6 34.2 161.8 13 13 A F S S- 0 0 76 29,-2.1 30,-0.1 1,-0.4 29,-0.1 0.752 71.7 -94.7 -76.9 -22.8 8.2 34.3 163.5 14 14 A G S S+ 0 0 24 28,-0.3 -1,-0.4 0, 0.0 -3,-0.0 -0.908 85.0 7.2 135.7-162.2 9.7 33.1 166.8 15 15 A P S S- 0 0 95 0, 0.0 154,-0.0 0, 0.0 -2,-0.0 -0.073 79.0-117.9 -47.8 149.2 10.0 29.6 168.2 16 16 A T - 0 0 3 1,-0.1 23,-0.1 153,-0.1 26,-0.1 -0.786 31.0-110.5 -95.5 133.4 9.0 26.9 165.8 17 17 A P - 0 0 44 0, 0.0 21,-2.3 0, 0.0 2,-0.5 -0.159 17.9-140.6 -62.6 152.2 6.1 24.7 166.6 18 18 A I E -A 37 0A 38 19,-0.2 19,-0.2 20,-0.1 294,-0.0 -0.962 22.1-172.0-112.4 127.4 6.3 21.0 167.5 19 19 A Q E -A 36 0A 47 17,-2.9 17,-2.2 -2,-0.5 2,-0.2 -0.924 22.2-120.5-122.7 147.5 3.6 18.8 166.1 20 20 A P E -A 35 0A 85 0, 0.0 2,-0.4 0, 0.0 15,-0.3 -0.605 9.8-148.8 -84.4 148.1 2.8 15.2 166.9 21 21 A L > + 0 0 2 13,-3.2 4,-2.9 -2,-0.2 13,-0.3 -0.593 35.8 157.6-113.2 65.6 2.9 12.8 163.9 22 22 A A H > + 0 0 64 -2,-0.4 4,-3.6 2,-0.2 5,-0.2 0.902 68.3 46.6 -57.0 -51.3 0.2 10.5 165.4 23 23 A R H > S+ 0 0 87 256,-0.2 4,-4.1 2,-0.2 5,-0.3 0.980 115.3 45.3 -60.5 -57.1 -0.9 8.9 162.2 24 24 A L H > S+ 0 0 0 1,-0.2 4,-1.5 2,-0.2 6,-0.2 0.953 116.4 47.2 -51.1 -52.4 2.6 8.2 160.9 25 25 A S H ><>S+ 0 0 8 -4,-2.9 5,-2.6 2,-0.2 3,-0.7 0.939 115.3 44.7 -54.6 -50.3 3.5 6.9 164.4 26 26 A K H ><5S+ 0 0 169 -4,-3.6 3,-2.9 1,-0.3 -2,-0.2 0.958 110.0 56.3 -58.1 -51.0 0.4 4.7 164.6 27 27 A H H 3<5S+ 0 0 121 -4,-4.1 -1,-0.3 1,-0.3 -2,-0.2 0.743 106.8 50.7 -50.9 -28.7 1.0 3.6 161.0 28 28 A L T <<5S- 0 0 29 -4,-1.5 -1,-0.3 -3,-0.7 3,-0.2 0.253 135.7 -83.7 -95.8 11.6 4.4 2.4 162.1 29 29 A G T < 5 - 0 0 53 -3,-2.9 -3,-0.2 1,-0.1 -2,-0.2 0.564 51.2-105.7 99.9 9.7 3.1 0.4 165.1 30 30 A G S + b 0 315A 8 -21,-2.3 3,-1.6 -2,-0.6 278,-0.1 -0.503 45.7 150.8 -84.1 73.0 8.7 23.0 161.8 39 39 A E G > S+ 0 0 0 -2,-1.5 3,-1.8 276,-1.1 10,-0.4 0.814 76.3 69.3 -66.1 -28.6 11.8 25.0 160.9 40 40 A D G 3 S+ 0 0 21 275,-1.5 -1,-0.3 1,-0.3 3,-0.2 0.593 101.6 44.8 -64.4 -10.2 10.3 24.8 157.4 41 41 A C G < S+ 0 0 23 -3,-1.6 -1,-0.3 274,-0.2 -2,-0.2 0.159 82.5 106.2-118.7 17.8 7.5 27.1 158.7 42 42 A N S < S+ 0 0 3 -3,-1.8 -29,-2.1 5,-0.2 -28,-0.3 0.490 73.3 38.4 -79.2 -3.3 9.7 29.6 160.6 43 43 A S - 0 0 6 4,-0.3 4,-0.3 -31,-0.2 -31,-0.1 -0.996 52.5-143.5-155.3 155.2 9.5 32.6 158.3 44 44 A G S S+ 0 0 4 -2,-0.3 2,-1.2 -33,-0.2 569,-0.3 0.468 79.3 101.5 -87.1 -4.3 7.6 34.9 155.9 45 45 A L S > S- 0 0 12 -34,-0.4 3,-2.5 1,-0.2 567,-0.2 -0.689 115.1 -49.9 -88.2 90.8 10.7 35.3 153.7 46 46 A A T 3 S- 0 0 4 -2,-1.2 -1,-0.2 565,-0.8 -2,-0.1 0.866 110.0 -52.7 44.6 52.2 10.2 33.0 150.8 47 47 A F T 3 S- 0 0 38 -4,-0.3 -4,-0.3 -3,-0.1 -1,-0.3 0.317 79.9-151.4 71.5 -6.9 9.2 30.0 153.0 48 48 A G < + 0 0 2 -3,-2.5 2,-0.2 -6,-0.1 3,-0.2 0.001 22.1 172.3 43.0-141.5 12.4 30.3 155.2 49 49 A G >> - 0 0 0 -10,-0.4 3,-1.2 1,-0.2 4,-1.0 -0.781 53.9 -32.8 129.4-173.7 13.7 27.1 156.7 50 50 A N H >> S+ 0 0 7 266,-3.2 4,-1.8 1,-0.3 3,-1.3 0.887 129.9 56.7 -47.0 -49.4 16.8 25.9 158.7 51 51 A K H 3> S+ 0 0 14 265,-0.3 4,-2.8 1,-0.3 -1,-0.3 0.843 101.1 57.8 -53.3 -36.3 19.2 28.3 156.9 52 52 A T H <> S+ 0 0 0 -3,-1.2 4,-0.8 2,-0.2 -1,-0.3 0.820 103.5 52.6 -66.7 -29.4 17.1 31.3 157.9 53 53 A R H XX S+ 0 0 16 -3,-1.3 3,-0.9 -4,-1.0 4,-0.5 0.936 110.6 48.2 -68.2 -44.6 17.5 30.3 161.6 54 54 A K H >X S+ 0 0 0 -4,-1.8 3,-1.3 1,-0.2 4,-0.6 0.915 105.9 59.5 -59.4 -44.5 21.3 30.2 161.0 55 55 A L H 3X S+ 0 0 0 -4,-2.8 4,-2.3 1,-0.2 3,-0.5 0.727 86.2 74.5 -59.5 -25.2 21.2 33.6 159.3 56 56 A E H << S+ 0 0 6 -3,-0.9 -47,-3.3 -4,-0.8 -1,-0.2 0.876 103.0 41.1 -58.1 -34.5 19.8 35.4 162.3 57 57 A Y H << S+ 0 0 23 -3,-1.3 4,-0.5 -4,-0.5 -1,-0.2 0.636 114.5 51.4 -87.6 -14.6 23.2 35.2 163.9 58 58 A L H X S+ 0 0 0 -4,-0.6 4,-1.9 -3,-0.5 3,-0.4 0.862 96.3 66.5 -88.9 -36.3 25.2 36.0 160.8 59 59 A I H X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 5,-0.3 0.748 92.4 60.3 -58.2 -31.7 23.4 39.2 159.7 60 60 A P H > S+ 0 0 22 0, 0.0 4,-4.4 0, 0.0 -1,-0.2 0.969 107.7 44.5 -63.5 -48.0 24.5 41.3 162.7 61 61 A E H > S+ 0 0 63 -4,-0.5 4,-3.6 -3,-0.4 6,-0.2 0.961 113.6 52.7 -55.8 -49.5 28.2 40.9 161.8 62 62 A A H <>S+ 0 0 0 -4,-1.9 5,-1.8 1,-0.2 -1,-0.2 0.880 116.6 37.6 -53.0 -43.9 27.2 41.6 158.2 63 63 A L H ><5S+ 0 0 76 -4,-2.6 3,-1.8 3,-0.2 -1,-0.2 0.895 114.1 56.5 -75.0 -42.4 25.4 44.8 159.2 64 64 A A H 3<5S+ 0 0 85 -4,-4.4 -2,-0.2 1,-0.3 -3,-0.2 0.928 106.7 50.1 -54.5 -47.0 28.1 45.6 161.9 65 65 A Q T 3<5S- 0 0 85 -4,-3.6 -1,-0.3 -5,-0.2 -2,-0.2 0.397 113.7-117.9 -76.6 4.1 30.8 45.5 159.2 66 66 A G T < 5 + 0 0 53 -3,-1.8 -3,-0.2 1,-0.2 -2,-0.1 0.649 53.4 165.8 70.9 15.0 28.8 47.8 156.9 67 67 A C < - 0 0 11 -5,-1.8 -1,-0.2 -6,-0.2 3,-0.1 -0.341 23.2-169.0 -64.2 143.6 28.5 45.2 154.1 68 68 A D + 0 0 55 80,-2.1 26,-2.6 1,-0.1 2,-0.4 0.421 65.6 53.5-114.5 0.9 25.9 46.1 151.4 69 69 A T E -fg 94 149B 3 79,-1.8 81,-2.4 24,-0.2 2,-0.6 -0.996 63.8-147.7-140.5 135.7 25.7 42.8 149.6 70 70 A L E -fg 95 150B 0 24,-3.3 26,-2.1 -2,-0.4 2,-0.4 -0.910 21.5-174.7-103.1 126.1 25.1 39.2 150.7 71 71 A V E +fg 96 151B 0 79,-2.1 81,-3.1 -2,-0.6 2,-0.2 -0.970 15.3 144.2-121.6 130.2 27.0 36.7 148.6 72 72 A S E -f 97 0B 0 24,-2.1 26,-2.0 -2,-0.4 2,-0.3 -0.833 25.9-141.1-149.5-168.2 26.6 32.9 148.9 73 73 A I E +f 98 0B 19 79,-0.4 82,-0.5 -2,-0.2 2,-0.3 -0.990 24.2 135.8-161.0 160.3 26.5 29.7 146.9 74 74 A G E -f 99 0B 0 24,-1.9 26,-1.7 -2,-0.3 -2,-0.0 -0.953 52.6 -54.2 174.1 178.7 25.0 26.3 146.4 75 75 A G E > -f 100 0B 1 -2,-0.3 3,-1.3 24,-0.2 26,-0.2 0.084 66.3 -87.1 -61.9-178.7 23.6 23.8 143.8 76 76 A I T 3 S+ 0 0 4 24,-0.5 40,-0.2 1,-0.3 25,-0.1 0.933 130.3 37.2 -60.6 -43.9 20.9 24.8 141.3 77 77 A Q T 3 S+ 0 0 9 38,-0.1 -1,-0.3 39,-0.1 38,-0.1 0.095 86.4 156.3 -99.2 26.8 18.1 23.9 143.7 78 78 A S <> - 0 0 0 -3,-1.3 4,-1.0 1,-0.2 -4,-0.1 -0.247 34.7-161.5 -55.1 127.3 19.9 25.2 146.8 79 79 A N H > S+ 0 0 6 1255,-0.6 4,-2.1 2,-0.2 5,-0.2 0.854 89.2 62.7 -76.8 -34.7 17.6 26.2 149.6 80 80 A Q H > S+ 0 0 0 1254,-2.8 4,-2.1 1,-0.2 5,-0.2 0.919 102.5 46.0 -54.6 -53.2 20.4 28.2 151.1 81 81 A T H > S+ 0 0 0 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.891 109.7 55.3 -61.9 -38.7 20.8 30.7 148.2 82 82 A R H X S+ 0 0 1 -4,-1.0 4,-2.2 1,-0.2 -1,-0.2 0.947 110.1 45.5 -60.2 -44.8 17.0 31.2 148.1 83 83 A Q H X S+ 0 0 3 -4,-2.1 4,-3.2 1,-0.2 5,-0.2 0.871 111.8 52.1 -68.4 -32.5 16.9 32.2 151.7 84 84 A V H X S+ 0 0 0 -4,-2.1 4,-2.9 1,-0.2 -1,-0.2 0.907 108.4 51.6 -67.9 -41.4 19.9 34.4 151.4 85 85 A A H X S+ 0 0 2 -4,-2.8 4,-2.2 2,-0.2 -2,-0.2 0.912 114.4 42.3 -60.7 -42.6 18.2 36.1 148.4 86 86 A A H X S+ 0 0 0 -4,-2.2 4,-2.7 2,-0.2 5,-0.2 0.954 115.5 48.3 -69.6 -50.3 15.0 36.7 150.5 87 87 A V H X S+ 0 0 0 -4,-3.2 4,-2.1 1,-0.2 6,-0.2 0.913 112.2 51.3 -55.9 -41.7 16.9 37.8 153.7 88 88 A A H <>S+ 0 0 0 -4,-2.9 5,-3.1 -5,-0.2 3,-0.2 0.962 110.4 47.1 -60.8 -51.6 19.0 40.1 151.5 89 89 A A H ><5S+ 0 0 8 -4,-2.2 3,-1.4 1,-0.2 -1,-0.2 0.900 112.3 50.5 -57.3 -40.8 16.0 41.7 149.9 90 90 A H H 3<5S+ 0 0 58 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.837 111.4 48.7 -67.1 -32.6 14.3 42.1 153.3 91 91 A L T 3<5S- 0 0 23 -4,-2.1 -1,-0.3 -3,-0.2 -2,-0.2 0.185 116.9-111.7 -92.0 14.7 17.4 43.8 154.8 92 92 A G T < 5S+ 0 0 39 -3,-1.4 2,-0.3 1,-0.2 -3,-0.2 0.771 74.4 134.8 61.5 26.7 17.7 46.2 151.8 93 93 A M < - 0 0 19 -5,-3.1 -24,-0.2 -6,-0.2 -1,-0.2 -0.746 56.5-117.6-108.8 157.4 20.9 44.4 150.7 94 94 A K E -f 69 0B 134 -26,-2.6 -24,-3.3 -2,-0.3 2,-0.4 -0.358 30.7-150.3 -80.9 169.0 22.1 43.3 147.2 95 95 A C E -f 70 0B 11 28,-0.3 30,-2.4 -26,-0.2 2,-0.5 -0.979 16.3-172.4-149.6 130.6 22.7 39.6 146.7 96 96 A V E -fh 71 125B 12 -26,-2.1 -24,-2.1 -2,-0.4 2,-0.4 -0.991 12.1-170.3-124.3 131.2 25.0 37.6 144.5 97 97 A L E -fh 72 126B 0 28,-2.7 30,-2.8 -2,-0.5 2,-0.6 -0.965 13.9-155.7-124.0 137.2 24.6 33.9 144.2 98 98 A V E -fh 73 127B 2 -26,-2.0 -24,-1.9 -2,-0.4 2,-0.5 -0.963 16.5-171.3-110.0 114.7 26.9 31.4 142.6 99 99 A Q E -fh 74 128B 0 28,-2.9 30,-1.8 -2,-0.6 2,-0.2 -0.951 5.3-175.0-110.1 129.2 24.9 28.3 141.7 100 100 A E E -f 75 0B 39 -26,-1.7 2,-1.5 -2,-0.5 -24,-0.5 -0.704 38.4 -98.1-116.1 169.0 26.9 25.3 140.5 101 101 A N + 0 0 54 -2,-0.2 -26,-0.1 -26,-0.2 30,-0.0 -0.677 54.2 156.3 -87.1 83.2 25.8 22.0 139.1 102 102 A W + 0 0 87 -2,-1.5 2,-0.4 1,-0.1 -1,-0.2 0.545 54.1 64.6 -87.4 -7.1 26.1 19.9 142.2 103 103 A V S S- 0 0 10 2,-0.1 2,-2.3 -3,-0.1 160,-0.1 -0.961 75.2-134.5-124.9 136.1 23.7 17.2 141.2 104 104 A N + 0 0 128 -2,-0.4 2,-0.4 158,-0.4 -2,-0.0 -0.461 69.9 118.4 -79.6 66.4 23.9 14.7 138.4 105 105 A Y - 0 0 22 -2,-2.3 2,-0.5 2,-0.1 -2,-0.1 -0.996 45.2-167.2-134.5 135.1 20.3 15.4 137.4 106 106 A S + 0 0 25 -2,-0.4 2,-0.4 4,-0.0 1002,-0.3 -0.945 20.4 159.0-128.8 107.3 19.1 16.8 134.1 107 107 A D > - 0 0 0 -2,-0.5 3,-1.9 1002,-0.1 4,-0.4 -0.999 46.9-120.0-131.5 133.8 15.6 18.0 134.1 108 108 A A T 3 S+ 0 0 1 -2,-0.4 3,-0.2 1,-0.3 -1,-0.1 0.738 111.3 26.0 -42.2 -38.7 14.1 20.5 131.6 109 109 A V T >> S+ 0 0 0 1,-0.1 3,-3.0 214,-0.1 4,-0.8 0.318 81.2 119.1-116.1 13.2 13.2 23.1 134.2 110 110 A Y T <4 S+ 0 0 5 -3,-1.9 3,-0.3 1,-0.3 6,-0.2 0.816 84.8 41.8 -45.7 -40.7 15.7 22.3 137.0 111 111 A D T 34 S+ 0 0 7 -4,-0.4 -1,-0.3 -3,-0.2 -2,-0.1 0.250 116.5 49.0 -94.0 15.5 17.1 25.8 136.7 112 112 A R T <4 S+ 0 0 17 -3,-3.0 2,-0.2 4,-0.0 -2,-0.2 0.350 101.8 53.6-134.7 3.7 13.8 27.7 136.3 113 113 A V S >X S+ 0 0 0 -4,-0.8 4,-1.1 -3,-0.3 3,-0.7 -0.732 92.9 9.4-129.4 179.0 11.4 26.5 139.0 114 114 A G H 3> S+ 0 0 1 -2,-0.2 4,-2.0 1,-0.2 207,-0.2 -0.139 121.4 1.4 56.6-134.2 11.5 26.2 142.8 115 115 A N H 3> S+ 0 0 0 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.907 133.5 47.6 -56.2 -49.6 14.3 27.8 144.7 116 116 A I H <> S+ 0 0 0 -3,-0.7 4,-2.0 -6,-0.2 -1,-0.2 0.887 107.8 56.0 -65.2 -37.4 16.2 29.3 141.9 117 117 A Q H X S+ 0 0 3 -4,-1.1 4,-2.3 1,-0.2 -1,-0.2 0.932 109.2 48.5 -60.2 -43.5 13.1 30.8 140.3 118 118 A M H X S+ 0 0 10 -4,-2.0 4,-3.5 1,-0.2 -1,-0.2 0.949 105.8 56.0 -62.4 -45.6 12.4 32.6 143.6 119 119 A S H <>S+ 0 0 0 -4,-2.2 5,-2.0 1,-0.2 -1,-0.2 0.912 110.3 46.2 -52.8 -45.3 16.0 33.9 143.9 120 120 A R H ><5S+ 0 0 28 -4,-2.0 3,-1.7 1,-0.2 -1,-0.2 0.906 112.1 49.5 -64.5 -43.4 15.6 35.6 140.5 121 121 A I H 3<5S+ 0 0 0 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.936 106.1 58.4 -61.4 -40.5 12.2 37.0 141.4 122 122 A L T 3<5S- 0 0 6 -4,-3.5 -1,-0.3 -5,-0.2 -2,-0.2 0.459 121.9-109.4 -67.9 0.5 13.7 38.3 144.6 123 123 A G T < 5 + 0 0 42 -3,-1.7 -28,-0.3 1,-0.2 -3,-0.2 0.534 65.9 148.6 86.7 6.6 16.2 40.3 142.6 124 124 A A < - 0 0 13 -5,-2.0 2,-0.9 -30,-0.1 -1,-0.2 -0.338 55.7-115.6 -71.3 155.0 19.4 38.3 143.3 125 125 A D E -h 96 0B 72 -30,-2.4 -28,-2.7 2,-0.0 2,-0.8 -0.870 34.8-157.8 -91.9 110.8 22.1 38.1 140.6 126 126 A V E -h 97 0B 22 -2,-0.9 2,-0.6 -30,-0.2 -28,-0.2 -0.843 7.0-165.8-100.0 104.4 22.0 34.4 139.9 127 127 A R E -h 98 0B 85 -30,-2.8 -28,-2.9 -2,-0.8 2,-0.7 -0.816 4.0-158.2 -97.4 116.5 25.3 33.3 138.3 128 128 A L E -h 99 0B 67 -2,-0.6 -28,-0.2 -30,-0.2 -30,-0.1 -0.839 22.1-122.4 -98.0 114.1 25.3 29.8 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D Q H X S+ 0 0 3 -4,-1.3 4,-1.9 1,-0.2 -1,-0.2 0.954 108.2 48.8 -61.1 -48.0 4.2 13.8 121.3 1120 118 D M H X S+ 0 0 7 -4,-1.7 4,-2.5 1,-0.2 -2,-0.2 0.873 106.2 56.9 -59.4 -37.9 4.0 12.9 117.6 1121 119 D S H <>S+ 0 0 0 -4,-1.8 5,-2.4 1,-0.2 -1,-0.2 0.893 107.4 47.6 -62.2 -41.0 2.3 9.6 118.3 1122 120 D R H ><5S+ 0 0 27 -4,-1.8 3,-1.3 3,-0.2 -1,-0.2 0.883 112.0 48.8 -69.3 -37.4 -0.5 11.2 120.2 1123 121 D I H 3<5S+ 0 0 0 -4,-1.9 -2,-0.2 1,-0.3 -1,-0.2 0.916 104.7 60.0 -66.8 -38.8 -1.1 13.8 117.5 1124 122 D L T 3<5S- 0 0 6 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.2 0.366 123.8-106.0 -69.0 5.3 -1.0 11.0 114.9 1125 123 D G T < 5 + 0 0 41 -3,-1.3 -28,-0.3 1,-0.2 -3,-0.2 0.620 67.1 152.1 81.5 12.0 -4.0 9.5 116.7 1126 124 D A < - 0 0 11 -5,-2.4 2,-1.1 -6,-0.2 -1,-0.2 -0.454 51.1-121.7 -75.4 149.1 -2.3 6.6 118.4 1127 125 D D E -h 1098 0J 78 -30,-3.0 -28,-2.8 -2,-0.1 2,-0.8 -0.822 33.3-158.7 -92.4 105.4 -3.7 5.3 121.7 1128 126 D V E -h 1099 0J 22 -2,-1.1 2,-0.7 -30,-0.2 -28,-0.2 -0.771 9.0-169.4 -95.5 106.8 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-4.6 124.6 1139 145 D L H X S+ 0 0 9 -4,-1.7 4,-1.8 2,-0.2 3,-0.4 0.941 115.0 48.0 -52.5 -53.9 -3.4 -7.2 122.0 1140 146 D E H X S+ 0 0 40 -4,-3.0 4,-2.7 1,-0.2 5,-0.3 0.956 108.3 56.5 -52.3 -52.6 -6.2 -9.0 123.9 1141 147 D S H X S+ 0 0 40 -4,-3.5 4,-1.4 -5,-0.2 -1,-0.2 0.833 104.6 51.9 -50.2 -40.6 -7.9 -5.7 124.5 1142 148 D V H >X>S+ 0 0 8 -4,-2.0 5,-2.0 -3,-0.4 3,-1.4 0.994 111.6 45.0 -62.1 -59.4 -8.0 -4.9 120.8 1143 149 D R H ><5S+ 0 0 130 -4,-1.8 3,-3.4 1,-0.3 4,-0.2 0.943 112.9 52.1 -42.8 -61.8 -9.7 -8.3 119.9 1144 150 D A H 3<5S+ 0 0 92 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.2 0.733 105.5 55.4 -47.4 -30.5 -12.0 -7.8 122.8 1145 151 D A H <<5S- 0 0 86 -3,-1.4 -1,-0.3 -4,-1.4 -2,-0.2 0.554 129.3 -97.1 -82.5 -8.7 -12.9 -4.4 121.4 1146 152 D G T <<5S+ 0 0 66 -3,-3.4 2,-0.2 -4,-0.7 -3,-0.2 0.615 84.8 118.6 102.7 18.8 -13.8 -6.0 118.1 1147 153 D G < - 0 0 12 -5,-2.0 -1,-0.3 -4,-0.2 -2,-0.1 -0.708 62.7-126.3-117.5 167.5 -10.6 -5.4 116.2 1148 154 D K - 0 0 110 -2,-0.2 -78,-2.8 -80,-0.1 -77,-1.9 -0.886 31.9-158.6-113.5 102.1 -7.9 -7.4 114.5 1149 155 D P E -g 1071 0J 20 0, 0.0 2,-0.6 0, 0.0 -77,-0.2 -0.582 9.6-146.2 -82.4 136.5 -4.5 -6.3 115.9 1150 156 D Y E -g 1072 0J 8 -79,-3.4 -77,-2.6 -2,-0.3 2,-0.5 -0.911 22.4-133.9-101.1 122.1 -1.2 -6.8 114.1 1151 157 D A E -g 1073 0J 37 -2,-0.6 -77,-0.2 -79,-0.2 -79,-0.0 -0.656 23.8-178.5 -82.8 122.5 1.6 -7.5 116.6 1152 158 D I E -g 1074 0J 0 -79,-2.2 -77,-0.5 -2,-0.5 3,-0.1 -0.927 18.5-145.6-122.0 104.5 4.8 -5.6 116.1 1153 159 D P > - 0 0 26 0, 0.0 3,-2.9 0, 0.0 4,-0.1 -0.194 47.2 -60.8 -64.5 160.5 7.5 -6.5 118.6 1154 160 D A G >> S+ 0 0 27 1,-0.3 3,-1.1 2,-0.2 4,-0.6 -0.082 125.8 0.0 -43.2 134.9 9.9 -3.8 119.8 1155 161 D G G 34 S- 0 0 5 -80,-0.5 -1,-0.3 1,-0.3 40,-0.1 0.543 109.4 -94.3 58.6 10.4 11.9 -2.4 116.9 1156 162 D C G <4 S+ 0 0 0 -3,-2.9 -1,-0.3 2,-0.1 3,-0.2 0.420 99.9 122.2 63.9 -4.3 10.1 -4.8 114.6 1157 163 D S T <4 + 0 0 0 -3,-1.1 2,-2.3 1,-0.2 -2,-0.1 0.918 55.1 51.4 -58.5 -60.6 13.1 -7.0 115.3 1158 164 D D S < S+ 0 0 92 -4,-0.6 -1,-0.2 4,-0.1 -2,-0.1 -0.479 91.5 104.7 -82.1 72.7 11.9 -10.3 116.8 1159 165 D H S > S- 0 0 22 -2,-2.3 3,-1.2 -3,-0.2 4,-0.4 -0.980 82.1-115.0-152.2 138.3 9.4 -10.9 114.0 1160 166 D P T 3 S+ 0 0 87 0, 0.0 3,-0.3 0, 0.0 79,-0.1 0.806 119.1 32.6 -43.0 -39.5 9.6 -13.3 110.9 1161 167 D L T >> S+ 0 0 13 1,-0.2 3,-2.2 2,-0.1 4,-0.6 0.575 89.0 102.3 -98.4 -9.5 9.7 -10.3 108.5 1162 168 D G T <4 S+ 0 0 0 -3,-1.2 4,-0.3 1,-0.3 -1,-0.2 0.680 82.7 49.0 -48.1 -21.9 11.6 -7.9 110.7 1163 169 D G T 3> S+ 0 0 0 -4,-0.4 4,-0.7 -3,-0.3 -1,-0.3 0.561 87.1 79.5-101.1 -5.6 14.8 -8.6 108.8 1164 170 D L H X> S+ 0 0 1 -3,-2.2 4,-2.4 1,-0.2 3,-1.5 0.936 80.8 67.7 -69.6 -42.2 13.8 -8.2 105.2 1165 171 D G H 3X S+ 0 0 0 -4,-0.6 4,-0.9 -109,-0.3 -1,-0.2 0.905 107.7 38.5 -42.1 -53.7 13.9 -4.4 105.1 1166 172 D F H 3> S+ 0 0 1 -4,-0.3 4,-1.3 29,-0.3 -1,-0.3 0.588 103.6 65.1 -82.8 -5.1 17.7 -4.3 105.6 1167 173 D V H XX S+ 0 0 0 -3,-1.5 4,-1.6 -4,-0.7 3,-0.5 0.923 106.0 50.1 -70.6 -43.4 18.5 -7.2 103.4 1168 174 D G H 3X S+ 0 0 11 -4,-2.4 4,-2.9 1,-0.2 -2,-0.2 0.852 99.8 64.9 -58.1 -34.6 17.1 -4.8 100.9 1169 175 D F H 3X S+ 0 0 0 -4,-0.9 4,-2.4 -5,-0.2 -1,-0.2 0.917 103.4 45.4 -56.1 -46.1 19.4 -2.1 102.2 1170 176 D A H S+ 0 0 5 -4,-2.3 5,-2.0 -5,-0.2 4,-0.8 0.908 106.6 50.0 -64.6 -39.4 27.9 1.4 94.5 1178 184 D A H ><5S+ 0 0 73 -4,-2.5 3,-3.3 1,-0.2 -2,-0.2 0.997 108.3 51.1 -57.8 -65.3 27.6 0.5 90.8 1179 185 D E H 3<5S+ 0 0 161 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.796 113.3 47.9 -40.5 -36.9 26.3 4.0 90.0 1180 186 D L H 3<5S- 0 0 80 -4,-1.9 -1,-0.3 2,-0.3 -2,-0.2 0.568 107.4-125.6 -86.0 -10.9 29.2 5.4 91.9 1181 187 D G T <<5S+ 0 0 70 -3,-3.3 2,-0.3 -4,-0.8 -3,-0.2 0.784 80.3 59.7 73.0 25.3 31.8 3.3 90.2 1182 188 D F S S+ 0 0 2 1,-0.1 4,-2.5 -37,-0.0 3,-0.2 -0.114 77.1 97.9 103.7 -39.6 18.8 -6.4 116.3 1195 201 D S H > S+ 0 0 0 1,-0.2 4,-2.2 2,-0.2 -29,-0.3 0.735 81.6 61.1 -66.3 -20.3 16.9 -6.7 113.0 1196 202 D T H > S+ 0 0 6 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.966 114.3 33.9 -69.3 -48.8 18.5 -3.6 111.4 1197 203 D Q H > S+ 0 0 0 -3,-0.2 4,-3.1 2,-0.2 -2,-0.2 0.902 117.4 55.5 -71.3 -38.1 22.0 -5.0 111.6 1198 204 D A H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 5,-0.2 0.955 106.7 49.8 -59.2 -49.2 20.8 -8.6 111.1 1199 205 D G H X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.914 113.6 47.3 -53.7 -45.7 19.1 -7.6 107.8 1200 206 D M H X S+ 0 0 0 -4,-1.6 4,-2.2 -5,-0.2 5,-0.2 0.907 106.9 55.8 -63.2 -46.3 22.3 -5.9 106.7 1201 207 D V H X S+ 0 0 0 -4,-3.1 4,-1.3 1,-0.2 -1,-0.2 0.931 112.0 44.5 -52.5 -46.2 24.5 -8.9 107.7 1202 208 D V H X S+ 0 0 0 -4,-2.5 4,-1.7 1,-0.2 3,-0.4 0.950 112.1 49.5 -65.6 -49.7 22.4 -11.1 105.5 1203 209 D G H < S+ 0 0 0 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.801 118.1 41.2 -61.0 -28.8 22.3 -8.8 102.5 1204 210 D F H ><>S+ 0 0 4 -4,-2.2 5,-3.5 -5,-0.2 3,-1.0 0.586 101.3 67.4 -94.9 -13.9 26.0 -8.3 102.7 1205 211 D A H ><5S+ 0 0 9 -4,-1.3 3,-3.0 -3,-0.4 -2,-0.2 0.943 90.2 69.8 -65.0 -43.8 26.9 -11.9 103.3 1206 212 D A T 3<5S+ 0 0 54 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.609 111.3 28.6 -46.1 -20.5 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