#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1arq n LYS 2 N 0.00 0.00 -1.20 0.03 5.02 -1.26 -4.78 118.16 115.97 1arq n LYS 2 Ca 0.00 0.00 -0.35 0.00 -2.02 0.00 0.00 58.31 55.94 1arq n LYS 2 Cb 0.00 -1.32 -0.02 0.00 -0.02 0.00 0.00 35.03 33.66 1arq n LYS 2 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1arq n GLY 3 N 0.00 3.73 3.22 0.72 0.00 -1.26 -4.59 105.19 107.01 1arq n GLY 3 Ca 0.00 -1.29 -0.12 0.00 0.00 0.00 0.00 46.02 44.61 1arq n GLY 3 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1arq n MET 4 N 4.69 -0.96 -0.06 1.61 2.81 -1.26 -4.86 117.12 119.09 1arq n MET 4 Ca 0.60 -0.00 -0.11 0.00 -1.81 0.00 0.00 57.70 56.38 1arq n MET 4 Cb 0.25 -1.18 0.03 0.00 -0.71 0.00 0.00 33.22 31.62 1arq n MET 4 CO 0.00 0.00 0.00 0.66 1.51 0.00 0.00 175.97 178.14 1arq h SER 5 N 0.11 0.81 0.27 7.83 4.64 -1.90 -2.54 113.55 122.77 1arq h SER 5 Ca -0.24 -0.38 -0.00 0.00 -0.47 0.00 0.00 61.79 60.71 1arq h SER 5 Cb 0.50 -0.23 -0.00 0.00 -0.31 0.00 0.00 62.40 62.36 1arq h SER 5 CO 0.25 1.12 -0.01 0.11 -0.87 0.00 0.00 176.83 177.43 1arq h LYS 6 N 0.62 0.00 -4.36 4.77 6.56 -1.95 -3.31 116.57 118.90 1arq h LYS 6 Ca 0.05 0.00 -0.73 0.00 -1.06 0.00 0.00 60.65 58.91 1arq h LYS 6 Cb 0.97 0.00 -0.23 0.00 -0.57 0.00 0.00 32.23 32.39 1arq h LYS 6 CO 0.09 0.01 -0.37 -1.64 -2.06 0.00 0.00 179.45 175.48 1arq s MET 7 N -4.06 2.91 -0.55 3.15 -1.94 -0.96 -4.99 119.30 112.86 1arq s MET 7 Ca -0.03 -1.33 -0.26 0.00 -1.71 0.00 0.00 55.69 52.35 1arq s MET 7 Cb 0.12 -4.04 -0.08 0.00 2.01 0.00 0.00 34.83 32.84 1arq s MET 7 CO 0.46 -0.98 2.41 -2.14 -0.01 0.00 0.00 175.02 174.76 1arq s PRO 8 N 1.60 1.99 0.42 2.03 0.02 -1.25 -4.94 135.00 134.88 1arq s PRO 8 Ca 0.04 1.22 -0.24 0.00 0.02 0.00 0.00 61.00 62.04 1arq s PRO 8 Cb -0.23 -4.63 -0.08 0.00 0.02 0.00 0.00 34.50 29.58 1arq s PRO 8 CO 0.06 -3.53 1.15 1.14 -0.33 0.00 0.00 177.00 175.49 1arq s GLN 9 N 8.40 3.95 0.16 5.54 -2.07 -1.26 -5.13 119.66 129.26 1arq s GLN 9 Ca 0.96 1.76 -0.13 0.00 -1.82 0.00 0.00 55.36 56.13 1arq s GLN 9 Cb -0.16 -2.54 0.01 0.00 -1.09 0.00 0.00 33.01 29.23 1arq s GLN 9 CO 0.22 -0.39 0.38 -0.59 -1.32 0.00 0.00 175.29 173.59 1arq s PHE 10 N -1.51 0.10 -0.06 9.60 -0.71 -1.26 -5.17 117.98 118.96 1arq s PHE 10 Ca 0.60 -0.45 0.06 0.00 -1.04 0.00 0.00 56.93 56.09 1arq s PHE 10 Cb -0.28 0.15 -0.01 0.00 -1.21 0.00 0.00 43.02 41.66 1arq s PHE 10 CO 0.35 -0.77 -0.24 1.21 -1.34 0.00 0.00 175.22 174.44 1arq s ASN 11 N -2.90 3.20 -0.26 1.98 2.47 -1.26 -5.11 114.94 113.06 1arq s ASN 11 Ca 0.11 -0.48 -0.05 0.00 0.42 0.00 0.00 52.86 52.86 1arq s ASN 11 Cb 0.02 -0.88 0.01 0.00 -1.45 0.00 0.00 41.25 38.94 1arq s ASN 11 CO -0.04 0.25 0.02 -0.76 -3.72 0.00 0.00 177.10 172.85 1arq s LEU 12 N -0.18 3.45 -0.29 3.21 1.43 -1.26 -5.09 118.68 119.94 1arq s LEU 12 Ca -0.03 -0.62 -0.08 0.00 -1.03 0.00 0.00 54.13 52.37 1arq s LEU 12 Cb -0.14 -1.81 -0.00 0.00 0.03 0.00 0.00 46.19 44.28 1arq s LEU 12 CO 0.04 -0.12 0.11 0.00 0.23 0.00 0.00 176.35 176.60 1arq s ARG 13 N 1.47 3.26 0.09 1.70 3.03 -1.26 -5.09 118.95 122.14 1arq s ARG 13 Ca 0.03 -0.76 0.03 0.00 2.03 0.00 0.00 55.73 57.07 1arq s ARG 13 Cb -0.16 -3.44 -0.04 0.00 -1.03 0.00 0.00 34.95 30.29 1arq s ARG 13 CO -0.00 -0.40 -0.10 -1.58 -1.13 0.00 0.00 175.30 172.09 1arq s TRP 14 N 1.56 1.01 0.31 5.89 0.52 -1.26 -5.13 118.94 121.83 1arq s TRP 14 Ca 0.04 -0.67 -0.29 0.00 0.02 0.00 0.00 56.10 55.20 1arq s TRP 14 Cb -0.17 -0.56 -0.12 0.00 -1.15 0.00 0.00 33.47 31.47 1arq s TRP 14 CO 0.04 -0.02 1.42 -0.35 0.02 0.00 0.00 176.95 178.06 1arq n PRO 15 N 0.58 2.31 -0.20 4.98 -0.04 -1.26 -4.83 135.00 136.54 1arq n PRO 15 Ca -0.16 0.82 -0.03 0.00 -0.04 0.00 0.00 63.50 64.09 1arq n PRO 15 Cb 0.58 -2.49 -0.01 0.00 -0.04 0.00 0.00 33.50 31.53 1arq n PRO 15 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 1arq n ARG 16 N 1.32 -0.17 -0.19 0.54 0.63 -1.26 -1.48 116.66 116.05 1arq n ARG 16 Ca 0.07 0.76 -0.03 0.00 -0.92 0.00 0.00 57.85 57.73 1arq n ARG 16 Cb 0.35 -1.12 0.17 0.00 0.45 0.00 0.00 32.46 32.31 1arq n ARG 16 CO 0.00 0.00 0.00 0.93 -2.51 0.00 0.00 177.63 176.05 1arq h GLU 17 N 0.00 0.96 -0.01 -0.14 5.08 -1.98 0.29 114.58 118.77 1arq h GLU 17 Ca 0.13 -0.16 -0.00 0.00 -1.00 0.00 0.00 59.36 58.33 1arq h GLU 17 Cb 0.25 -0.16 -0.00 0.00 0.50 0.00 0.00 28.75 29.34 1arq h GLU 17 CO -0.48 0.78 0.00 0.28 -1.00 0.00 0.00 179.01 178.59 1arq h VAL 18 N 0.94 1.16 -0.17 3.13 2.07 -1.63 0.11 116.25 121.86 1arq h VAL 18 Ca 0.22 -0.48 -0.06 0.00 0.82 0.00 0.00 66.70 67.20 1arq h VAL 18 Cb 0.18 1.47 -0.01 0.00 -1.52 0.00 0.00 31.29 31.40 1arq h VAL 18 CO -0.02 0.13 -0.17 0.25 0.02 0.00 0.00 177.57 177.77 1arq h LEU 19 N -0.18 0.28 0.10 2.57 5.85 -0.97 -0.57 115.31 122.40 1arq h LEU 19 Ca 0.00 -0.07 -0.01 0.00 0.84 0.00 0.00 57.88 58.65 1arq h LEU 19 Cb 0.20 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.16 1arq h LEU 19 CO -0.00 0.48 -0.05 0.44 -0.34 0.00 0.00 178.44 178.97 1arq h ASP 20 N 0.27 -0.12 -0.78 1.25 3.32 -0.24 -3.01 116.42 117.11 1arq h ASP 20 Ca 0.05 -0.32 -0.02 0.00 0.02 0.00 0.00 57.03 56.76 1arq h ASP 20 Cb 0.47 0.03 -0.04 0.00 0.22 0.00 0.00 39.33 40.02 1arq h ASP 20 CO 0.03 0.27 0.42 0.25 -1.72 0.00 0.00 179.24 178.49 1arq h LEU 21 N -0.53 0.98 -0.29 1.55 5.85 0.42 -0.94 115.31 122.35 1arq h LEU 21 Ca -0.01 -0.11 0.06 0.00 0.84 0.00 0.00 57.88 58.66 1arq h LEU 21 Cb 0.43 -0.25 -0.06 0.00 0.37 0.00 0.00 40.66 41.15 1arq h LEU 21 CO 0.02 0.81 -0.11 0.58 -0.34 0.00 0.00 178.44 179.40 1arq h VAL 22 N 1.09 0.63 -0.57 1.05 2.07 -1.24 -1.04 116.25 118.24 1arq h VAL 22 Ca 0.27 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.82 1arq h VAL 22 Cb 0.05 0.63 -0.04 0.00 -1.52 0.00 0.00 31.29 30.41 1arq h VAL 22 CO -0.04 0.00 0.34 0.03 0.02 0.00 0.00 177.57 177.92 1arq h ARG 23 N -0.05 0.66 0.35 1.57 3.08 -1.07 0.23 114.38 119.14 1arq h ARG 23 Ca 0.15 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 60.15 1arq h ARG 23 Cb 0.27 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 30.17 1arq h ARG 23 CO -0.33 0.44 -0.23 -0.22 -1.07 0.00 0.00 179.97 178.56 1arq h LYS 24 N 0.68 -0.54 -0.29 0.04 3.64 -0.67 0.14 116.57 119.57 1arq h LYS 24 Ca 0.23 0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.63 1arq h LYS 24 Cb 0.04 0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 31.97 1arq h LYS 24 CO -0.11 -0.36 0.12 0.28 -2.27 0.00 0.00 179.45 177.11 1arq h VAL 25 N -0.56 1.18 -0.35 2.00 2.07 -0.72 -0.23 116.25 119.63 1arq h VAL 25 Ca -0.03 -0.53 -0.15 0.00 0.82 0.00 0.00 66.70 66.81 1arq h VAL 25 Cb 0.47 0.99 -0.01 0.00 -1.52 0.00 0.00 31.29 31.22 1arq h VAL 25 CO 0.02 0.18 -0.37 0.00 0.02 0.00 0.00 177.57 177.43 1arq h ALA 26 N 0.96 0.68 -0.54 1.67 0.00 -0.02 -2.87 119.26 119.13 1arq h ALA 26 Ca 0.10 -0.44 -0.10 0.00 0.00 0.00 0.00 54.91 54.46 1arq h ALA 26 Cb 0.18 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 1arq h ALA 26 CO -0.01 0.67 -0.05 0.93 0.00 0.00 0.00 179.25 180.78 1arq h GLU 27 N 0.68 0.99 -0.87 0.00 5.08 -0.64 0.83 114.58 120.66 1arq h GLU 27 Ca 0.06 -0.35 0.22 0.00 -1.00 0.00 0.00 59.36 58.30 1arq h GLU 27 Cb 0.94 -0.08 -0.13 0.00 0.50 0.00 0.00 28.75 29.98 1arq h GLU 27 CO 0.09 1.02 0.29 1.49 -1.00 0.00 0.00 179.01 180.90 1arq h GLU 28 N 0.87 0.28 -0.58 2.33 4.81 -0.85 -0.25 114.58 121.19 1arq h GLU 28 Ca 0.15 -0.02 -0.26 0.00 -0.13 0.00 0.00 59.36 59.10 1arq h GLU 28 Cb 0.61 -0.06 -0.15 0.00 0.63 0.00 0.00 28.75 29.77 1arq h GLU 28 CO 0.04 0.19 0.18 0.27 -0.73 0.00 0.00 179.01 178.96 1arq n ASN 29 N -5.14 3.33 -2.51 1.04 0.23 -0.98 -4.99 115.26 106.24 1arq n ASN 29 Ca 0.21 -3.56 -0.21 0.00 -0.53 0.00 0.00 54.58 50.48 1arq n ASN 29 Cb 0.64 -0.70 0.00 0.00 -2.08 0.00 0.00 39.78 37.65 1arq n ASN 29 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1arq n GLY 30 N -0.92 -0.49 3.61 4.83 0.00 -0.11 -5.00 105.19 107.12 1arq n GLY 30 Ca 0.40 0.02 -0.31 0.00 0.00 0.00 0.00 46.02 46.13 1arq n GLY 30 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1arq s ARG 31 N -5.20 2.44 -0.19 1.61 0.52 0.22 -4.96 118.95 113.39 1arq s ARG 31 Ca 0.08 -0.82 0.01 0.00 -0.52 0.00 0.00 55.73 54.47 1arq s ARG 31 Cb -0.04 -2.46 0.21 0.00 0.52 0.00 0.00 34.95 33.19 1arq s ARG 31 CO 0.10 0.56 1.59 -1.13 0.02 0.00 0.00 175.30 176.45 1arq n SER 32 N 1.13 4.40 0.00 0.23 3.41 -1.26 -3.69 113.62 117.83 1arq n SER 32 Ca -0.14 -2.71 0.00 0.00 -0.26 0.00 0.00 58.87 55.76 1arq n SER 32 Cb 0.52 -0.80 0.00 0.00 -0.26 0.00 0.00 64.21 63.68 1arq n SER 32 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 1arq n VAL 33 N 0.18 0.00 -0.30 -3.33 0.31 -1.26 -4.57 118.33 109.35 1arq n VAL 33 Ca 0.22 0.00 0.08 0.00 -0.01 0.00 0.00 64.34 64.64 1arq n VAL 33 Cb 0.79 0.00 0.24 0.00 -0.91 0.00 0.00 33.84 33.96 1arq n VAL 33 CO 0.00 0.00 0.00 -1.13 -1.32 0.00 0.00 176.83 174.38 1arq h ASN 34 N 0.00 0.54 0.03 4.52 -1.24 -2.00 0.25 115.58 117.68 1arq h ASN 34 Ca 0.00 0.10 -0.16 0.00 0.71 0.00 0.00 56.30 56.95 1arq h ASN 34 Cb 0.00 0.01 0.01 0.00 0.73 0.00 0.00 38.32 39.08 1arq h ASN 34 CO 0.00 0.21 -0.64 -1.28 -1.29 0.00 0.00 177.43 174.43 1arq h SER 35 N 0.62 0.51 -0.82 1.15 0.87 -1.93 -1.78 113.55 112.17 1arq h SER 35 Ca 0.49 -0.80 0.08 0.00 -1.23 0.00 0.00 61.79 60.33 1arq h SER 35 Cb 0.72 -0.16 -0.07 0.00 -0.44 0.00 0.00 62.40 62.45 1arq h SER 35 CO -0.38 1.25 0.48 -0.33 -0.53 0.00 0.00 176.83 177.32 1arq h GLU 36 N -0.16 0.80 0.08 2.24 5.08 -1.58 0.58 114.58 121.61 1arq h GLU 36 Ca -0.09 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.22 1arq h GLU 36 Cb 1.37 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 30.44 1arq h GLU 36 CO 0.12 0.53 -0.04 0.82 -1.00 0.00 0.00 179.01 179.45 1arq h ILE 37 N 0.83 1.03 -0.13 3.13 2.04 -1.09 -1.86 117.51 121.46 1arq h ILE 37 Ca 0.38 -0.35 0.03 0.00 1.00 0.00 0.00 64.86 65.92 1arq h ILE 37 Cb 0.30 1.26 -0.05 0.00 -0.74 0.00 0.00 36.82 37.58 1arq h ILE 37 CO -0.22 0.09 -0.46 0.22 0.00 0.00 0.00 178.15 177.78 1arq h TYR 38 N -0.26 -1.36 -0.08 1.37 3.20 -0.36 -1.54 116.97 117.94 1arq h TYR 38 Ca -0.01 0.05 -0.06 0.00 3.14 0.00 0.00 58.73 61.86 1arq h TYR 38 Cb 0.22 0.61 -0.01 0.00 1.54 0.00 0.00 36.73 39.09 1arq h TYR 38 CO -0.02 -0.45 -0.21 -0.56 -1.64 0.00 0.00 178.16 175.28 1arq h GLN 39 N -0.48 0.13 -0.18 1.82 3.07 -0.92 -2.57 115.11 115.99 1arq h GLN 39 Ca 0.03 -0.03 -0.18 0.00 0.09 0.00 0.00 58.65 58.55 1arq h GLN 39 Cb 0.56 -0.02 -0.00 0.00 0.08 0.00 0.00 27.48 28.11 1arq h GLN 39 CO -0.37 0.34 -0.62 0.00 0.09 0.00 0.00 178.83 178.26 1arq h ARG 40 N 0.12 0.62 -0.33 0.06 2.47 -0.91 -0.04 114.38 116.38 1arq h ARG 40 Ca 0.02 -0.43 -0.15 0.00 -1.26 0.00 0.00 59.98 58.15 1arq h ARG 40 Cb 0.45 0.07 -0.00 0.00 -1.65 0.00 0.00 29.97 28.83 1arq h ARG 40 CO 0.03 1.05 -0.39 0.28 0.56 0.00 0.00 179.97 181.50 1arq h VAL 41 N 0.46 1.28 -0.52 2.04 2.07 -0.92 -2.65 116.25 118.01 1arq h VAL 41 Ca -0.01 -1.57 -0.01 0.00 0.82 0.00 0.00 66.70 65.93 1arq h VAL 41 Cb 1.20 1.52 -0.02 0.00 -1.52 0.00 0.00 31.29 32.46 1arq h VAL 41 CO 0.12 0.52 0.29 -0.03 0.02 0.00 0.00 177.57 178.49 1arq h MET 42 N 0.63 0.72 -0.46 1.57 -1.53 -1.16 -2.26 114.93 112.45 1arq h MET 42 Ca 0.04 -0.08 0.08 0.00 -3.44 0.00 0.00 59.70 56.30 1arq h MET 42 Cb 0.99 -0.14 -0.10 0.00 -0.55 0.00 0.00 31.60 31.80 1arq h MET 42 CO 0.09 0.56 -0.42 1.49 0.14 0.00 0.00 176.91 178.77 1arq h GLU 43 N 0.70 -0.28 -0.69 0.39 4.81 -0.89 0.15 114.58 118.77 1arq h GLU 43 Ca 0.18 0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.41 1arq h GLU 43 Cb 0.04 0.06 -0.03 0.00 0.63 0.00 0.00 28.75 29.45 1arq h GLU 43 CO -0.03 -0.19 0.35 0.66 -0.73 0.00 0.00 179.01 179.07 1arq h SER 44 N -0.29 0.87 -0.10 1.04 4.64 -1.29 -2.13 113.55 116.28 1arq h SER 44 Ca 0.15 -0.08 -0.03 0.00 -0.47 0.00 0.00 61.79 61.36 1arq h SER 44 Cb 0.57 -0.22 -0.01 0.00 -0.31 0.00 0.00 62.40 62.43 1arq h SER 44 CO -0.61 0.72 -0.02 -0.26 -0.87 0.00 0.00 176.83 175.80 1arq h PHE 45 N 0.97 0.32 -0.04 4.77 0.04 -0.69 -2.00 116.94 120.32 1arq h PHE 45 Ca 0.24 -0.02 -0.15 0.00 2.80 0.00 0.00 57.97 60.84 1arq h PHE 45 Cb 0.06 -0.10 -0.01 0.00 2.20 0.00 0.00 35.95 38.10 1arq h PHE 45 CO 0.01 0.34 -0.67 0.87 -0.60 0.00 0.00 178.31 178.26 1arq h LYS 46 N 0.31 0.17 -0.48 1.51 1.57 -0.09 -2.89 116.57 116.67 1arq h LYS 46 Ca 0.07 -0.13 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 1arq h LYS 46 Cb 0.24 0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.57 1arq h LYS 46 CO 0.01 0.77 0.00 1.63 -0.57 0.00 0.00 179.45 181.29 1arq n LYS 47 N -3.80 0.83 -3.16 3.15 5.02 -0.75 -4.85 118.16 114.60 1arq n LYS 47 Ca -0.02 0.00 -0.18 0.00 -2.02 0.00 0.00 58.31 56.08 1arq n LYS 47 Cb 0.66 -1.24 -0.01 0.00 -0.02 0.00 0.00 35.03 34.42 1arq n LYS 47 CO 0.00 0.00 0.00 -0.85 -0.52 0.00 0.00 177.40 176.03 1arq n GLU 48 N -0.16 -2.74 -0.97 1.97 -0.00 -1.09 -4.84 120.64 112.81 1arq n GLU 48 Ca 0.00 0.33 -0.30 0.00 -0.00 0.00 0.00 57.16 57.20 1arq n GLU 48 Cb 0.12 -4.96 -0.02 0.00 -0.00 0.00 0.00 31.44 26.58 1arq n GLU 48 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1arq n GLY 49 N -0.93 3.34 0.00 -1.84 0.00 -1.25 -3.60 105.19 100.91 1arq n GLY 49 Ca -0.02 -1.08 0.00 0.00 0.00 0.00 0.00 46.02 44.92 1arq n GLY 49 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1arq n ARG 50 N 4.61 0.00 -1.68 1.61 0.00 -1.26 -4.98 116.66 114.96 1arq n ARG 50 Ca 0.52 0.00 -0.49 0.00 -0.00 0.00 0.00 57.85 57.89 1arq n ARG 50 Cb 0.21 0.00 -0.05 0.00 0.00 0.00 0.00 32.46 32.62 1arq n ARG 50 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.63 176.74 1arq n ILE 51 N 0.00 0.57 0.00 5.15 -0.00 -1.24 -1.32 119.36 122.53 1arq n ILE 51 Ca 0.00 -0.11 0.00 0.00 -0.00 0.00 0.00 62.75 62.64 1arq n ILE 51 Cb 0.00 -1.88 0.00 0.00 -0.00 0.00 0.00 39.64 37.76 1arq n ILE 51 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 1arq n GLY 52 N 4.49 2.75 0.00 7.39 0.00 -1.26 -4.54 105.19 114.02 1arq n GLY 52 Ca 0.23 -0.74 0.00 0.00 0.00 0.00 0.00 46.02 45.51 1arq n GLY 52 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32