#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pyv s SER 2 N 0.00 -0.62 0.00 0.00 0.01 -1.26 -4.87 113.70 106.96 1pyv s SER 2 Ca 0.00 1.13 0.00 0.00 1.31 0.00 0.00 55.95 58.39 1pyv s SER 2 Cb 0.00 1.09 0.00 0.00 0.21 0.00 0.00 66.02 67.32 1pyv s SER 2 CO 0.00 -0.20 0.00 -1.14 0.41 0.00 0.00 173.24 172.31 1pyv n ARG 3 N 3.37 0.00 -0.09 12.44 0.63 -1.26 -4.21 116.66 127.55 1pyv n ARG 3 Ca -0.17 0.00 0.16 0.00 -0.92 0.00 0.00 57.85 56.92 1pyv n ARG 3 Cb 0.56 0.00 0.57 0.00 0.45 0.00 0.00 32.46 34.04 1pyv n ARG 3 CO 0.00 0.00 0.00 -0.09 -2.51 0.00 0.00 177.63 175.03 1pyv h ARG 4 N 0.00 0.26 -0.23 -0.14 2.43 -2.01 0.38 114.38 115.07 1pyv h ARG 4 Ca 0.00 -0.02 -0.08 0.00 -0.81 0.00 0.00 59.98 59.08 1pyv h ARG 4 Cb 0.00 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.48 1pyv h ARG 4 CO 0.00 0.17 -0.19 1.25 -1.51 0.00 0.00 179.97 179.69 1pyv h LEU 5 N 0.27 0.40 -1.78 3.80 5.85 -1.90 -1.40 115.31 120.55 1pyv h LEU 5 Ca 0.31 -0.11 -0.03 0.00 0.84 0.00 0.00 57.88 58.88 1pyv h LEU 5 Cb 0.83 -0.11 -0.00 0.00 0.37 0.00 0.00 40.66 41.74 1pyv h LEU 5 CO -0.07 0.61 -0.16 0.25 -0.34 0.00 0.00 178.44 178.73 1pyv h LEU 6 N 0.37 0.00 0.35 2.25 5.85 -0.58 -1.08 115.31 122.47 1pyv h LEU 6 Ca 0.06 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.77 1pyv h LEU 6 Cb 0.55 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.58 1pyv h LEU 6 CO 0.04 0.16 -0.17 0.00 -0.34 0.00 0.00 178.44 178.13 1pyv h ALA 7 N 1.84 -0.57 -0.70 1.25 0.00 -1.00 -2.46 119.26 117.63 1pyv h ALA 7 Ca -0.00 -0.10 0.20 0.00 0.00 0.00 0.00 54.91 55.01 1pyv h ALA 7 Cb 0.36 0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.30 1pyv h ALA 7 CO 0.02 -0.54 0.56 1.03 0.00 0.00 0.00 179.25 180.32 1pyv h SER 8 N -0.89 0.00 0.31 0.00 0.87 -1.37 1.18 113.55 113.65 1pyv h SER 8 Ca -0.05 0.00 -0.11 0.00 -1.23 0.00 0.00 61.79 60.40 1pyv h SER 8 Cb 0.36 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.30 1pyv h SER 8 CO 0.08 0.00 -0.47 -0.07 -0.53 0.00 0.00 176.83 175.84 1pyv h LEU 9 N 0.00 0.20 0.09 2.23 -0.00 -1.15 -1.30 115.31 115.38 1pyv h LEU 9 Ca 0.33 -0.09 -0.15 0.00 -0.00 0.00 0.00 57.88 57.96 1pyv h LEU 9 Cb 1.44 -0.06 0.01 0.00 -0.00 0.00 0.00 40.66 42.05 1pyv h LEU 9 CO -0.00 0.65 -0.72 0.25 -0.00 0.00 0.00 178.44 178.62 1pyv h LEU 10 N 0.15 0.31 -2.69 1.67 6.46 0.17 -2.82 115.31 118.57 1pyv h LEU 10 Ca 0.01 -0.93 0.00 0.00 -0.12 0.00 0.00 57.88 56.84 1pyv h LEU 10 Cb 0.89 -0.10 0.00 0.00 -0.73 0.00 0.00 40.66 40.72 1pyv h LEU 10 CO 0.07 1.33 0.00 0.03 -0.62 0.00 0.00 178.44 179.25 1pyv h ARG 11 N -0.56 0.00 0.18 1.25 3.08 -0.47 0.56 114.38 118.43 1pyv h ARG 11 Ca -0.14 0.00 -0.34 0.00 0.07 0.00 0.00 59.98 59.57 1pyv h ARG 11 Cb 1.47 0.00 0.01 0.00 0.08 0.00 0.00 29.97 31.54 1pyv h ARG 11 CO 0.08 0.00 -1.68 0.37 -1.07 0.00 0.00 179.97 177.67 1pyv h GLN 12 N 0.00 0.39 0.00 0.04 5.75 -1.26 -2.71 115.11 117.32 1pyv h GLN 12 Ca 0.00 -0.67 -0.08 0.00 -0.15 0.00 0.00 58.65 57.76 1pyv h GLN 12 Cb 0.03 0.25 -0.01 0.00 1.07 0.00 0.00 27.48 28.81 1pyv h GLN 12 CO 0.00 1.32 -0.37 1.03 -2.65 0.00 0.00 178.83 178.15 1pyv h SER 13 N 0.05 0.00 0.17 -0.69 0.87 -0.93 -2.44 113.55 110.58 1pyv h SER 13 Ca -0.33 0.00 -0.28 0.00 -1.23 0.00 0.00 61.79 59.95 1pyv h SER 13 Cb 2.06 0.00 0.02 0.00 -0.44 0.00 0.00 62.40 64.04 1pyv h SER 13 CO 0.17 0.37 -1.18 0.00 -0.53 0.00 0.00 176.83 175.67 1pyv h ALA 14 N 1.63 0.07 0.00 6.23 0.00 -0.03 -1.99 119.26 125.16 1pyv h ALA 14 Ca -0.00 -0.76 0.00 0.00 0.00 0.00 0.00 54.91 54.15 1pyv h ALA 14 Cb 1.15 0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1pyv h ALA 14 CO 0.05 0.72 0.00 0.00 0.00 0.00 0.00 179.25 180.02 1pyv n GLN 15 N -3.78 0.57 -0.04 0.00 10.64 -1.02 -2.91 117.38 120.84 1pyv n GLN 15 Ca -0.12 0.00 0.02 0.00 -1.83 0.00 0.00 57.00 55.07 1pyv n GLN 15 Cb 0.95 -1.50 -0.15 0.00 -0.86 0.00 0.00 30.24 28.68 1pyv n GLN 15 CO 0.00 0.00 0.00 -2.13 -1.83 0.00 0.00 177.06 173.10 1pyv n ARG 16 N -1.22 0.74 0.00 2.61 3.00 -0.92 -5.01 116.66 115.87 1pyv n ARG 16 Ca 0.17 -0.11 0.00 0.00 -0.00 0.00 0.00 57.85 57.90 1pyv n ARG 16 Cb 0.21 -1.48 0.00 0.00 0.00 0.00 0.00 32.46 31.18 1pyv n ARG 16 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1pyv n GLY 17 N 1.55 2.12 0.00 5.14 0.00 -0.76 -3.97 105.19 109.27 1pyv n GLY 17 Ca -0.15 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.54 1pyv n GLY 17 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pyv n GLY 18 N 0.00 -0.17 0.47 -0.02 0.00 -1.26 -4.90 105.19 99.31 1pyv n GLY 18 Ca 0.00 0.05 -0.17 0.00 0.00 0.00 0.00 46.02 45.90 1pyv n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pyv n GLY 19 N 0.00 -0.29 0.22 -0.02 0.00 -1.25 -3.00 105.19 100.85 1pyv n GLY 19 Ca 0.00 -0.10 0.15 0.00 0.00 0.00 0.00 46.02 46.08 1pyv n GLY 19 CO 0.00 0.00 0.00 0.17 0.00 0.00 0.00 173.32 173.49 1pyv h LEU 20 N -0.62 0.00 -2.59 0.99 -0.00 -1.95 0.67 115.31 111.81 1pyv h LEU 20 Ca -0.40 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.48 1pyv h LEU 20 Cb 1.32 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.98 1pyv h LEU 20 CO -0.24 0.00 -0.06 0.00 -0.00 0.00 0.00 178.44 178.14 1pyv n ILE 21 N -2.58 1.04 -0.31 0.15 3.06 -1.26 -4.65 119.36 114.81 1pyv n ILE 21 Ca -0.01 -1.17 0.06 0.00 -2.50 0.00 0.00 62.75 59.13 1pyv n ILE 21 Cb 0.09 0.32 0.14 0.00 0.54 0.00 0.00 39.64 40.73 1pyv n ILE 21 CO 0.00 0.00 0.00 -1.28 -2.50 0.00 0.00 176.55 172.77 1pyv h SER 22 N 0.00 -0.73 0.00 9.51 0.87 -0.76 -3.39 113.55 119.05 1pyv h SER 22 Ca 0.00 0.26 0.00 0.00 -1.23 0.00 0.00 61.79 60.82 1pyv h SER 22 Cb 0.85 0.52 0.00 0.00 -0.44 0.00 0.00 62.40 63.33 1pyv h SER 22 CO 0.00 -0.29 0.00 -2.11 -0.53 0.00 0.00 176.83 173.90 1pyv n ARG 23 N -5.54 0.00 0.00 2.24 1.85 -1.26 -4.98 116.66 108.97 1pyv n ARG 23 Ca 0.15 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 57.00 1pyv n ARG 23 Cb 0.49 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.90 1pyv n ARG 23 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 177.63 178.07 1pyv n SER 24 N 0.00 0.00 0.03 2.89 2.88 -1.26 -3.61 113.62 114.55 1pyv n SER 24 Ca 0.00 0.39 -0.06 0.00 -1.33 0.00 0.00 58.87 57.87 1pyv n SER 24 Cb 0.00 -0.38 -0.11 0.00 -0.75 0.00 0.00 64.21 62.97 1pyv n SER 24 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 1pyv h LEU 25 N 0.00 0.00 -2.39 2.46 3.38 -1.89 -3.26 115.31 113.60 1pyv h LEU 25 Ca 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1pyv h LEU 25 Cb 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 1pyv h LEU 25 CO 0.00 0.91 -0.03 1.23 0.09 0.00 0.00 178.44 180.64 1pyv h GLY 26 N 3.31 0.00 1.45 0.83 0.00 -1.86 0.18 103.07 106.98 1pyv h GLY 26 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.20 1pyv h GLY 26 CO 0.10 0.00 0.28 -0.57 0.00 0.00 0.00 176.54 176.34 1pyv h ASN 27 N 0.00 0.00 0.00 0.19 -1.24 -1.62 -3.32 115.58 109.59 1pyv h ASN 27 Ca -0.00 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.01 1pyv h ASN 27 Cb 0.15 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.20 1pyv h ASN 27 CO 0.00 0.00 0.00 -1.20 -1.29 0.00 0.00 177.43 174.94 1pyv n SER 28 N -2.94 0.00 -0.23 1.15 7.64 -0.50 -5.03 113.62 113.71 1pyv n SER 28 Ca -0.02 0.00 -0.01 0.00 1.01 0.00 0.00 58.87 59.85 1pyv n SER 28 Cb 0.33 0.00 0.06 0.00 -1.01 0.00 0.00 64.21 63.58 1pyv n SER 28 CO 0.00 0.00 0.00 0.40 -3.01 0.00 0.00 175.04 172.43 1pyv h ILE 29 N 0.00 0.25 0.00 0.44 1.08 -0.80 0.99 117.51 119.47 1pyv h ILE 29 Ca 0.00 0.00 -0.31 0.00 -0.39 0.00 0.00 64.86 64.16 1pyv h ILE 29 Cb 0.00 0.25 -0.02 0.00 -3.07 0.00 0.00 36.82 33.98 1pyv h ILE 29 CO 0.00 0.00 1.38 -0.81 -0.69 0.00 0.00 178.15 178.03 1pyv n PRO 30 N -5.46 2.10 0.00 2.37 -0.04 -1.26 -1.77 135.00 130.93 1pyv n PRO 30 Ca 0.08 -1.23 0.00 0.00 -0.04 0.00 0.00 63.50 62.31 1pyv n PRO 30 Cb 0.36 -2.21 0.00 0.00 -0.04 0.00 0.00 33.50 31.61 1pyv n PRO 30 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 1pyv n LYS 31 N 3.24 0.00 -0.22 0.54 3.00 -0.41 -4.96 118.16 119.35 1pyv n LYS 31 Ca 0.45 0.00 -0.09 0.00 -0.00 0.00 0.00 58.31 58.67 1pyv n LYS 31 Cb 0.45 0.00 0.03 0.00 0.00 0.00 0.00 35.03 35.51 1pyv n LYS 31 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.40 178.17 1pyv h SER 32 N 0.00 1.01 -1.98 3.14 0.02 0.93 -2.48 113.55 114.19 1pyv h SER 32 Ca 0.00 -0.28 0.58 0.00 -0.84 0.00 0.00 61.79 61.25 1pyv h SER 32 Cb 0.00 -0.27 -0.08 0.00 0.14 0.00 0.00 62.40 62.19 1pyv h SER 32 CO 0.00 1.04 1.43 0.00 -1.14 0.00 0.00 176.83 178.15 1pyv n ALA 33 N -2.46 1.90 -0.85 3.77 0.00 -0.73 -0.28 120.51 121.86 1pyv n ALA 33 Ca 0.03 0.66 -0.26 0.00 0.00 0.00 0.00 53.44 53.87 1pyv n ALA 33 Cb 0.31 -1.14 -0.02 0.00 0.00 0.00 0.00 19.45 18.59 1pyv n ALA 33 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1pyv n SER 34 N -3.93 4.83 -2.73 0.00 2.88 -0.94 -4.27 113.62 109.45 1pyv n SER 34 Ca 0.45 -2.40 -0.01 0.00 -1.33 0.00 0.00 58.87 55.58 1pyv n SER 34 Cb 2.02 -1.14 0.01 0.00 -0.75 0.00 0.00 64.21 64.35 1pyv n SER 34 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1pyv n ARG 35 N 4.59 -1.12 0.06 -1.46 3.00 -0.93 -4.93 116.66 115.87 1pyv n ARG 35 Ca 0.48 1.20 -0.07 0.00 -0.01 0.00 0.00 57.85 59.45 1pyv n ARG 35 Cb 0.18 -4.83 0.09 0.00 0.00 0.00 0.00 32.46 27.89 1pyv n ARG 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1pyv h ALA 36 N 0.31 0.76 0.00 7.54 0.00 -0.82 -3.50 119.26 123.55 1pyv h ALA 36 Ca -0.06 -0.55 0.00 0.00 0.00 0.00 0.00 54.91 54.30 1pyv h ALA 36 Cb 1.03 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.74 1pyv h ALA 36 CO 0.25 0.72 0.00 0.45 0.00 0.00 0.00 179.25 180.67 1pyv n SER 37 N -3.89 0.00 -2.41 0.00 2.88 -1.26 -4.94 113.62 104.00 1pyv n SER 37 Ca -0.03 0.00 -0.16 0.00 -1.33 0.00 0.00 58.87 57.35 1pyv n SER 37 Cb 0.63 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 64.08 1pyv n SER 37 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1pyv n SER 38 N 0.63 -4.88 -0.81 -3.46 2.88 -1.26 -3.51 113.62 103.21 1pyv n SER 38 Ca 0.00 0.10 0.00 0.00 -1.33 0.00 0.00 58.87 57.64 1pyv n SER 38 Cb 0.00 -4.10 0.00 0.00 -0.75 0.00 0.00 64.21 59.36 1pyv n SER 38 CO 0.00 0.00 0.00 -1.14 -1.23 0.00 0.00 175.04 172.67 1pyv n ARG 39 N -2.90 0.00 0.00 -1.46 3.00 -1.26 -5.03 116.66 109.01 1pyv n ARG 39 Ca -0.20 0.27 0.00 0.00 -0.00 0.00 0.00 57.85 57.92 1pyv n ARG 39 Cb 0.65 -0.81 0.00 0.00 0.00 0.00 0.00 32.46 32.30 1pyv n ARG 39 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1pyv n ALA 40 N -0.38 1.18 -0.08 5.13 0.00 -1.23 -4.59 120.51 120.53 1pyv n ALA 40 Ca 0.00 -0.47 -0.14 0.00 0.00 0.00 0.00 53.44 52.83 1pyv n ALA 40 Cb 0.11 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.46 1pyv n ALA 40 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1pyv h SER 41 N 0.00 0.00 0.50 0.00 0.87 -1.96 0.12 113.55 113.08 1pyv h SER 41 Ca 0.00 -0.67 -0.19 0.00 -1.23 0.00 0.00 61.79 59.71 1pyv h SER 41 Cb 0.60 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.55 1pyv h SER 41 CO 0.00 1.08 -0.81 1.55 -0.53 0.00 0.00 176.83 178.12 1pyv h PRO 42 N -1.00 0.23 0.11 2.24 0.13 -2.02 -3.24 132.00 128.44 1pyv h PRO 42 Ca -0.11 -0.22 -0.31 0.00 -0.87 0.00 0.00 66.00 64.48 1pyv h PRO 42 Cb 0.95 0.06 -0.01 0.00 0.13 0.00 0.00 31.00 32.13 1pyv h PRO 42 CO -0.07 0.92 -1.62 0.87 -0.23 0.00 0.00 178.00 177.88 1pyv h LYS 43 N 0.14 0.23 -0.90 0.86 1.57 -1.81 -3.34 116.57 113.31 1pyv h LYS 43 Ca -0.04 -0.39 0.25 0.00 -1.87 0.00 0.00 60.65 58.60 1pyv h LYS 43 Cb 1.41 0.14 -0.14 0.00 0.08 0.00 0.00 32.23 33.72 1pyv h LYS 43 CO 0.13 1.06 0.32 0.78 -0.57 0.00 0.00 179.45 181.17 1pyv h GLY 44 N 1.78 1.51 0.50 3.86 0.00 -0.79 0.84 103.07 110.77 1pyv h GLY 44 Ca -0.27 -0.09 0.13 0.00 0.00 0.00 0.00 47.33 47.10 1pyv h GLY 44 CO 0.14 -0.38 0.61 -2.75 0.00 0.00 0.00 176.54 174.16 1pyv h PHE 45 N 0.25 1.03 0.00 5.60 3.57 -1.68 1.80 116.94 127.51 1pyv h PHE 45 Ca 0.59 0.03 -0.08 0.00 3.53 0.00 0.00 57.97 62.04 1pyv h PHE 45 Cb 1.21 -0.33 -0.01 0.00 2.79 0.00 0.00 35.95 39.61 1pyv h PHE 45 CO -0.20 0.40 -0.79 1.25 -2.23 0.00 0.00 178.31 176.73 1pyv h LEU 46 N 0.89 0.00 0.00 0.59 5.85 0.17 -2.96 115.31 119.85 1pyv h LEU 46 Ca 0.48 0.00 -0.16 0.00 0.84 0.00 0.00 57.88 59.04 1pyv h LEU 46 Cb 0.57 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.57 1pyv h LEU 46 CO -0.24 0.31 -0.76 -0.07 -0.34 0.00 0.00 178.44 177.34 1pyv h LEU 47 N 0.00 0.00 -0.13 2.25 -0.00 0.29 -2.95 115.31 114.77 1pyv h LEU 47 Ca -0.05 0.00 -0.19 0.00 -0.00 0.00 0.00 57.88 57.64 1pyv h LEU 47 Cb 1.28 0.00 -0.03 0.00 -0.00 0.00 0.00 40.66 41.91 1pyv h LEU 47 CO 0.03 0.75 -0.91 -1.13 -0.00 0.00 0.00 178.44 177.18 1pyv h ASN 48 N 0.00 0.00 1.35 -0.43 -1.24 0.26 -3.08 115.58 112.44 1pyv h ASN 48 Ca -0.01 0.00 -0.02 0.00 0.71 0.00 0.00 56.30 56.98 1pyv h ASN 48 Cb 1.58 0.00 -0.00 0.00 0.73 0.00 0.00 38.32 40.62 1pyv h ASN 48 CO 0.10 0.91 -0.10 0.08 -1.29 0.00 0.00 177.43 177.13 1pyv h ARG 49 N 0.00 0.00 0.00 6.67 -0.00 -1.49 -2.71 114.38 116.85 1pyv h ARG 49 Ca -0.01 0.00 -0.13 0.00 -0.00 0.00 0.00 59.98 59.84 1pyv h ARG 49 Cb 1.64 0.00 -0.02 0.00 -0.00 0.00 0.00 29.97 31.59 1pyv h ARG 49 CO 0.12 0.10 -0.62 0.00 -0.00 0.00 0.00 179.97 179.57 1pyv h ALA 50 N 1.90 0.84 0.26 0.08 0.00 -1.42 -2.82 119.26 118.10 1pyv h ALA 50 Ca -0.00 -0.56 -0.01 0.00 0.00 0.00 0.00 54.91 54.33 1pyv h ALA 50 Cb 0.80 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.49 1pyv h ALA 50 CO 0.01 0.77 -0.12 0.28 0.00 0.00 0.00 179.25 180.19 1pyv h VAL 51 N 0.00 0.01 -1.08 0.00 2.07 -1.50 -3.26 116.25 112.49 1pyv h VAL 51 Ca -0.01 -0.75 0.35 0.00 0.82 0.00 0.00 66.70 67.11 1pyv h VAL 51 Cb 1.19 0.02 -0.14 0.00 -1.52 0.00 0.00 31.29 30.84 1pyv h VAL 51 CO 0.08 0.00 0.64 0.06 0.02 0.00 0.00 177.57 178.38 1pyv h GLN 52 N -1.09 0.25 -0.01 1.57 3.07 -1.58 -3.52 115.11 113.80 1pyv h GLN 52 Ca -0.04 -0.01 0.00 0.00 0.09 0.00 0.00 58.65 58.69 1pyv h GLN 52 Cb 0.27 -0.06 0.00 0.00 0.08 0.00 0.00 27.48 27.77 1pyv h GLN 52 CO 0.06 0.16 0.00 0.66 0.09 0.00 0.00 178.83 179.80