#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 4.83 0.00 0.00 1.04 -1.26 -4.17 113.70 114.15 1pyv s SER 2 Ca 0.00 -1.01 0.00 0.00 0.48 0.00 0.00 55.95 55.42 1pyv s SER 2 Cb 0.00 0.00 0.00 0.00 0.10 0.00 0.00 66.02 66.12 1pyv s SER 2 CO 0.00 -0.94 0.00 -1.14 0.98 0.00 0.00 173.24 172.14 1pyv n ARG 3 N -1.72 0.00 0.14 4.02 0.00 -1.26 -4.23 116.66 113.61 1pyv n ARG 3 Ca 0.03 0.00 -0.01 0.00 -0.00 0.00 0.00 57.85 57.87 1pyv n ARG 3 Cb 0.63 0.00 0.22 0.00 0.00 0.00 0.00 32.46 33.31 1pyv n ARG 3 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1pyv h ARG 4 N 0.00 0.06 0.19 -0.14 2.47 -2.00 -2.89 114.38 112.07 1pyv h ARG 4 Ca 0.00 -0.03 -0.01 0.00 -1.26 0.00 0.00 59.98 58.68 1pyv h ARG 4 Cb 0.00 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.32 1pyv h ARG 4 CO 0.00 0.57 -0.09 1.25 0.56 0.00 0.00 179.97 182.26 1pyv h LEU 5 N 0.05 -0.21 -1.93 3.04 7.12 -1.74 -0.28 115.31 121.35 1pyv h LEU 5 Ca -0.00 0.01 0.40 0.00 0.13 0.00 0.00 57.88 58.41 1pyv h LEU 5 Cb 0.95 0.06 -0.05 0.00 -0.53 0.00 0.00 40.66 41.08 1pyv h LEU 5 CO 0.07 -0.15 1.03 0.25 -0.13 0.00 0.00 178.44 179.52 1pyv h LEU 6 N -0.26 0.00 0.41 2.25 6.46 -1.88 0.17 115.31 122.46 1pyv h LEU 6 Ca -0.03 0.00 -0.02 0.00 -0.12 0.00 0.00 57.88 57.71 1pyv h LEU 6 Cb 0.19 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.13 1pyv h LEU 6 CO 0.04 0.00 -0.20 0.00 -0.62 0.00 0.00 178.44 177.66 1pyv h ALA 7 N 1.23 -0.86 -1.02 1.25 0.00 -1.21 0.15 119.26 118.80 1pyv h ALA 7 Ca 0.65 -0.12 0.29 0.00 0.00 0.00 0.00 54.91 55.73 1pyv h ALA 7 Cb 2.71 0.21 -0.05 0.00 0.00 0.00 0.00 17.79 20.66 1pyv h ALA 7 CO -0.01 -0.82 0.72 1.03 0.00 0.00 0.00 179.25 180.17 1pyv h SER 8 N -0.72 0.09 0.48 0.00 0.87 0.10 1.44 113.55 115.81 1pyv h SER 8 Ca -0.06 0.01 -0.18 0.00 -1.23 0.00 0.00 61.79 60.34 1pyv h SER 8 Cb 0.43 -0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.37 1pyv h SER 8 CO 0.09 0.02 -0.77 0.25 -0.53 0.00 0.00 176.83 175.90 1pyv h LEU 9 N 0.08 0.28 -0.07 2.23 7.12 -0.84 -2.26 115.31 121.85 1pyv h LEU 9 Ca 0.50 -0.20 -0.22 0.00 0.13 0.00 0.00 57.88 58.09 1pyv h LEU 9 Cb 1.85 -0.08 0.01 0.00 -0.53 0.00 0.00 40.66 41.91 1pyv h LEU 9 CO -0.06 0.94 -0.81 0.17 -0.13 0.00 0.00 178.44 178.55 1pyv h LEU 10 N 0.14 0.84 -2.02 2.25 8.10 0.46 -2.67 115.31 122.42 1pyv h LEU 10 Ca -0.03 -0.68 -0.01 0.00 0.11 0.00 0.00 57.88 57.27 1pyv h LEU 10 Cb 1.35 -0.25 -0.00 0.00 -0.44 0.00 0.00 40.66 41.32 1pyv h LEU 10 CO 0.12 1.40 -0.04 0.03 -4.11 0.00 0.00 178.44 175.84 1pyv h ARG 11 N 0.36 0.00 0.09 0.17 3.08 -0.09 0.27 114.38 118.26 1pyv h ARG 11 Ca -0.08 0.00 -0.20 0.00 0.07 0.00 0.00 59.98 59.77 1pyv h ARG 11 Cb 1.46 0.00 0.02 0.00 0.08 0.00 0.00 29.97 31.53 1pyv h ARG 11 CO 0.16 0.04 -0.84 1.96 -1.07 0.00 0.00 179.97 180.22 1pyv h GLN 12 N 0.00 0.40 -0.00 0.04 1.08 -1.25 -2.13 115.11 113.25 1pyv h GLN 12 Ca -0.00 -0.56 -0.17 0.00 -1.45 0.00 0.00 58.65 56.47 1pyv h GLN 12 Cb 0.33 0.19 -0.02 0.00 -0.05 0.00 0.00 27.48 27.92 1pyv h GLN 12 CO 0.01 1.23 -0.79 1.03 -0.95 0.00 0.00 178.83 179.36 1pyv h SER 13 N -0.15 0.04 -0.23 1.46 0.87 -1.10 0.63 113.55 115.06 1pyv h SER 13 Ca -0.13 -0.03 -0.07 0.00 -1.23 0.00 0.00 61.79 60.33 1pyv h SER 13 Cb 1.60 -0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 63.54 1pyv h SER 13 CO 0.16 0.80 -0.13 0.00 -0.53 0.00 0.00 176.83 177.14 1pyv h ALA 14 N 1.19 0.33 -0.01 6.23 0.00 -0.56 -3.04 119.26 123.41 1pyv h ALA 14 Ca -0.01 -0.31 -0.16 0.00 0.00 0.00 0.00 54.91 54.42 1pyv h ALA 14 Cb 1.38 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 19.08 1pyv h ALA 14 CO 0.10 0.20 -0.75 -0.56 0.00 0.00 0.00 179.25 178.24 1pyv h GLN 15 N 0.21 0.06 -6.17 0.00 3.07 -1.37 -3.49 115.11 107.42 1pyv h GLN 15 Ca 0.05 -0.05 -0.18 0.00 0.09 0.00 0.00 58.65 58.56 1pyv h GLN 15 Cb 0.64 0.01 0.01 0.00 0.08 0.00 0.00 27.48 28.22 1pyv h GLN 15 CO 0.04 0.78 -1.04 -2.13 0.09 0.00 0.00 178.83 176.56 1pyv n ARG 16 N -3.68 -0.98 -2.48 0.06 0.00 0.21 -4.89 116.66 104.90 1pyv n ARG 16 Ca -0.01 1.01 -0.28 0.00 -0.00 0.00 0.00 57.85 58.56 1pyv n ARG 16 Cb 0.72 -1.37 -0.00 0.00 0.00 0.00 0.00 32.46 31.82 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 0.57 5.93 0.00 5.14 0.00 -1.26 -4.85 105.19 110.73 1pyv n GLY 17 Ca -0.04 -2.75 0.00 0.00 0.00 0.00 0.00 46.02 43.23 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 -0.46 0.96 0.25 -0.02 0.00 -1.26 -5.00 105.19 99.66 1pyv n GLY 18 Ca 0.40 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.39 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 0.71 0.00 -0.02 0.00 -1.26 -5.00 105.19 99.63 1pyv n GLY 19 Ca 0.00 -0.67 0.10 0.00 0.00 0.00 0.00 46.02 45.44 1pyv n GLY 19 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1pyv n LEU 20 N -0.20 0.89 -0.15 0.99 -0.00 -1.26 -3.23 117.00 114.04 1pyv n LEU 20 Ca 0.00 -0.46 0.02 0.00 -0.00 0.00 0.00 56.01 55.57 1pyv n LEU 20 Cb 0.08 0.00 0.01 0.00 -0.00 0.00 0.00 43.42 43.52 1pyv n LEU 20 CO 0.00 0.22 0.26 0.00 -0.00 0.00 0.00 177.39 177.87 1pyv n ILE 21 N -1.53 0.00 -0.02 1.47 0.13 -1.26 -3.05 119.36 115.09 1pyv n ILE 21 Ca 0.03 -0.48 0.03 0.00 -1.10 0.00 0.00 62.75 61.23 1pyv n ILE 21 Cb 0.33 1.08 -0.09 0.00 -0.84 0.00 0.00 39.64 40.13 1pyv n ILE 21 CO 0.00 0.00 0.00 -1.20 2.80 0.00 0.00 176.55 178.15 1pyv n SER 22 N 0.01 2.34 -0.11 9.51 7.64 -1.26 -3.07 113.62 128.68 1pyv n SER 22 Ca 0.02 0.00 -0.21 0.00 1.01 0.00 0.00 58.87 59.69 1pyv n SER 22 Cb 0.11 1.32 -0.09 0.00 -1.01 0.00 0.00 64.21 64.54 1pyv n SER 22 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1pyv n ARG 23 N -2.04 0.50 0.00 1.43 5.12 -1.20 -4.02 116.66 116.45 1pyv n ARG 23 Ca -0.06 0.18 0.00 0.00 -1.93 0.00 0.00 57.85 56.04 1pyv n ARG 23 Cb 0.45 -1.34 0.00 0.00 -1.16 0.00 0.00 32.46 30.41 1pyv n ARG 23 CO 0.00 0.00 0.00 0.43 -1.93 0.00 0.00 177.63 176.13 1pyv n SER 24 N -3.73 0.00 -2.13 0.55 7.64 -1.24 -3.86 113.62 110.85 1pyv n SER 24 Ca -0.42 0.27 -0.17 0.00 1.01 0.00 0.00 58.87 59.56 1pyv n SER 24 Cb 0.84 -0.35 -0.11 0.00 -1.01 0.00 0.00 64.21 63.58 1pyv n SER 24 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1pyv n LEU 25 N -1.71 5.73 0.11 -3.43 7.99 -1.17 -3.90 117.00 120.62 1pyv n LEU 25 Ca 0.00 -3.44 0.00 0.00 -0.01 0.00 0.00 56.01 52.56 1pyv n LEU 25 Cb 0.00 -1.32 0.00 0.00 -0.11 0.00 0.00 43.42 41.99 1pyv n LEU 25 CO 0.00 1.64 0.00 0.61 -1.51 0.00 0.00 177.39 178.13 1pyv n GLY 26 N 1.77 -0.26 0.35 -0.72 0.00 -1.17 -4.40 105.19 100.74 1pyv n GLY 26 Ca 0.41 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.59 1pyv n GLY 26 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 1pyv h ASN 27 N 0.00 0.00 -0.94 1.61 -1.24 -1.68 -1.96 115.58 111.37 1pyv h ASN 27 Ca 0.00 0.00 -0.35 0.00 0.71 0.00 0.00 56.30 56.66 1pyv h ASN 27 Cb 0.00 0.00 -0.33 0.00 0.73 0.00 0.00 38.32 38.72 1pyv h ASN 27 CO 0.00 0.00 -0.96 -1.20 -1.29 0.00 0.00 177.43 173.98 1pyv n SER 28 N -3.04 0.30 -0.29 1.15 7.64 -1.26 -4.96 113.62 113.15 1pyv n SER 28 Ca -0.00 -2.82 0.03 0.00 1.01 0.00 0.00 58.87 57.08 1pyv n SER 28 Cb 0.44 -0.02 0.10 0.00 -1.01 0.00 0.00 64.21 63.72 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 2.35 0.17 0.11 0.44 2.04 -1.56 2.14 117.51 123.21 1pyv h ILE 29 Ca -0.09 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.77 1pyv h ILE 29 Cb 1.15 0.17 0.00 0.00 -0.74 0.00 0.00 36.82 37.40 1pyv h ILE 29 CO 0.36 0.00 -0.05 1.55 0.00 0.00 0.00 178.15 180.00 1pyv h PRO 30 N -0.00 -0.14 -0.61 2.37 0.13 -1.93 -1.10 132.00 130.72 1pyv h PRO 30 Ca 0.39 0.01 0.08 0.00 -0.87 0.00 0.00 66.00 65.61 1pyv h PRO 30 Cb 0.60 0.03 -0.10 0.00 0.13 0.00 0.00 31.00 31.66 1pyv h PRO 30 CO -0.85 -0.10 -0.50 -0.22 -0.23 0.00 0.00 178.00 176.11 1pyv h LYS 31 N -0.47 -0.23 -0.83 0.86 3.11 -1.89 0.73 116.57 117.85 1pyv h LYS 31 Ca -0.02 0.02 0.08 0.00 -2.81 0.00 0.00 60.65 57.92 1pyv h LYS 31 Cb 0.12 0.05 -0.06 0.00 -1.00 0.00 0.00 32.23 31.34 1pyv h LYS 31 CO 0.03 -0.15 0.54 0.66 -2.81 0.00 0.00 179.45 177.71 1pyv h SER 32 N -0.24 0.76 0.31 4.20 4.64 0.34 0.67 113.55 124.23 1pyv h SER 32 Ca 0.15 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.48 1pyv h SER 32 Cb 0.55 -0.15 0.00 0.00 -0.31 0.00 0.00 62.40 62.49 1pyv h SER 32 CO -0.71 0.47 0.00 0.00 -0.87 0.00 0.00 176.83 175.72 1pyv n ALA 33 N -2.42 1.38 1.01 5.18 0.00 0.23 0.16 120.51 126.05 1pyv n ALA 33 Ca 0.13 0.01 0.11 0.00 0.00 0.00 0.00 53.44 53.68 1pyv n ALA 33 Cb 0.26 -1.18 -0.04 0.00 0.00 0.00 0.00 19.45 18.50 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 -1.66 1.40 0.00 0.00 2.88 0.23 -4.18 113.62 112.30 1pyv n SER 34 Ca 0.02 -1.17 0.00 0.00 -1.33 0.00 0.00 58.87 56.38 1pyv n SER 34 Cb 0.11 0.72 0.00 0.00 -0.75 0.00 0.00 64.21 64.29 1pyv n SER 34 CO 0.00 0.00 0.00 -2.11 -1.23 0.00 0.00 175.04 171.70 1pyv n ARG 35 N -0.86 0.06 0.00 -1.46 -4.01 0.67 -4.94 116.66 106.12 1pyv n ARG 35 Ca 0.07 -0.52 0.00 0.00 -1.04 0.00 0.00 57.85 56.36 1pyv n ARG 35 Cb 0.39 -0.80 0.00 0.00 -3.04 0.00 0.00 32.46 29.01 1pyv n ARG 35 CO 0.00 0.00 0.00 0.00 -3.04 0.00 0.00 177.63 174.59 1pyv n ALA 36 N -0.08 0.00 -1.02 2.89 0.00 0.42 -5.05 120.51 117.66 1pyv n ALA 36 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1pyv n ALA 36 Cb 0.17 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.62 1pyv n ALA 36 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1pyv n SER 37 N 0.00 -5.63 0.00 0.00 2.88 -1.26 -4.68 113.62 104.92 1pyv n SER 37 Ca 0.00 1.08 0.00 0.00 -1.33 0.00 0.00 58.87 58.62 1pyv n SER 37 Cb 0.00 -2.88 0.00 0.00 -0.75 0.00 0.00 64.21 60.58 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 -1.78 0.00 -0.00 -3.46 2.88 -1.26 -3.95 113.62 106.05 1pyv n SER 38 Ca 0.00 0.00 -0.08 0.00 -1.33 0.00 0.00 58.87 57.46 1pyv n SER 38 Cb 0.20 0.00 -0.13 0.00 -0.75 0.00 0.00 64.21 63.53 1pyv n SER 38 CO 0.00 0.00 0.00 0.03 -1.23 0.00 0.00 175.04 173.84 1pyv h ARG 39 N 0.00 0.00 -0.48 -1.46 3.08 -2.01 -3.29 114.38 110.21 1pyv h ARG 39 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1pyv h ARG 39 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 1pyv h ARG 39 CO 0.00 0.55 0.00 0.00 -1.07 0.00 0.00 179.97 179.45 1pyv n ALA 40 N -2.51 2.43 -0.05 0.04 0.00 -1.25 -3.90 120.51 115.27 1pyv n ALA 40 Ca -0.14 -0.91 -0.15 0.00 0.00 0.00 0.00 53.44 52.25 1pyv n ALA 40 Cb 1.02 -0.96 -0.13 0.00 0.00 0.00 0.00 19.45 19.37 1pyv n ALA 40 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1pyv h SER 41 N 3.20 0.08 0.41 0.00 0.02 -1.85 0.62 113.55 116.04 1pyv h SER 41 Ca 0.00 -0.99 -0.20 0.00 -0.84 0.00 0.00 61.79 59.76 1pyv h SER 41 Cb 0.73 -0.03 -0.01 0.00 0.14 0.00 0.00 62.40 63.23 1pyv h SER 41 CO 0.00 1.07 -0.85 1.55 -1.14 0.00 0.00 176.83 177.46 1pyv h PRO 42 N -0.89 0.32 0.16 3.45 0.13 -1.75 -3.28 132.00 130.14 1pyv h PRO 42 Ca -0.03 -0.31 -0.34 0.00 -0.87 0.00 0.00 66.00 64.45 1pyv h PRO 42 Cb 1.11 0.08 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1pyv h PRO 42 CO 0.03 1.00 -1.70 0.87 -0.23 0.00 0.00 178.00 177.96 1pyv h LYS 43 N 0.19 0.33 -0.87 0.86 1.57 -1.70 -3.36 116.57 113.59 1pyv h LYS 43 Ca -0.05 -0.57 0.14 0.00 -1.87 0.00 0.00 60.65 58.30 1pyv h LYS 43 Cb 1.46 0.21 -0.14 0.00 0.08 0.00 0.00 32.23 33.83 1pyv h LYS 43 CO 0.14 1.22 -0.32 0.41 -0.57 0.00 0.00 179.45 180.34 1pyv n GLY 44 N 1.80 -1.73 0.31 3.86 0.00 0.22 0.15 105.19 109.80 1pyv n GLY 44 Ca -0.22 0.96 0.14 0.00 0.00 0.00 0.00 46.02 46.90 1pyv n GLY 44 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1pyv h PHE 45 N 0.00 0.28 -0.00 1.61 3.57 -1.71 1.94 116.94 122.63 1pyv h PHE 45 Ca 0.32 0.05 -0.14 0.00 3.53 0.00 0.00 57.97 61.74 1pyv h PHE 45 Cb 0.54 0.02 -0.02 0.00 2.79 0.00 0.00 35.95 39.28 1pyv h PHE 45 CO -0.74 -0.28 -0.66 1.25 -2.23 0.00 0.00 178.31 175.64 1pyv h LEU 46 N 0.14 0.02 -0.08 0.59 5.85 0.12 -2.99 115.31 118.96 1pyv h LEU 46 Ca 0.58 -0.01 -0.06 0.00 0.84 0.00 0.00 57.88 59.23 1pyv h LEU 46 Cb 1.20 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 42.23 1pyv h LEU 46 CO -0.72 0.67 -0.18 -0.07 -0.34 0.00 0.00 178.44 177.80 1pyv h LEU 47 N 0.01 0.30 -1.05 2.25 3.38 0.42 -0.96 115.31 119.66 1pyv h LEU 47 Ca -0.01 -0.58 0.22 0.00 0.09 0.00 0.00 57.88 57.60 1pyv h LEU 47 Cb 1.17 -0.09 -0.11 0.00 0.09 0.00 0.00 40.66 41.72 1pyv h LEU 47 CO 0.09 0.82 0.61 -1.13 0.09 0.00 0.00 178.44 178.92 1pyv h ASN 48 N -0.22 0.71 1.62 -0.43 -0.73 0.23 1.12 115.58 117.88 1pyv h ASN 48 Ca -0.00 0.11 -0.07 0.00 1.87 0.00 0.00 56.30 58.21 1pyv h ASN 48 Cb 0.78 -0.01 -0.01 0.00 0.27 0.00 0.00 38.32 39.35 1pyv h ASN 48 CO 0.04 0.19 -0.32 0.03 -0.37 0.00 0.00 177.43 177.01 1pyv h ARG 49 N 0.65 0.00 0.00 6.67 2.47 -1.43 -1.79 114.38 120.95 1pyv h ARG 49 Ca 0.60 0.00 -0.18 0.00 -1.26 0.00 0.00 59.98 59.15 1pyv h ARG 49 Cb 1.08 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 29.38 1pyv h ARG 49 CO -0.40 0.32 -0.83 0.00 0.56 0.00 0.00 179.97 179.62 1pyv h ALA 50 N 1.68 0.63 0.00 0.04 0.00 0.24 -3.09 119.26 118.76 1pyv h ALA 50 Ca -0.00 -0.74 -0.14 0.00 0.00 0.00 0.00 54.91 54.02 1pyv h ALA 50 Cb 1.21 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.86 1pyv h ALA 50 CO 0.04 1.01 -0.99 -0.24 0.00 0.00 0.00 179.25 179.07 1pyv h VAL 51 N 0.01 0.74 -0.41 0.00 3.04 0.14 -3.32 116.25 116.45 1pyv h VAL 51 Ca -0.01 -2.19 0.08 0.00 -1.01 0.00 0.00 66.70 63.56 1pyv h VAL 51 Cb 1.46 2.26 -0.07 0.00 -2.01 0.00 0.00 31.29 32.93 1pyv h VAL 51 CO 0.11 0.42 0.01 -0.61 -1.01 0.00 0.00 177.57 176.49 1pyv h GLN 52 N 0.00 0.12 0.00 4.17 4.15 -1.24 -3.51 115.11 118.80 1pyv h GLN 52 Ca -0.08 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.33 1pyv h GLN 52 Cb 1.51 -0.03 0.00 0.00 0.21 0.00 0.00 27.48 29.18 1pyv h GLN 52 CO 0.06 0.08 0.00 0.66 -1.93 0.00 0.00 178.83 177.70