#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 -0.02 0.00 0.00 0.01 -1.26 -5.07 113.70 107.37 1pyv s SER 2 Ca 0.00 0.02 0.00 0.00 1.31 0.00 0.00 55.95 57.28 1pyv s SER 2 Cb 0.00 1.02 0.00 0.00 0.21 0.00 0.00 66.02 67.25 1pyv s SER 2 CO 0.00 -0.00 0.00 -1.14 0.41 0.00 0.00 173.24 172.51 1pyv n ARG 3 N 5.06 0.00 -0.27 12.44 0.63 -1.26 -4.63 116.66 128.63 1pyv n ARG 3 Ca -0.08 0.00 0.09 0.00 -0.92 0.00 0.00 57.85 56.94 1pyv n ARG 3 Cb 0.55 -0.15 0.33 0.00 0.45 0.00 0.00 32.46 33.64 1pyv n ARG 3 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1pyv h ARG 4 N 0.00 0.78 0.00 -0.14 3.08 -2.00 0.31 114.38 116.41 1pyv h ARG 4 Ca 0.00 -0.05 -0.10 0.00 0.07 0.00 0.00 59.98 59.90 1pyv h ARG 4 Cb 0.04 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 29.90 1pyv h ARG 4 CO 0.00 0.51 -0.49 1.37 -1.07 0.00 0.00 179.97 180.30 1pyv h LEU 5 N 0.80 0.00 -0.91 3.04 -0.00 -1.99 -3.06 115.31 113.18 1pyv h LEU 5 Ca 0.42 0.00 -0.09 0.00 -0.00 0.00 0.00 57.88 58.21 1pyv h LEU 5 Cb 0.51 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.16 1pyv h LEU 5 CO -0.18 0.49 -0.41 0.25 -0.00 0.00 0.00 178.44 178.59 1pyv h LEU 6 N 0.00 0.00 0.29 0.17 5.85 -0.78 -1.89 115.31 118.95 1pyv h LEU 6 Ca -0.00 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.70 1pyv h LEU 6 Cb 1.37 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.40 1pyv h LEU 6 CO 0.06 0.41 -0.14 0.00 -0.34 0.00 0.00 178.44 178.43 1pyv h ALA 7 N 1.59 -0.53 -0.94 1.25 0.00 -0.74 -0.63 119.26 119.26 1pyv h ALA 7 Ca -0.00 -0.09 0.23 0.00 0.00 0.00 0.00 54.91 55.05 1pyv h ALA 7 Cb 0.92 0.15 -0.07 0.00 0.00 0.00 0.00 17.79 18.80 1pyv h ALA 7 CO 0.05 -0.50 0.63 0.77 0.00 0.00 0.00 179.25 180.20 1pyv h SER 8 N -0.79 0.34 0.29 0.00 0.02 -1.60 1.04 113.55 112.86 1pyv h SER 8 Ca -0.04 0.04 -0.14 0.00 -0.84 0.00 0.00 61.79 60.81 1pyv h SER 8 Cb 0.30 -0.02 -0.01 0.00 0.14 0.00 0.00 62.40 62.81 1pyv h SER 8 CO 0.07 0.12 -0.55 -0.07 -1.14 0.00 0.00 176.83 175.26 1pyv h LEU 9 N 0.33 0.31 0.09 5.07 3.38 -1.35 -2.50 115.31 120.64 1pyv h LEU 9 Ca 0.49 -0.16 -0.00 0.00 0.09 0.00 0.00 57.88 58.29 1pyv h LEU 9 Cb 1.35 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 42.01 1pyv h LEU 9 CO -0.17 0.80 -0.04 0.25 0.09 0.00 0.00 178.44 179.36 1pyv h LEU 10 N 0.22 -0.10 -0.68 1.67 7.12 0.24 -2.84 115.31 120.95 1pyv h LEU 10 Ca 0.00 -0.50 0.13 0.00 0.13 0.00 0.00 57.88 57.65 1pyv h LEU 10 Cb 1.03 0.03 -0.13 0.00 -0.53 0.00 0.00 40.66 41.06 1pyv h LEU 10 CO 0.09 0.54 -0.22 0.03 -0.13 0.00 0.00 178.44 178.74 1pyv h ARG 11 N -0.84 -0.05 -0.58 1.25 3.08 0.06 0.95 114.38 118.26 1pyv h ARG 11 Ca -0.01 0.00 0.05 0.00 0.07 0.00 0.00 59.98 60.09 1pyv h ARG 11 Cb 0.59 0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.62 1pyv h ARG 11 CO 0.02 -0.03 0.39 0.37 -1.07 0.00 0.00 179.97 179.64 1pyv h GLN 12 N -0.05 0.59 0.00 0.04 5.75 -1.52 0.48 115.11 120.40 1pyv h GLN 12 Ca 0.31 -0.04 -0.06 0.00 -0.15 0.00 0.00 58.65 58.72 1pyv h GLN 12 Cb 0.53 -0.13 -0.01 0.00 1.07 0.00 0.00 27.48 28.94 1pyv h GLN 12 CO -0.72 0.39 -0.28 0.66 -2.65 0.00 0.00 178.83 176.24 1pyv h SER 13 N 0.61 0.00 0.00 -0.69 4.64 0.87 0.47 113.55 119.45 1pyv h SER 13 Ca 0.24 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.54 1pyv h SER 13 Cb 0.19 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.28 1pyv h SER 13 CO -0.07 0.28 -0.13 0.00 -0.87 0.00 0.00 176.83 176.04 1pyv h ALA 14 N 1.72 0.03 0.00 5.18 0.00 0.31 -3.33 119.26 123.16 1pyv h ALA 14 Ca -0.00 -0.53 -0.13 0.00 0.00 0.00 0.00 54.91 54.25 1pyv h ALA 14 Cb 1.00 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.85 1pyv h ALA 14 CO 0.04 0.07 -0.60 -0.56 0.00 0.00 0.00 179.25 178.20 1pyv h GLN 15 N -1.00 0.00 -6.18 0.00 3.07 -0.25 -3.48 115.11 107.27 1pyv h GLN 15 Ca -0.03 0.00 -0.19 0.00 0.09 0.00 0.00 58.65 58.52 1pyv h GLN 15 Cb 0.94 0.00 0.01 0.00 0.08 0.00 0.00 27.48 28.51 1pyv h GLN 15 CO -0.02 0.60 -1.05 2.89 0.09 0.00 0.00 178.83 181.34 1pyv n ARG 16 N -3.77 -1.02 -1.07 0.06 1.85 0.16 -4.71 116.66 108.18 1pyv n ARG 16 Ca -0.01 1.02 -0.14 0.00 -1.00 0.00 0.00 57.85 57.72 1pyv n ARG 16 Cb 0.61 -1.39 -0.15 0.00 -1.05 0.00 0.00 32.46 30.48 1pyv n ARG 16 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1pyv n GLY 17 N 0.55 3.18 0.00 2.89 0.00 -1.26 -3.84 105.19 106.71 1pyv n GLY 17 Ca -0.04 -1.30 0.00 0.00 0.00 0.00 0.00 46.02 44.68 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 2.31 0.92 3.28 -0.02 0.00 -1.26 -4.89 105.19 105.53 1pyv n GLY 18 Ca 0.44 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.15 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 0.16 0.03 -0.02 0.00 -1.25 -4.94 105.19 99.17 1pyv n GLY 19 Ca 0.00 0.92 -0.01 0.00 0.00 0.00 0.00 46.02 46.93 1pyv n GLY 19 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1pyv h LEU 20 N 2.17 0.00 0.00 0.99 3.38 -1.90 -3.37 115.31 116.58 1pyv h LEU 20 Ca -0.46 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.51 1pyv h LEU 20 Cb 1.26 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.01 1pyv h LEU 20 CO 0.18 0.31 0.00 2.30 0.09 0.00 0.00 178.44 181.32 1pyv n ILE 21 N -3.31 0.24 0.00 1.22 -0.00 -1.26 -3.49 119.36 112.76 1pyv n ILE 21 Ca -0.02 0.06 0.00 0.00 -0.00 0.00 0.00 62.75 62.79 1pyv n ILE 21 Cb 0.09 -0.67 0.00 0.00 -0.00 0.00 0.00 39.64 39.06 1pyv n ILE 21 CO 0.00 0.00 0.00 -1.20 -0.00 0.00 0.00 176.55 175.35 1pyv n SER 22 N -1.28 0.00 -0.90 7.28 7.64 -1.26 -4.44 113.62 120.65 1pyv n SER 22 Ca 0.11 0.20 0.01 0.00 1.01 0.00 0.00 58.87 60.21 1pyv n SER 22 Cb 0.19 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.39 1pyv n SER 22 CO 0.00 0.00 0.00 -2.11 -3.01 0.00 0.00 175.04 169.92 1pyv n ARG 23 N -0.41 0.00 0.00 1.43 1.85 -1.26 -4.77 116.66 113.50 1pyv n ARG 23 Ca 0.00 -1.30 0.00 0.00 -1.00 0.00 0.00 57.85 55.55 1pyv n ARG 23 Cb 0.00 -0.22 0.00 0.00 -1.05 0.00 0.00 32.46 31.19 1pyv n ARG 23 CO 0.00 0.00 0.00 0.43 -0.01 0.00 0.00 177.63 178.05 1pyv n SER 24 N 0.19 0.00 0.05 2.89 7.64 -1.23 -4.27 113.62 118.89 1pyv n SER 24 Ca 0.01 0.00 0.11 0.00 1.01 0.00 0.00 58.87 60.00 1pyv n SER 24 Cb 0.85 0.00 0.46 0.00 -1.01 0.00 0.00 64.21 64.51 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 -0.65 0.31 0.00 -3.43 7.99 -1.25 -2.55 117.00 117.42 1pyv n LEU 25 Ca 0.00 0.55 0.08 0.00 -0.01 0.00 0.00 56.01 56.63 1pyv n LEU 25 Cb 0.00 -0.48 0.44 0.00 -0.11 0.00 0.00 43.42 43.27 1pyv n LEU 25 CO 0.00 -0.23 0.73 0.61 -1.51 0.00 0.00 177.39 176.99 1pyv n GLY 26 N 0.70 -0.76 0.01 -0.72 0.00 -1.26 -1.50 105.19 101.66 1pyv n GLY 26 Ca 0.05 -0.09 0.12 0.00 0.00 0.00 0.00 46.02 46.11 1pyv n GLY 26 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1pyv n ASN 27 N -1.22 0.41 -0.08 1.61 4.13 -1.06 -3.95 115.26 115.10 1pyv n ASN 27 Ca 0.09 -0.11 -0.22 0.00 1.68 0.00 0.00 54.58 56.02 1pyv n ASN 27 Cb 0.11 0.08 -0.12 0.00 -1.54 0.00 0.00 39.78 38.32 1pyv n ASN 27 CO 0.00 0.00 0.00 -1.54 0.28 0.00 0.00 177.26 176.00 1pyv n SER 28 N -1.47 1.92 -0.35 6.41 3.41 -0.56 -2.92 113.62 120.07 1pyv n SER 28 Ca 0.06 0.37 0.03 0.00 -0.26 0.00 0.00 58.87 59.07 1pyv n SER 28 Cb 0.34 -0.93 0.10 0.00 -0.26 0.00 0.00 64.21 63.45 1pyv n SER 28 CO 0.00 0.00 0.00 0.40 -0.16 0.00 0.00 175.04 175.28 1pyv h ILE 29 N -0.76 0.03 0.00 -1.33 1.08 -1.68 2.02 117.51 116.87 1pyv h ILE 29 Ca -0.39 0.00 -0.10 0.00 -0.39 0.00 0.00 64.86 63.99 1pyv h ILE 29 Cb 1.49 0.03 -0.01 0.00 -3.07 0.00 0.00 36.82 35.25 1pyv h ILE 29 CO -0.16 0.00 -0.46 1.55 -0.69 0.00 0.00 178.15 178.40 1pyv h PRO 30 N -0.01 0.00 -0.86 2.37 0.13 -1.74 -2.86 132.00 129.03 1pyv h PRO 30 Ca 0.42 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 65.40 1pyv h PRO 30 Cb 0.66 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 31.71 1pyv h PRO 30 CO -0.98 0.46 0.19 1.63 -0.23 0.00 0.00 178.00 179.07 1pyv n LYS 31 N -3.43 2.67 -3.11 0.86 5.02 0.51 -4.86 118.16 115.82 1pyv n LYS 31 Ca 0.00 -1.92 -0.14 0.00 -2.02 0.00 0.00 58.31 54.24 1pyv n LYS 31 Cb 0.60 -1.87 0.07 0.00 -0.02 0.00 0.00 35.03 33.82 1pyv n LYS 31 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1pyv n SER 32 N -0.03 -3.47 -2.44 4.39 2.88 0.18 -1.95 113.62 113.18 1pyv n SER 32 Ca 0.26 -0.55 -0.07 0.00 -1.33 0.00 0.00 58.87 57.19 1pyv n SER 32 Cb 1.02 -4.40 -0.00 0.00 -0.75 0.00 0.00 64.21 60.08 1pyv n SER 32 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1pyv n ALA 33 N -3.37 -0.86 -0.36 -1.46 0.00 0.56 -4.76 120.51 110.28 1pyv n ALA 33 Ca -0.17 0.06 0.01 0.00 0.00 0.00 0.00 53.44 53.33 1pyv n ALA 33 Cb 0.63 -1.05 0.06 0.00 0.00 0.00 0.00 19.45 19.09 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 -1.63 -0.54 -4.31 0.00 2.88 -0.82 -2.68 113.62 106.52 1pyv n SER 34 Ca -0.08 1.63 -0.46 0.00 -1.33 0.00 0.00 58.87 58.63 1pyv n SER 34 Cb 0.55 -0.41 -0.03 0.00 -0.75 0.00 0.00 64.21 63.58 1pyv n SER 34 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 1pyv s ARG 35 N -5.97 3.45 -0.40 -1.46 0.52 -1.26 -4.92 118.95 108.91 1pyv s ARG 35 Ca -0.13 -2.38 0.03 0.00 -0.52 0.00 0.00 55.73 52.73 1pyv s ARG 35 Cb 0.21 -4.36 0.16 0.00 0.52 0.00 0.00 34.95 31.48 1pyv s ARG 35 CO 0.69 -1.28 0.33 0.00 0.02 0.00 0.00 175.30 175.05 1pyv s ALA 36 N 0.32 0.85 0.00 2.13 0.00 -1.09 -4.80 121.76 119.17 1pyv s ALA 36 Ca 0.16 -2.00 0.00 0.00 0.00 0.00 0.00 51.96 50.12 1pyv s ALA 36 Cb -0.13 -1.71 0.00 0.00 0.00 0.00 0.00 23.12 21.28 1pyv s ALA 36 CO -0.07 -2.05 0.00 -1.13 0.00 0.00 0.00 175.76 172.51 1pyv n SER 37 N 3.34 0.00 -4.52 0.00 3.41 -1.26 -4.82 113.62 109.77 1pyv n SER 37 Ca 0.22 0.00 -0.43 0.00 -0.26 0.00 0.00 58.87 58.40 1pyv n SER 37 Cb 0.45 0.05 0.00 0.00 -0.26 0.00 0.00 64.21 64.44 1pyv n SER 37 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1pyv n SER 38 N -1.25 5.00 -3.49 4.04 2.88 -1.26 -4.19 113.62 115.34 1pyv n SER 38 Ca 0.00 -2.94 -0.24 0.00 -1.33 0.00 0.00 58.87 54.36 1pyv n SER 38 Cb 0.00 -1.69 0.06 0.00 -0.75 0.00 0.00 64.21 61.83 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 7.49 -7.00 -0.00 -1.46 3.00 -1.26 -4.86 116.66 112.57 1pyv n ARG 39 Ca 0.46 0.82 0.01 0.00 -0.00 0.00 0.00 57.85 59.14 1pyv n ARG 39 Cb 0.45 -5.82 0.01 0.00 0.00 0.00 0.00 32.46 27.10 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 -4.63 2.44 -0.00 5.13 0.00 -1.26 -4.38 120.51 117.81 1pyv n ALA 40 Ca -0.02 -0.57 -0.12 0.00 0.00 0.00 0.00 53.44 52.73 1pyv n ALA 40 Cb 0.57 -0.06 -0.09 0.00 0.00 0.00 0.00 19.45 19.87 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 0.35 -0.08 0.69 0.00 0.02 -1.88 1.15 113.55 113.81 1pyv h SER 41 Ca 0.00 -0.55 -0.16 0.00 -0.84 0.00 0.00 61.79 60.24 1pyv h SER 41 Cb 0.13 0.02 -0.02 0.00 0.14 0.00 0.00 62.40 62.67 1pyv h SER 41 CO 0.00 0.58 -0.76 1.55 -1.14 0.00 0.00 176.83 177.06 1pyv h PRO 42 N -0.81 0.05 0.05 3.45 0.13 -1.98 -3.08 132.00 129.80 1pyv h PRO 42 Ca -0.01 -0.05 -0.28 0.00 -0.87 0.00 0.00 66.00 64.80 1pyv h PRO 42 Cb 0.62 0.01 -0.03 0.00 0.13 0.00 0.00 31.00 31.74 1pyv h PRO 42 CO 0.02 0.78 -1.46 -0.22 -0.23 0.00 0.00 178.00 176.89 1pyv h LYS 43 N 0.03 0.10 -0.96 0.86 3.11 -1.76 -3.33 116.57 114.62 1pyv h LYS 43 Ca -0.01 -0.18 0.09 0.00 -2.81 0.00 0.00 60.65 57.74 1pyv h LYS 43 Cb 1.34 0.07 -0.07 0.00 -1.00 0.00 0.00 32.23 32.56 1pyv h LYS 43 CO 0.10 0.89 0.61 0.78 -2.81 0.00 0.00 179.45 179.02 1pyv h GLY 44 N 2.58 1.52 0.74 5.01 0.00 0.14 0.47 103.07 113.53 1pyv h GLY 44 Ca -0.20 -0.42 0.17 0.00 0.00 0.00 0.00 47.33 46.87 1pyv h GLY 44 CO 0.12 0.23 0.47 -2.75 0.00 0.00 0.00 176.54 174.61 1pyv h PHE 45 N 1.03 0.21 0.07 5.60 3.57 -1.64 1.62 116.94 127.40 1pyv h PHE 45 Ca 0.45 0.01 -0.29 0.00 3.53 0.00 0.00 57.97 61.66 1pyv h PHE 45 Cb 0.32 -0.07 -0.02 0.00 2.79 0.00 0.00 35.95 38.98 1pyv h PHE 45 CO -0.01 0.08 -1.52 1.25 -2.23 0.00 0.00 178.31 175.87 1pyv h LEU 46 N 0.17 0.25 -0.67 0.59 5.85 -1.16 -3.13 115.31 117.22 1pyv h LEU 46 Ca 0.32 -0.37 -0.14 0.00 0.84 0.00 0.00 57.88 58.54 1pyv h LEU 46 Cb 1.03 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.97 1pyv h LEU 46 CO -0.05 1.31 -0.64 -0.07 -0.34 0.00 0.00 178.44 178.64 1pyv h LEU 47 N 0.04 0.11 -0.83 2.25 -0.00 0.80 -2.43 115.31 115.25 1pyv h LEU 47 Ca -0.23 -0.06 -0.11 0.00 -0.00 0.00 0.00 57.88 57.47 1pyv h LEU 47 Cb 1.98 -0.03 -0.01 0.00 -0.00 0.00 0.00 40.66 42.60 1pyv h LEU 47 CO 0.13 0.72 -0.37 -1.13 -0.00 0.00 0.00 178.44 177.80 1pyv h ASN 48 N 0.06 0.45 0.50 -0.43 -0.73 0.21 -2.58 115.58 113.06 1pyv h ASN 48 Ca -0.01 -0.18 -0.13 0.00 1.87 0.00 0.00 56.30 57.85 1pyv h ASN 48 Cb 1.15 -0.12 -0.02 0.00 0.27 0.00 0.00 38.32 39.60 1pyv h ASN 48 CO 0.09 0.78 -0.59 0.03 -0.37 0.00 0.00 177.43 177.37 1pyv h ARG 49 N 0.36 0.09 -0.29 6.67 3.08 -1.44 -1.02 114.38 121.84 1pyv h ARG 49 Ca 0.04 -0.06 -0.03 0.00 0.07 0.00 0.00 59.98 60.00 1pyv h ARG 49 Cb 0.81 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.86 1pyv h ARG 49 CO 0.07 0.65 0.05 0.00 -1.07 0.00 0.00 179.97 179.66 1pyv h ALA 50 N 1.34 1.56 0.00 0.04 0.00 -1.04 -1.45 119.26 119.70 1pyv h ALA 50 Ca -0.01 -0.13 -0.21 0.00 0.00 0.00 0.00 54.91 54.56 1pyv h ALA 50 Cb 1.06 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.68 1pyv h ALA 50 CO 0.08 0.33 -1.23 -0.24 0.00 0.00 0.00 179.25 178.20 1pyv h VAL 51 N 0.41 1.11 0.12 0.00 3.04 -1.34 -3.33 116.25 116.25 1pyv h VAL 51 Ca 0.10 -2.78 0.00 0.00 -1.01 0.00 0.00 66.70 63.01 1pyv h VAL 51 Cb 0.20 2.51 -0.01 0.00 -2.01 0.00 0.00 31.29 31.98 1pyv h VAL 51 CO -0.00 0.63 -0.10 -0.61 -1.01 0.00 0.00 177.57 176.48 1pyv h GLN 52 N 0.00 -0.22 -0.01 4.17 4.15 -0.20 -3.52 115.11 119.49 1pyv h GLN 52 Ca -0.12 0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.31 1pyv h GLN 52 Cb 1.76 0.05 0.00 0.00 0.21 0.00 0.00 27.48 29.50 1pyv h GLN 52 CO 0.09 -0.15 0.00 0.66 -1.93 0.00 0.00 178.83 177.50