#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 -0.96 0.00 0.00 0.15 -1.26 -4.86 113.70 106.77 1pyv s SER 2 Ca 0.00 1.46 0.00 0.00 0.70 0.00 0.00 55.95 58.11 1pyv s SER 2 Cb 0.00 1.91 0.00 0.00 -1.71 0.00 0.00 66.02 66.22 1pyv s SER 2 CO 0.00 -0.22 0.00 -1.14 1.20 0.00 0.00 173.24 173.08 1pyv n ARG 3 N 5.14 0.00 0.33 5.44 0.63 -1.26 -4.09 116.66 122.84 1pyv n ARG 3 Ca -0.14 0.00 0.22 0.00 -0.92 0.00 0.00 57.85 57.01 1pyv n ARG 3 Cb 0.52 0.00 1.10 0.00 0.45 0.00 0.00 32.46 34.53 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 0.00 -0.23 -0.14 2.47 -2.02 -1.24 114.38 113.22 1pyv h ARG 4 Ca 0.00 0.00 -0.16 0.00 -1.26 0.00 0.00 59.98 58.56 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 0.00 -0.48 1.25 0.56 0.00 0.00 179.97 181.30 1pyv h LEU 5 N 0.00 0.82 -1.98 3.04 5.85 -1.89 -2.70 115.31 118.44 1pyv h LEU 5 Ca -0.00 -0.55 0.08 0.00 0.84 0.00 0.00 57.88 58.25 1pyv h LEU 5 Cb 0.12 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 40.90 1pyv h LEU 5 CO 0.00 1.22 0.40 0.17 -0.34 0.00 0.00 178.44 179.89 1pyv h LEU 6 N 0.45 0.00 0.58 2.25 8.10 -1.57 -1.15 115.31 123.97 1pyv h LEU 6 Ca 0.00 0.00 -0.03 0.00 0.11 0.00 0.00 57.88 57.97 1pyv h LEU 6 Cb 1.09 0.00 0.01 0.00 -0.44 0.00 0.00 40.66 41.31 1pyv h LEU 6 CO 0.11 0.00 -0.28 0.00 -4.11 0.00 0.00 178.44 174.16 1pyv h ALA 7 N 1.45 -1.05 -0.66 0.17 0.00 -1.52 -0.29 119.26 117.36 1pyv h ALA 7 Ca 0.13 -0.17 0.18 0.00 0.00 0.00 0.00 54.91 55.05 1pyv h ALA 7 Cb 0.93 0.30 -0.03 0.00 0.00 0.00 0.00 17.79 18.99 1pyv h ALA 7 CO -0.00 -0.99 0.47 1.03 0.00 0.00 0.00 179.25 179.76 1pyv h SER 8 N -0.88 0.09 -0.21 0.00 0.87 -1.33 1.62 113.55 113.69 1pyv h SER 8 Ca -0.08 0.01 -0.10 0.00 -1.23 0.00 0.00 61.79 60.39 1pyv h SER 8 Cb 0.59 -0.01 -0.02 0.00 -0.44 0.00 0.00 62.40 62.53 1pyv h SER 8 CO 0.13 0.04 -0.20 -0.07 -0.53 0.00 0.00 176.83 176.20 1pyv h LEU 9 N 0.09 0.66 0.00 2.23 -0.00 -1.06 0.20 115.31 117.43 1pyv h LEU 9 Ca 0.32 -0.22 -0.11 0.00 -0.00 0.00 0.00 57.88 57.88 1pyv h LEU 9 Cb 1.14 -0.18 -0.02 0.00 -0.00 0.00 0.00 40.66 41.61 1pyv h LEU 9 CO -0.03 0.86 -0.62 0.25 -0.00 0.00 0.00 178.44 178.90 1pyv h LEU 10 N 0.58 0.00 -2.22 1.67 7.12 0.18 -2.64 115.31 120.00 1pyv h LEU 10 Ca 0.09 -0.61 0.05 0.00 0.13 0.00 0.00 57.88 57.55 1pyv h LEU 10 Cb 0.66 0.00 -0.01 0.00 -0.53 0.00 0.00 40.66 40.78 1pyv h LEU 10 CO 0.05 1.16 0.22 0.08 -0.13 0.00 0.00 178.44 179.82 1pyv h ARG 11 N -1.00 0.00 0.11 1.25 0.11 0.20 0.93 114.38 115.99 1pyv h ARG 11 Ca -0.16 0.00 -0.30 0.00 0.10 0.00 0.00 59.98 59.62 1pyv h ARG 11 Cb 1.02 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.09 1pyv h ARG 11 CO -0.10 0.00 -1.53 0.37 0.10 0.00 0.00 179.97 178.81 1pyv h GLN 12 N 0.00 0.24 0.00 0.08 5.75 -0.70 -2.99 115.11 117.50 1pyv h GLN 12 Ca 0.09 -0.41 0.00 0.00 -0.15 0.00 0.00 58.65 58.18 1pyv h GLN 12 Cb 0.53 0.15 0.00 0.00 1.07 0.00 0.00 27.48 29.23 1pyv h GLN 12 CO -0.00 1.10 -0.02 0.77 -2.65 0.00 0.00 178.83 178.03 1pyv h SER 13 N 0.07 0.00 0.00 -0.69 0.02 -0.44 -3.21 113.55 109.30 1pyv h SER 13 Ca -0.24 -0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.71 1pyv h SER 13 Cb 2.01 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.55 1pyv h SER 13 CO 0.16 0.00 -0.00 0.00 -1.14 0.00 0.00 176.83 175.85 1pyv h ALA 14 N 2.14 -0.01 0.00 3.77 0.00 0.70 -0.53 119.26 125.33 1pyv h ALA 14 Ca 0.00 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.49 1pyv h ALA 14 Cb 0.93 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.72 1pyv h ALA 14 CO 0.00 -0.07 0.15 -0.56 0.00 0.00 0.00 179.25 178.77 1pyv h GLN 15 N -0.87 0.00 -0.51 0.00 3.07 -1.58 1.05 115.11 116.25 1pyv h GLN 15 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 1pyv h GLN 15 Cb 0.85 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.41 1pyv h GLN 15 CO 0.00 0.00 0.00 -2.13 0.09 0.00 0.00 178.83 176.79 1pyv n ARG 16 N -2.93 2.56 0.00 0.06 3.00 -1.20 -4.95 116.66 113.21 1pyv n ARG 16 Ca -0.02 -2.39 0.00 0.00 -0.00 0.00 0.00 57.85 55.43 1pyv n ARG 16 Cb 0.21 -1.53 0.00 0.00 0.00 0.00 0.00 32.46 31.14 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 1.56 1.79 0.00 5.14 0.00 0.36 -3.73 105.19 110.31 1pyv n GLY 17 Ca 0.21 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 45.97 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 0.00 0.49 -0.02 0.00 -0.22 -4.77 105.19 100.67 1pyv n GLY 18 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.98 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 4.05 3.81 -0.02 0.00 -1.24 -4.26 105.19 107.53 1pyv n GLY 19 Ca 0.00 -2.10 -0.27 0.00 0.00 0.00 0.00 46.02 43.65 1pyv n GLY 19 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1pyv n LEU 20 N 0.00 -2.85 0.00 0.99 7.99 -1.26 -4.20 117.00 117.68 1pyv n LEU 20 Ca -0.02 -0.74 0.00 0.00 -0.01 0.00 0.00 56.01 55.24 1pyv n LEU 20 Cb 0.09 -2.68 0.00 0.00 -0.11 0.00 0.00 43.42 40.72 1pyv n LEU 20 CO 0.05 0.49 0.00 -0.38 -1.51 0.00 0.00 177.39 176.04 1pyv n ILE 21 N -4.66 0.00 0.26 -0.08 5.41 -1.26 -4.81 119.36 114.22 1pyv n ILE 21 Ca -0.03 0.00 -0.16 0.00 1.00 0.00 0.00 62.75 63.56 1pyv n ILE 21 Cb 0.56 0.00 -0.08 0.00 -0.71 0.00 0.00 39.64 39.41 1pyv n ILE 21 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 176.55 177.32 1pyv h SER 22 N 0.00 -0.61 0.00 4.38 4.64 -1.74 -3.11 113.55 117.10 1pyv h SER 22 Ca 0.00 0.03 -0.18 0.00 -0.47 0.00 0.00 61.79 61.17 1pyv h SER 22 Cb 0.00 0.17 -0.03 0.00 -0.31 0.00 0.00 62.40 62.23 1pyv h SER 22 CO 0.00 -0.40 -1.68 -1.14 -0.87 0.00 0.00 176.83 172.73 1pyv n ARG 23 N -5.38 1.08 0.00 4.77 3.00 -1.26 -4.14 116.66 114.73 1pyv n ARG 23 Ca -0.11 0.04 0.00 0.00 -0.00 0.00 0.00 57.85 57.78 1pyv n ARG 23 Cb 0.29 -1.25 0.00 0.00 0.00 0.00 0.00 32.46 31.50 1pyv n ARG 23 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.63 178.06 1pyv n SER 24 N -2.68 0.00 0.17 6.15 7.64 -1.26 0.19 113.62 123.83 1pyv n SER 24 Ca -0.20 0.08 0.12 0.00 1.01 0.00 0.00 58.87 59.89 1pyv n SER 24 Cb 0.76 0.00 0.61 0.00 -1.01 0.00 0.00 64.21 64.57 1pyv n SER 24 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 1pyv h LEU 25 N 0.00 0.00 -0.14 -3.43 -0.00 -1.88 0.15 115.31 110.01 1pyv h LEU 25 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.88 1pyv h LEU 25 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.66 1pyv h LEU 25 CO 0.00 0.00 -0.04 0.61 -0.00 0.00 0.00 178.44 179.01 1pyv n GLY 26 N -0.82 -1.02 0.22 0.83 0.00 -0.76 -3.23 105.19 100.41 1pyv n GLY 26 Ca -0.00 -0.22 0.15 0.00 0.00 0.00 0.00 46.02 45.95 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 0.33 0.00 -0.58 1.61 -1.24 0.50 -3.25 115.58 112.95 1pyv h ASN 27 Ca 0.00 0.00 -0.30 0.00 0.71 0.00 0.00 56.30 56.71 1pyv h ASN 27 Cb 0.25 0.00 -0.26 0.00 0.73 0.00 0.00 38.32 39.04 1pyv h ASN 27 CO 0.00 0.00 -0.75 -1.20 -1.29 0.00 0.00 177.43 174.19 1pyv n SER 28 N -2.72 -0.50 0.07 1.15 7.64 -1.20 -4.93 113.62 113.13 1pyv n SER 28 Ca 0.01 -2.78 -0.12 0.00 1.01 0.00 0.00 58.87 56.99 1pyv n SER 28 Cb 0.26 0.42 -0.02 0.00 -1.01 0.00 0.00 64.21 63.87 1pyv n SER 28 CO 0.00 0.00 0.00 -0.29 -3.01 0.00 0.00 175.04 171.74 1pyv h ILE 29 N 2.36 1.41 0.00 0.44 2.10 -1.60 1.40 117.51 123.63 1pyv h ILE 29 Ca -0.15 -2.40 -0.08 0.00 1.08 0.00 0.00 64.86 63.31 1pyv h ILE 29 Cb 1.19 2.35 -0.01 0.00 -1.09 0.00 0.00 36.82 39.26 1pyv h ILE 29 CO 0.22 0.71 -0.38 1.55 -1.08 0.00 0.00 178.15 179.17 1pyv h PRO 30 N 0.22 0.00 -0.22 2.19 0.13 -1.91 -2.64 132.00 129.76 1pyv h PRO 30 Ca -0.06 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.07 1pyv h PRO 30 Cb 1.49 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.62 1pyv h PRO 30 CO 0.15 0.38 0.00 1.63 -0.23 0.00 0.00 178.00 179.93 1pyv n LYS 31 N -3.38 1.49 -2.39 0.86 5.02 -1.18 -4.84 118.16 113.75 1pyv n LYS 31 Ca 0.01 -0.75 -0.06 0.00 -2.02 0.00 0.00 58.31 55.49 1pyv n LYS 31 Cb 0.57 -1.17 0.01 0.00 -0.02 0.00 0.00 35.03 34.42 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 0.11 -2.70 -1.84 4.39 2.88 -0.99 -2.75 113.62 112.71 1pyv n SER 32 Ca 0.07 -0.06 -0.17 0.00 -1.33 0.00 0.00 58.87 57.37 1pyv n SER 32 Cb 0.18 -1.72 -0.02 0.00 -0.75 0.00 0.00 64.21 61.90 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 -2.06 -0.46 -0.02 -1.46 0.00 0.48 -4.83 120.51 112.15 1pyv n ALA 33 Ca -0.04 0.16 0.23 0.00 0.00 0.00 0.00 53.44 53.80 1pyv n ALA 33 Cb 0.54 -1.87 0.72 0.00 0.00 0.00 0.00 19.45 18.83 1pyv n ALA 33 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1pyv h SER 34 N 0.00 0.00 -1.33 0.00 0.87 -1.47 -1.31 113.55 110.31 1pyv h SER 34 Ca -0.40 0.00 -0.64 0.00 -1.23 0.00 0.00 61.79 59.53 1pyv h SER 34 Cb 1.27 0.00 -0.18 0.00 -0.44 0.00 0.00 62.40 63.05 1pyv h SER 34 CO 0.49 0.00 1.13 -1.14 -0.53 0.00 0.00 176.83 176.78 1pyv n ARG 35 N -3.97 3.38 0.00 2.24 3.00 -1.26 -4.58 116.66 115.47 1pyv n ARG 35 Ca 0.12 -3.05 0.00 0.00 -0.00 0.00 0.00 57.85 54.92 1pyv n ARG 35 Cb 0.77 -2.33 0.00 0.00 0.00 0.00 0.00 32.46 30.90 1pyv n ARG 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1pyv n ALA 36 N 0.84 0.04 0.00 5.13 0.00 -0.49 -4.82 120.51 121.21 1pyv n ALA 36 Ca 0.53 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.97 1pyv n ALA 36 Cb 0.39 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.84 1pyv n ALA 36 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1pyv n SER 37 N 0.00 0.00 -0.40 0.00 7.64 -1.24 -4.40 113.62 115.21 1pyv n SER 37 Ca 0.00 0.00 -0.07 0.00 1.01 0.00 0.00 58.87 59.81 1pyv n SER 37 Cb 0.00 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.15 1pyv n SER 37 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1pyv n SER 38 N 2.55 -0.90 -3.32 6.43 7.64 -1.26 -3.03 113.62 121.73 1pyv n SER 38 Ca 0.00 1.76 -0.25 0.00 1.01 0.00 0.00 58.87 61.38 1pyv n SER 38 Cb 0.00 -0.29 -0.08 0.00 -1.01 0.00 0.00 64.21 62.83 1pyv n SER 38 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1pyv n ARG 39 N -5.33 1.29 0.00 1.43 1.74 -1.26 -4.80 116.66 109.72 1pyv n ARG 39 Ca 0.05 -3.74 0.00 0.00 -0.77 0.00 0.00 57.85 53.39 1pyv n ARG 39 Cb 0.31 -1.64 0.00 0.00 -1.02 0.00 0.00 32.46 30.11 1pyv n ARG 39 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1pyv n ALA 40 N 1.40 2.31 0.00 7.54 0.00 -1.17 -4.35 120.51 126.25 1pyv n ALA 40 Ca 0.25 -0.41 -0.09 0.00 0.00 0.00 0.00 53.44 53.19 1pyv n ALA 40 Cb 0.48 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.86 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 0.00 -0.10 0.60 0.00 0.02 -1.87 0.53 113.55 112.73 1pyv h SER 41 Ca 0.00 -0.41 -0.18 0.00 -0.84 0.00 0.00 61.79 60.37 1pyv h SER 41 Cb 0.02 0.03 -0.01 0.00 0.14 0.00 0.00 62.40 62.57 1pyv h SER 41 CO 0.00 0.55 -0.79 1.55 -1.14 0.00 0.00 176.83 176.99 1pyv h PRO 42 N -0.94 0.14 0.00 3.45 0.13 -1.97 -3.09 132.00 129.72 1pyv h PRO 42 Ca -0.01 -0.14 -0.08 0.00 -0.87 0.00 0.00 66.00 64.90 1pyv h PRO 42 Cb 0.50 0.04 -0.01 0.00 0.13 0.00 0.00 31.00 31.66 1pyv h PRO 42 CO 0.02 0.86 -0.81 0.87 -0.23 0.00 0.00 178.00 178.70 1pyv h LYS 43 N 0.09 0.00 0.47 0.86 1.79 -1.76 -3.36 116.57 114.65 1pyv h LYS 43 Ca -0.03 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.43 1pyv h LYS 43 Cb 1.38 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 32.02 1pyv h LYS 43 CO 0.12 0.24 -0.36 0.78 -1.08 0.00 0.00 179.45 179.15 1pyv h GLY 44 N 3.76 -0.90 0.11 3.86 0.00 0.16 1.59 103.07 111.65 1pyv h GLY 44 Ca -0.05 0.41 0.22 0.00 0.00 0.00 0.00 47.33 47.91 1pyv h GLY 44 CO 0.03 -0.32 0.63 -2.75 0.00 0.00 0.00 176.54 174.13 1pyv h PHE 45 N -0.81 0.67 0.00 5.60 3.04 -1.69 1.71 116.94 125.46 1pyv h PHE 45 Ca -0.05 0.02 -0.02 0.00 3.98 0.00 0.00 57.97 61.90 1pyv h PHE 45 Cb 0.69 -0.20 -0.00 0.00 2.56 0.00 0.00 35.95 39.00 1pyv h PHE 45 CO -0.15 0.13 -0.60 1.25 -2.02 0.00 0.00 178.31 176.92 1pyv h LEU 46 N 0.47 0.00 0.00 0.59 5.85 -1.52 -3.03 115.31 117.67 1pyv h LEU 46 Ca 0.53 0.00 -0.10 0.00 0.84 0.00 0.00 57.88 59.16 1pyv h LEU 46 Cb 1.25 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.26 1pyv h LEU 46 CO -0.25 0.10 -0.76 -0.07 -0.34 0.00 0.00 178.44 177.11 1pyv h LEU 47 N 0.00 0.00 -0.04 2.25 -0.00 0.96 -3.07 115.31 115.42 1pyv h LEU 47 Ca -0.01 0.00 -0.22 0.00 -0.00 0.00 0.00 57.88 57.64 1pyv h LEU 47 Cb 1.09 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 41.73 1pyv h LEU 47 CO 0.01 0.40 -1.04 -1.13 -0.00 0.00 0.00 178.44 176.69 1pyv h ASN 48 N 0.00 0.16 0.62 -0.43 -0.73 0.21 -3.18 115.58 112.23 1pyv h ASN 48 Ca -0.05 -0.16 -0.12 0.00 1.87 0.00 0.00 56.30 57.84 1pyv h ASN 48 Cb 1.35 -0.05 -0.02 0.00 0.27 0.00 0.00 38.32 39.87 1pyv h ASN 48 CO 0.04 1.09 -0.58 -0.09 -0.37 0.00 0.00 177.43 177.52 1pyv h ARG 49 N 0.04 0.00 -0.19 6.67 1.12 -1.57 -1.08 114.38 119.36 1pyv h ARG 49 Ca -0.05 0.00 -0.05 0.00 -1.11 0.00 0.00 59.98 58.77 1pyv h ARG 49 Cb 1.76 0.00 -0.01 0.00 -0.01 0.00 0.00 29.97 31.71 1pyv h ARG 49 CO 0.15 0.58 -0.11 0.00 -3.11 0.00 0.00 179.97 177.48 1pyv h ALA 50 N 1.42 1.45 0.00 2.80 0.00 -1.52 -0.50 119.26 122.92 1pyv h ALA 50 Ca -0.01 -0.21 -0.21 0.00 0.00 0.00 0.00 54.91 54.48 1pyv h ALA 50 Cb 1.05 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.70 1pyv h ALA 50 CO 0.08 0.38 -1.23 0.28 0.00 0.00 0.00 179.25 178.76 1pyv h VAL 51 N 0.29 1.10 0.54 0.00 2.07 -1.52 -3.35 116.25 115.39 1pyv h VAL 51 Ca 0.06 -2.77 -0.03 0.00 0.82 0.00 0.00 66.70 64.79 1pyv h VAL 51 Cb 0.38 2.51 0.01 0.00 -1.52 0.00 0.00 31.29 32.66 1pyv h VAL 51 CO 0.02 0.63 -0.26 -0.61 0.02 0.00 0.00 177.57 177.37 1pyv h GLN 52 N 0.00 -0.70 0.00 1.57 -0.00 -0.45 -3.52 115.11 112.02 1pyv h GLN 52 Ca -0.13 0.05 0.00 0.00 -0.00 0.00 0.00 58.65 58.57 1pyv h GLN 52 Cb 1.76 0.16 0.00 0.00 0.00 0.00 0.00 27.48 29.40 1pyv h GLN 52 CO 0.09 -0.40 0.00 0.66 0.00 0.00 0.00 178.83 179.18