#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pyv n SER 2 N 0.00 -1.00 -0.06 0.00 2.88 -1.26 -4.92 113.62 109.26 1pyv n SER 2 Ca 0.00 0.22 -0.05 0.00 -1.33 0.00 0.00 58.87 57.70 1pyv n SER 2 Cb 0.00 1.30 -0.03 0.00 -0.75 0.00 0.00 64.21 64.73 1pyv n SER 2 CO 0.00 0.00 0.00 0.03 -1.23 0.00 0.00 175.04 173.84 1pyv h ARG 3 N 0.00 0.00 -0.82 -1.46 3.08 -2.03 -3.30 114.38 109.86 1pyv h ARG 3 Ca 0.00 0.00 0.21 0.00 0.07 0.00 0.00 59.98 60.26 1pyv h ARG 3 Cb 0.00 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.00 1pyv h ARG 3 CO 0.00 0.23 0.56 0.00 -1.07 0.00 0.00 179.97 179.69 1pyv h ARG 4 N -1.00 0.19 0.62 0.04 3.08 -2.00 -1.22 114.38 114.10 1pyv h ARG 4 Ca -0.03 -0.01 -0.02 0.00 0.07 0.00 0.00 59.98 59.98 1pyv h ARG 4 Cb 0.42 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.41 1pyv h ARG 4 CO -0.02 0.13 -0.47 1.25 -1.07 0.00 0.00 179.97 179.79 1pyv h LEU 5 N 0.20 -1.24 -1.47 3.04 5.85 -1.92 -0.69 115.31 119.09 1pyv h LEU 5 Ca 0.40 0.08 0.33 0.00 0.84 0.00 0.00 57.88 59.54 1pyv h LEU 5 Cb 1.28 0.39 -0.10 0.00 0.37 0.00 0.00 40.66 42.60 1pyv h LEU 5 CO -0.08 -0.68 0.76 0.25 -0.34 0.00 0.00 178.44 178.35 1pyv h LEU 6 N -1.06 0.32 0.57 2.25 5.85 -1.30 1.17 115.31 123.11 1pyv h LEU 6 Ca -0.08 0.09 -0.03 0.00 0.84 0.00 0.00 57.88 58.70 1pyv h LEU 6 Cb 0.88 0.05 0.01 0.00 0.37 0.00 0.00 40.66 41.96 1pyv h LEU 6 CO 0.02 -0.01 -0.27 0.00 -0.34 0.00 0.00 178.44 177.84 1pyv h ALA 7 N 1.58 -1.07 -0.31 1.25 0.00 -0.95 0.38 119.26 120.15 1pyv h ALA 7 Ca 0.67 -0.17 0.05 0.00 0.00 0.00 0.00 54.91 55.46 1pyv h ALA 7 Cb 1.98 0.30 -0.02 0.00 0.00 0.00 0.00 17.79 20.05 1pyv h ALA 7 CO -0.29 -1.01 0.21 0.77 0.00 0.00 0.00 179.25 178.92 1pyv h SER 8 N -0.85 0.16 0.08 0.00 0.02 0.41 0.24 113.55 113.61 1pyv h SER 8 Ca -0.08 -0.00 -0.07 0.00 -0.84 0.00 0.00 61.79 60.80 1pyv h SER 8 Cb 0.59 -0.04 -0.01 0.00 0.14 0.00 0.00 62.40 63.08 1pyv h SER 8 CO 0.13 0.11 -0.21 -0.07 -1.14 0.00 0.00 176.83 175.64 1pyv h LEU 9 N 0.19 0.24 0.01 5.07 -0.00 0.15 -0.43 115.31 120.53 1pyv h LEU 9 Ca 0.14 -0.06 -0.00 0.00 -0.00 0.00 0.00 57.88 57.95 1pyv h LEU 9 Cb 0.31 -0.06 0.00 0.00 -0.00 0.00 0.00 40.66 40.90 1pyv h LEU 9 CO -0.02 0.46 -0.00 0.25 -0.00 0.00 0.00 178.44 179.13 1pyv h LEU 10 N 0.22 -0.01 -0.33 1.67 7.12 0.16 -3.12 115.31 121.03 1pyv h LEU 10 Ca 0.04 -0.86 0.07 0.00 0.13 0.00 0.00 57.88 57.27 1pyv h LEU 10 Cb 0.51 0.00 -0.08 0.00 -0.53 0.00 0.00 40.66 40.56 1pyv h LEU 10 CO 0.03 0.89 -0.21 0.03 -0.13 0.00 0.00 178.44 179.05 1pyv h ARG 11 N -0.93 -0.16 -1.00 1.25 3.08 -0.78 0.83 114.38 116.66 1pyv h ARG 11 Ca -0.00 0.01 0.18 0.00 0.07 0.00 0.00 59.98 60.24 1pyv h ARG 11 Cb 0.86 0.04 -0.10 0.00 0.08 0.00 0.00 29.97 30.85 1pyv h ARG 11 CO 0.00 -0.11 0.62 0.37 -1.07 0.00 0.00 179.97 179.78 1pyv h GLN 12 N -0.17 0.75 -0.00 0.04 5.75 -1.19 0.38 115.11 120.67 1pyv h GLN 12 Ca 0.17 -0.05 -0.18 0.00 -0.15 0.00 0.00 58.65 58.45 1pyv h GLN 12 Cb 0.43 -0.17 -0.02 0.00 1.07 0.00 0.00 27.48 28.79 1pyv h GLN 12 CO -0.43 0.50 -0.81 1.03 -2.65 0.00 0.00 178.83 176.46 1pyv h SER 13 N 0.78 0.12 -0.30 -0.69 0.87 -0.75 -0.17 113.55 113.40 1pyv h SER 13 Ca 0.57 -0.09 -0.02 0.00 -1.23 0.00 0.00 61.79 61.02 1pyv h SER 13 Cb 0.87 -0.04 -0.02 0.00 -0.44 0.00 0.00 62.40 62.78 1pyv h SER 13 CO -0.36 0.88 0.14 0.00 -0.53 0.00 0.00 176.83 176.95 1pyv h ALA 14 N 1.12 1.58 0.00 6.23 0.00 0.47 -3.07 119.26 125.59 1pyv h ALA 14 Ca -0.02 -0.10 -0.12 0.00 0.00 0.00 0.00 54.91 54.67 1pyv h ALA 14 Cb 1.42 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 19.04 1pyv h ALA 14 CO 0.11 0.33 -0.66 1.96 0.00 0.00 0.00 179.25 181.00 1pyv h GLN 15 N 0.50 0.00 -5.34 0.00 4.20 -1.02 -3.50 115.11 109.95 1pyv h GLN 15 Ca 0.12 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.84 1pyv h GLN 15 Cb 0.11 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.88 1pyv h GLN 15 CO -0.01 0.89 -1.05 -2.13 -0.67 0.00 0.00 178.83 175.86 1pyv n ARG 16 N -4.53 -3.12 -0.11 1.46 0.63 -0.09 -5.00 116.66 105.90 1pyv n ARG 16 Ca -0.20 2.55 -0.20 0.00 -0.92 0.00 0.00 57.85 59.08 1pyv n ARG 16 Cb 0.54 -4.60 -0.07 0.00 0.45 0.00 0.00 32.46 28.78 1pyv n ARG 16 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1pyv n GLY 17 N 0.96 -0.56 0.78 5.14 0.00 -1.26 -4.91 105.19 105.33 1pyv n GLY 17 Ca -0.05 -0.19 -0.05 0.00 0.00 0.00 0.00 46.02 45.73 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 1.37 -0.15 0.00 -0.02 0.00 -1.26 -5.13 105.19 100.01 1pyv n GLY 18 Ca -0.34 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.61 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 2.75 1.01 2.19 -0.02 0.00 -1.26 -4.97 105.19 104.90 1pyv n GLY 19 Ca -0.09 -0.44 -0.14 0.00 0.00 0.00 0.00 46.02 45.35 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 -1.13 0.00 0.99 4.32 -1.26 -4.49 117.00 115.43 1pyv n LEU 20 Ca 0.00 0.29 0.00 0.00 -0.02 0.00 0.00 56.01 56.28 1pyv n LEU 20 Cb 0.00 -2.18 0.00 0.00 -1.62 0.00 0.00 43.42 39.62 1pyv n LEU 20 CO 0.00 -0.57 0.00 0.00 -1.22 0.00 0.00 177.39 175.60 1pyv n ILE 21 N -2.41 0.00 0.20 -0.08 3.06 -1.26 -4.63 119.36 114.24 1pyv n ILE 21 Ca -0.15 0.00 0.12 0.00 -2.50 0.00 0.00 62.75 60.22 1pyv n ILE 21 Cb 0.52 -0.29 0.10 0.00 0.54 0.00 0.00 39.64 40.51 1pyv n ILE 21 CO 0.00 0.00 0.00 0.28 -2.50 0.00 0.00 176.55 174.33 1pyv h SER 22 N 0.00 0.00 0.00 9.51 0.02 -1.84 -3.06 113.55 118.18 1pyv h SER 22 Ca 0.00 -0.01 -0.19 0.00 -0.84 0.00 0.00 61.79 60.75 1pyv h SER 22 Cb 0.00 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.51 1pyv h SER 22 CO 0.00 0.01 -1.33 -1.14 -1.14 0.00 0.00 176.83 173.23 1pyv n ARG 23 N -2.84 0.54 0.00 3.45 3.00 -1.26 -3.54 116.66 116.00 1pyv n ARG 23 Ca 0.02 0.44 0.00 0.00 -0.00 0.00 0.00 57.85 58.31 1pyv n ARG 23 Cb 0.53 -1.63 0.00 0.00 0.00 0.00 0.00 32.46 31.36 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 -4.44 0.00 -2.67 6.15 7.64 -1.26 -3.07 113.62 115.97 1pyv n SER 24 Ca -0.28 0.03 -0.26 0.00 1.01 0.00 0.00 58.87 59.37 1pyv n SER 24 Cb 0.60 0.00 -0.10 0.00 -1.01 0.00 0.00 64.21 63.70 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 -0.04 7.04 0.00 -3.43 4.77 -1.21 -3.40 117.00 120.73 1pyv n LEU 25 Ca 0.00 -3.81 0.00 0.00 -0.03 0.00 0.00 56.01 52.17 1pyv n LEU 25 Cb 0.00 -1.48 0.00 0.00 -2.33 0.00 0.00 43.42 39.61 1pyv n LEU 25 CO 0.00 1.89 0.00 0.61 -1.33 0.00 0.00 177.39 178.56 1pyv n GLY 26 N 2.96 -0.06 0.35 -0.72 0.00 -1.16 -4.58 105.19 101.98 1pyv n GLY 26 Ca 0.61 -0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.78 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 -0.55 1.61 -1.24 -1.55 -3.25 115.58 110.60 1pyv h ASN 27 Ca 0.00 0.00 -0.10 0.00 0.71 0.00 0.00 56.30 56.91 1pyv h ASN 27 Cb 0.00 0.00 -0.15 0.00 0.73 0.00 0.00 38.32 38.90 1pyv h ASN 27 CO 0.00 0.00 -0.33 -0.24 -1.29 0.00 0.00 177.43 175.57 1pyv n SER 28 N -3.03 -2.57 -0.17 1.15 2.88 -1.26 -5.01 113.62 105.61 1pyv n SER 28 Ca 0.00 -2.21 -0.08 0.00 -1.33 0.00 0.00 58.87 55.24 1pyv n SER 28 Cb 0.46 1.35 0.01 0.00 -0.75 0.00 0.00 64.21 65.28 1pyv n SER 28 CO 0.00 0.00 0.00 0.40 -1.23 0.00 0.00 175.04 174.21 1pyv h ILE 29 N 3.69 1.21 0.00 2.46 1.08 -1.80 1.91 117.51 126.06 1pyv h ILE 29 Ca -0.01 -0.68 0.00 0.00 -0.39 0.00 0.00 64.86 63.79 1pyv h ILE 29 Cb 1.13 0.76 0.00 0.00 -3.07 0.00 0.00 36.82 35.63 1pyv h ILE 29 CO -0.01 0.25 0.00 -0.81 -0.69 0.00 0.00 178.15 176.89 1pyv n PRO 30 N -4.56 0.75 -0.29 2.37 -0.04 -1.26 -2.32 135.00 129.65 1pyv n PRO 30 Ca 0.01 0.00 0.01 0.00 -0.04 0.00 0.00 63.50 63.48 1pyv n PRO 30 Cb 0.16 -1.47 0.01 0.00 -0.04 0.00 0.00 33.50 32.16 1pyv n PRO 30 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1pyv n LYS 31 N -0.97 0.23 -0.06 0.54 4.76 -0.44 -4.82 118.16 117.40 1pyv n LYS 31 Ca 0.17 -0.99 -0.09 0.00 -2.87 0.00 0.00 58.31 54.53 1pyv n LYS 31 Cb 0.08 -0.60 -0.05 0.00 -1.84 0.00 0.00 35.03 32.62 1pyv n LYS 31 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46 1pyv n SER 32 N -0.13 2.56 0.12 4.39 7.64 0.63 -4.38 113.62 124.46 1pyv n SER 32 Ca 0.01 -0.01 0.09 0.00 1.01 0.00 0.00 58.87 59.98 1pyv n SER 32 Cb 0.61 -0.22 0.46 0.00 -1.01 0.00 0.00 64.21 64.05 1pyv n SER 32 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1pyv n ALA 33 N -3.00 1.20 1.10 -0.43 0.00 -1.11 0.43 120.51 118.70 1pyv n ALA 33 Ca -0.21 0.13 0.12 0.00 0.00 0.00 0.00 53.44 53.48 1pyv n ALA 33 Cb 0.70 -1.28 0.17 0.00 0.00 0.00 0.00 19.45 19.04 1pyv n ALA 33 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1pyv n SER 34 N -2.09 1.31 -2.76 0.00 7.64 -1.26 -4.45 113.62 112.02 1pyv n SER 34 Ca -0.00 -1.05 -0.09 0.00 1.01 0.00 0.00 58.87 58.74 1pyv n SER 34 Cb 0.08 0.38 0.09 0.00 -1.01 0.00 0.00 64.21 63.74 1pyv n SER 34 CO 0.00 0.00 0.00 -2.11 -3.01 0.00 0.00 175.04 169.92 1pyv n ARG 35 N -0.64 1.06 0.00 1.43 1.85 0.17 -5.06 116.66 115.47 1pyv n ARG 35 Ca 0.09 -2.05 0.00 0.00 -1.00 0.00 0.00 57.85 54.89 1pyv n ARG 35 Cb 0.39 -0.84 0.00 0.00 -1.05 0.00 0.00 32.46 30.95 1pyv n ARG 35 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1pyv n ALA 36 N 0.10 0.07 -0.98 2.89 0.00 0.47 -4.86 120.51 118.20 1pyv n ALA 36 Ca 0.05 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.59 1pyv n ALA 36 Cb 0.74 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.16 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 -5.82 0.00 0.00 7.64 -1.26 -4.86 113.62 109.32 1pyv n SER 37 Ca 0.00 0.79 0.00 0.00 1.01 0.00 0.00 58.87 60.67 1pyv n SER 37 Cb 0.00 -2.23 0.00 0.00 -1.01 0.00 0.00 64.21 60.97 1pyv n SER 37 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1pyv n SER 38 N -2.97 0.00 -0.80 6.43 2.88 -1.26 -3.51 113.62 114.39 1pyv n SER 38 Ca 0.01 0.00 -0.04 0.00 -1.33 0.00 0.00 58.87 57.50 1pyv n SER 38 Cb 0.34 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.75 1pyv n SER 38 CO 0.00 0.00 0.00 -2.11 -1.23 0.00 0.00 175.04 171.70 1pyv n ARG 39 N 0.00 0.00 -0.01 -1.46 0.00 -1.26 -4.90 116.66 109.03 1pyv n ARG 39 Ca 0.00 -0.64 0.12 0.00 -0.00 0.00 0.00 57.85 57.34 1pyv n ARG 39 Cb 0.00 0.35 0.18 0.00 -0.00 0.00 0.00 32.46 32.99 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 0.00 2.48 0.16 2.89 0.00 -1.23 -3.90 120.51 120.90 1pyv n ALA 40 Ca -0.18 -0.67 -0.12 0.00 0.00 0.00 0.00 53.44 52.47 1pyv n ALA 40 Cb 0.60 -0.87 -0.07 0.00 0.00 0.00 0.00 19.45 19.10 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 4.30 -0.38 0.87 0.00 0.87 -1.90 1.63 113.55 118.94 1pyv h SER 41 Ca 0.00 -0.17 -0.13 0.00 -1.23 0.00 0.00 61.79 60.25 1pyv h SER 41 Cb 0.91 0.10 -0.02 0.00 -0.44 0.00 0.00 62.40 62.95 1pyv h SER 41 CO 0.00 0.04 -0.63 1.55 -0.53 0.00 0.00 176.83 177.26 1pyv h PRO 42 N -0.88 0.00 0.00 2.24 0.13 -1.99 -3.00 132.00 128.50 1pyv h PRO 42 Ca -0.05 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 65.00 1pyv h PRO 42 Cb 0.53 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.64 1pyv h PRO 42 CO 0.07 0.63 -0.80 1.57 -0.23 0.00 0.00 178.00 179.24 1pyv h LYS 43 N 0.00 0.00 0.00 0.86 5.09 -1.67 -3.34 116.57 117.51 1pyv h LYS 43 Ca -0.01 0.00 -0.00 0.00 0.09 0.00 0.00 60.65 60.73 1pyv h LYS 43 Cb 1.24 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.57 1pyv h LYS 43 CO 0.08 0.26 -0.00 0.78 -2.09 0.00 0.00 179.45 178.48 1pyv h GLY 44 N 3.74 -0.00 -0.68 0.07 0.00 0.26 -1.13 103.07 105.33 1pyv h GLY 44 Ca -0.05 0.00 0.37 0.00 0.00 0.00 0.00 47.33 47.65 1pyv h GLY 44 CO 0.04 -0.00 0.89 -2.75 0.00 0.00 0.00 176.54 174.71 1pyv h PHE 45 N -0.19 0.26 0.06 5.60 3.04 -1.66 2.11 116.94 126.15 1pyv h PHE 45 Ca -0.00 0.01 -0.27 0.00 3.98 0.00 0.00 57.97 61.69 1pyv h PHE 45 Cb 0.19 -0.07 -0.02 0.00 2.56 0.00 0.00 35.95 38.61 1pyv h PHE 45 CO -0.01 -0.02 -1.41 1.25 -2.02 0.00 0.00 178.31 176.09 1pyv h LEU 46 N 0.11 0.18 -0.43 0.59 5.85 -1.64 -3.16 115.31 116.82 1pyv h LEU 46 Ca 0.67 -0.26 -0.18 0.00 0.84 0.00 0.00 57.88 58.96 1pyv h LEU 46 Cb 2.35 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 43.32 1pyv h LEU 46 CO -0.16 1.21 -0.73 -0.07 -0.34 0.00 0.00 178.44 178.36 1pyv h LEU 47 N 0.03 0.40 -0.86 2.25 -0.00 0.31 -2.88 115.31 114.56 1pyv h LEU 47 Ca -0.18 -0.27 -0.04 0.00 -0.00 0.00 0.00 57.88 57.39 1pyv h LEU 47 Cb 1.94 -0.12 -0.04 0.00 -0.00 0.00 0.00 40.66 42.45 1pyv h LEU 47 CO 0.13 1.00 0.34 0.78 -0.00 0.00 0.00 178.44 180.69 1pyv h ASN 48 N 0.22 1.08 -0.65 -0.43 2.35 0.26 -2.17 115.58 116.25 1pyv h ASN 48 Ca -0.03 -0.15 -0.04 0.00 -0.55 0.00 0.00 56.30 55.52 1pyv h ASN 48 Cb 1.30 -0.28 -0.03 0.00 0.05 0.00 0.00 38.32 39.36 1pyv h ASN 48 CO 0.12 0.94 0.24 0.03 -1.65 0.00 0.00 177.43 177.11 1pyv h ARG 49 N 1.15 1.01 -0.97 0.81 -0.00 -1.49 0.63 114.38 115.53 1pyv h ARG 49 Ca 0.27 -0.18 0.18 0.00 -0.50 0.00 0.00 59.98 59.75 1pyv h ARG 49 Cb 0.18 -0.16 -0.09 0.00 0.00 0.00 0.00 29.97 29.90 1pyv h ARG 49 CO -0.03 0.84 0.61 0.00 0.00 0.00 0.00 179.97 181.40 1pyv h ALA 50 N 1.28 1.82 0.00 0.04 0.00 -1.18 0.41 119.26 121.63 1pyv h ALA 50 Ca 0.22 0.05 -0.18 0.00 0.00 0.00 0.00 54.91 55.00 1pyv h ALA 50 Cb 0.23 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 1pyv h ALA 50 CO -0.01 -0.14 -1.08 0.28 0.00 0.00 0.00 179.25 178.30 1pyv h VAL 51 N 0.69 1.02 0.29 0.00 2.07 -1.26 -3.34 116.25 115.73 1pyv h VAL 51 Ca 0.53 -2.60 0.00 0.00 0.82 0.00 0.00 66.70 65.45 1pyv h VAL 51 Cb 0.91 2.45 -0.02 0.00 -1.52 0.00 0.00 31.29 33.11 1pyv h VAL 51 CO -0.29 0.58 -0.30 -0.61 0.02 0.00 0.00 177.57 176.97 1pyv h GLN 52 N 0.00 -0.61 0.00 1.57 -0.00 0.21 -3.52 115.11 112.76 1pyv h GLN 52 Ca -0.09 0.04 0.00 0.00 -0.00 0.00 0.00 58.65 58.60 1pyv h GLN 52 Cb 1.65 0.14 0.00 0.00 0.00 0.00 0.00 27.48 29.27 1pyv h GLN 52 CO 0.08 -0.40 0.00 2.48 0.00 0.00 0.00 178.83 180.99