#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 0.04 0.08 0.00 1.04 -1.26 -4.99 113.70 108.60 1pyv s SER 2 Ca 0.00 0.07 0.22 0.00 0.48 0.00 0.00 55.95 56.72 1pyv s SER 2 Cb 0.00 1.27 -0.15 0.00 0.10 0.00 0.00 66.02 67.24 1pyv s SER 2 CO 0.00 -0.32 0.79 -2.11 0.98 0.00 0.00 173.24 172.58 1pyv n ARG 3 N 5.37 0.58 0.05 4.02 0.00 -1.26 -3.01 116.66 122.41 1pyv n ARG 3 Ca -0.01 -0.04 -0.15 0.00 -0.00 0.00 0.00 57.85 57.65 1pyv n ARG 3 Cb 0.50 -1.66 -0.14 0.00 -0.00 0.00 0.00 32.46 31.17 1pyv n ARG 3 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.63 177.54 1pyv h ARG 4 N 0.00 0.20 0.00 2.89 9.65 -2.00 -3.13 114.38 121.99 1pyv h ARG 4 Ca 0.00 -0.34 -0.10 0.00 -1.10 0.00 0.00 59.98 58.44 1pyv h ARG 4 Cb 0.96 0.13 -0.02 0.00 -1.39 0.00 0.00 29.97 29.65 1pyv h ARG 4 CO 0.00 1.03 -0.61 -0.07 2.80 0.00 0.00 179.97 183.12 1pyv h LEU 5 N 0.05 0.00 -0.84 3.80 3.38 -1.98 -3.10 115.31 116.63 1pyv h LEU 5 Ca -0.24 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.66 1pyv h LEU 5 Cb 2.00 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.74 1pyv h LEU 5 CO 0.15 0.46 -0.33 0.25 0.09 0.00 0.00 178.44 179.06 1pyv h LEU 6 N 0.00 0.00 0.24 1.67 5.85 -1.62 -2.31 115.31 119.14 1pyv h LEU 6 Ca -0.03 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.68 1pyv h LEU 6 Cb 1.38 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.41 1pyv h LEU 6 CO 0.06 0.33 -0.12 0.00 -0.34 0.00 0.00 178.44 178.37 1pyv h ALA 7 N 1.67 -0.33 -0.75 1.25 0.00 -1.49 -2.75 119.26 116.87 1pyv h ALA 7 Ca -0.00 -0.11 0.21 0.00 0.00 0.00 0.00 54.91 55.00 1pyv h ALA 7 Cb 0.92 0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.80 1pyv h ALA 7 CO 0.04 -0.32 0.53 1.03 0.00 0.00 0.00 179.25 180.54 1pyv h SER 8 N -1.06 0.07 -0.14 0.00 0.87 -1.58 1.63 113.55 113.35 1pyv h SER 8 Ca -0.03 0.01 -0.11 0.00 -1.23 0.00 0.00 61.79 60.43 1pyv h SER 8 Cb 0.34 -0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 62.28 1pyv h SER 8 CO 0.05 0.03 -0.25 -0.07 -0.53 0.00 0.00 176.83 176.06 1pyv h LEU 9 N 0.07 0.60 0.00 2.23 -0.00 -1.43 0.12 115.31 116.90 1pyv h LEU 9 Ca 0.36 -0.21 -0.11 0.00 -0.00 0.00 0.00 57.88 57.91 1pyv h LEU 9 Cb 1.33 -0.16 -0.02 0.00 -0.00 0.00 0.00 40.66 41.81 1pyv h LEU 9 CO -0.03 0.84 -0.65 0.25 -0.00 0.00 0.00 178.44 178.85 1pyv h LEU 10 N 0.52 0.00 -1.77 1.67 6.46 0.67 -3.07 115.31 119.79 1pyv h LEU 10 Ca 0.07 -0.66 0.00 0.00 -0.12 0.00 0.00 57.88 57.17 1pyv h LEU 10 Cb 0.71 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.64 1pyv h LEU 10 CO 0.05 1.21 0.10 0.08 -0.62 0.00 0.00 178.44 179.27 1pyv h ARG 11 N -1.00 0.00 0.12 1.25 0.11 0.20 0.72 114.38 115.78 1pyv h ARG 11 Ca -0.17 0.00 -0.27 0.00 0.10 0.00 0.00 59.98 59.64 1pyv h ARG 11 Cb 1.08 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.16 1pyv h ARG 11 CO -0.10 0.00 -1.35 0.37 0.10 0.00 0.00 179.97 178.98 1pyv h GLN 12 N 0.00 0.26 0.00 0.08 4.15 -1.05 -3.11 115.11 115.45 1pyv h GLN 12 Ca 0.00 -0.45 -0.16 0.00 0.77 0.00 0.00 58.65 58.81 1pyv h GLN 12 Cb 0.21 0.17 -0.02 0.00 0.21 0.00 0.00 27.48 28.04 1pyv h GLN 12 CO 0.00 1.21 -0.79 1.03 -1.93 0.00 0.00 178.83 178.36 1pyv h SER 13 N -0.29 0.00 -0.61 -0.69 0.87 -0.91 -2.96 113.55 108.97 1pyv h SER 13 Ca -0.29 0.00 -0.08 0.00 -1.23 0.00 0.00 61.79 60.20 1pyv h SER 13 Cb 1.77 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 63.70 1pyv h SER 13 CO 0.08 0.79 0.08 0.00 -0.53 0.00 0.00 176.83 177.24 1pyv h ALA 14 N 1.21 0.81 0.00 6.23 0.00 0.23 -1.27 119.26 126.47 1pyv h ALA 14 Ca -0.01 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.63 1pyv h ALA 14 Cb 1.41 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1pyv h ALA 14 CO 0.10 0.58 0.00 0.00 0.00 0.00 0.00 179.25 179.93 1pyv n GLN 15 N -4.27 0.07 -3.23 0.00 10.64 -1.17 -3.81 117.38 115.62 1pyv n GLN 15 Ca 0.03 0.12 -0.24 0.00 -1.83 0.00 0.00 57.00 55.08 1pyv n GLN 15 Cb 0.29 -1.50 -0.07 0.00 -0.86 0.00 0.00 30.24 28.10 1pyv n GLN 15 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.06 175.77 1pyv n ARG 16 N -1.45 0.80 -0.34 2.61 1.74 -0.52 -4.98 116.66 114.52 1pyv n ARG 16 Ca 0.06 -3.32 0.10 0.00 -0.77 0.00 0.00 57.85 53.92 1pyv n ARG 16 Cb 0.23 -1.32 0.21 0.00 -1.02 0.00 0.00 32.46 30.56 1pyv n ARG 16 CO 0.00 0.00 0.00 0.78 -1.52 0.00 0.00 177.63 176.89 1pyv h GLY 17 N 4.15 0.98 0.00 -0.13 0.00 -1.55 -2.79 103.07 103.72 1pyv h GLY 17 Ca 0.10 0.23 0.00 0.00 0.00 0.00 0.00 47.33 47.66 1pyv h GLY 17 CO 0.48 -0.44 0.00 0.61 0.00 0.00 0.00 176.54 177.19 1pyv n GLY 18 N -1.55 -1.92 0.56 4.60 0.00 -1.26 -4.99 105.19 100.64 1pyv n GLY 18 Ca 0.19 0.39 0.00 0.00 0.00 0.00 0.00 46.02 46.60 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 -0.50 -3.63 0.10 -0.02 0.00 -1.06 -4.79 105.19 95.30 1pyv n GLY 19 Ca 0.00 -0.76 -0.13 0.00 0.00 0.00 0.00 46.02 45.13 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 0.07 0.19 0.00 0.99 -0.00 -1.94 -3.29 115.31 111.34 1pyv h LEU 20 Ca 0.00 -0.35 0.00 0.00 -0.00 0.00 0.00 57.88 57.53 1pyv h LEU 20 Cb 0.00 -0.06 0.00 0.00 -0.00 0.00 0.00 40.66 40.60 1pyv h LEU 20 CO 0.00 1.30 -0.02 -0.38 -0.00 0.00 0.00 178.44 179.35 1pyv n ILE 21 N -3.27 0.52 0.44 0.15 5.41 -1.26 0.30 119.36 121.65 1pyv n ILE 21 Ca -0.18 -0.25 0.13 0.00 1.00 0.00 0.00 62.75 63.44 1pyv n ILE 21 Cb 1.04 -0.56 0.36 0.00 -0.71 0.00 0.00 39.64 39.77 1pyv n ILE 21 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 176.55 176.83 1pyv h SER 22 N 0.00 0.00 0.00 4.38 0.02 -1.87 -2.55 113.55 113.53 1pyv h SER 22 Ca 0.00 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 60.91 1pyv h SER 22 Cb 0.71 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.25 1pyv h SER 22 CO 0.00 0.00 -1.15 -2.11 -1.14 0.00 0.00 176.83 172.43 1pyv n ARG 23 N -2.61 0.78 -0.00 3.45 1.85 -1.12 -3.85 116.66 115.17 1pyv n ARG 23 Ca 0.04 0.01 -0.12 0.00 -1.00 0.00 0.00 57.85 56.78 1pyv n ARG 23 Cb 0.43 -1.05 -0.08 0.00 -1.05 0.00 0.00 32.46 30.71 1pyv n ARG 23 CO 0.00 0.00 0.00 0.77 -0.01 0.00 0.00 177.63 178.39 1pyv h SER 24 N 0.00 0.07 1.36 2.89 0.02 -0.28 -2.44 113.55 115.16 1pyv h SER 24 Ca -0.06 -0.23 -0.05 0.00 -0.84 0.00 0.00 61.79 60.61 1pyv h SER 24 Cb 1.10 -0.02 -0.01 0.00 0.14 0.00 0.00 62.40 63.62 1pyv h SER 24 CO -0.01 0.28 -0.66 -0.07 -1.14 0.00 0.00 176.83 175.23 1pyv h LEU 25 N -0.15 0.00 -2.10 5.07 3.38 -1.64 -3.25 115.31 116.63 1pyv h LEU 25 Ca 0.01 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 1pyv h LEU 25 Cb 0.24 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.99 1pyv h LEU 25 CO 0.00 0.18 -0.07 1.23 0.09 0.00 0.00 178.44 179.87 1pyv h GLY 26 N 3.86 0.00 1.71 0.83 0.00 -1.54 0.22 103.07 108.15 1pyv h GLY 26 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.30 1pyv h GLY 26 CO 0.02 0.00 0.13 3.43 0.00 0.00 0.00 176.54 180.12 1pyv h ASN 27 N 0.00 0.00 0.00 0.19 4.21 -1.47 -3.34 115.58 115.16 1pyv h ASN 27 Ca -0.00 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.51 1pyv h ASN 27 Cb 0.27 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.47 1pyv h ASN 27 CO 0.01 0.00 0.00 -1.54 -1.29 0.00 0.00 177.43 174.61 1pyv n SER 28 N -2.74 0.00 -0.10 5.81 3.41 -0.57 -5.03 113.62 114.40 1pyv n SER 28 Ca -0.02 0.00 -0.06 0.00 -0.26 0.00 0.00 58.87 58.52 1pyv n SER 28 Cb 0.18 0.00 -0.00 0.00 -0.26 0.00 0.00 64.21 64.13 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 0.00 0.39 0.00 -1.33 2.04 -0.75 1.00 117.51 118.86 1pyv h ILE 29 Ca 0.00 0.00 -0.56 0.00 1.00 0.00 0.00 64.86 65.30 1pyv h ILE 29 Cb 0.00 0.39 0.02 0.00 -0.74 0.00 0.00 36.82 36.49 1pyv h ILE 29 CO 0.00 0.00 3.00 -0.81 0.00 0.00 0.00 178.15 180.34 1pyv n PRO 30 N -5.38 2.57 0.00 2.37 -0.04 -1.26 -2.03 135.00 131.22 1pyv n PRO 30 Ca 0.01 -1.93 0.00 0.00 -0.04 0.00 0.00 63.50 61.55 1pyv n PRO 30 Cb 0.29 -2.77 0.00 0.00 -0.04 0.00 0.00 33.50 30.98 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 4.85 0.00 -0.19 0.54 4.76 -1.02 -4.96 118.16 122.14 1pyv n LYS 31 Ca 0.56 0.00 -0.08 0.00 -2.87 0.00 0.00 58.31 55.93 1pyv n LYS 31 Cb 0.25 0.00 0.02 0.00 -1.84 0.00 0.00 35.03 33.46 1pyv n LYS 31 CO 0.00 0.00 0.00 0.77 -1.37 0.00 0.00 177.40 176.80 1pyv h SER 32 N 0.00 0.73 0.21 4.39 0.02 0.10 -0.47 113.55 118.53 1pyv h SER 32 Ca 0.00 -0.16 0.00 0.00 -0.84 0.00 0.00 61.79 60.79 1pyv h SER 32 Cb 0.00 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 62.35 1pyv h SER 32 CO 0.00 0.68 0.00 0.00 -1.14 0.00 0.00 176.83 176.37 1pyv h ALA 33 N 1.07 1.00 -0.90 3.77 0.00 -1.52 0.32 119.26 123.00 1pyv h ALA 33 Ca 0.18 0.00 -0.53 0.00 0.00 0.00 0.00 54.91 54.56 1pyv h ALA 33 Cb 0.17 0.00 -0.28 0.00 0.00 0.00 0.00 17.79 17.68 1pyv h ALA 33 CO -0.02 0.00 0.55 0.43 0.00 0.00 0.00 179.25 180.22 1pyv n SER 34 N -2.32 5.05 0.00 0.00 7.64 -0.19 -4.40 113.62 119.40 1pyv n SER 34 Ca -0.01 -3.71 0.00 0.00 1.01 0.00 0.00 58.87 56.17 1pyv n SER 34 Cb 0.09 -0.83 0.00 0.00 -1.01 0.00 0.00 64.21 62.46 1pyv n SER 34 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1pyv n ARG 35 N -1.04 0.00 0.00 1.43 5.12 -0.15 -4.98 116.66 117.04 1pyv n ARG 35 Ca 0.57 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.49 1pyv n ARG 35 Cb 1.20 -0.07 0.00 0.00 -1.16 0.00 0.00 32.46 32.43 1pyv n ARG 35 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1pyv n ALA 36 N -1.96 0.00 0.00 7.54 0.00 -0.08 -5.00 120.51 121.01 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 0.00 0.00 0.00 2.88 -1.26 -4.86 113.62 110.37 1pyv n SER 37 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1pyv n SER 37 Cb 0.00 0.79 0.00 0.00 -0.75 0.00 0.00 64.21 64.25 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 -1.56 0.00 0.03 -3.46 2.88 -1.26 -3.94 113.62 106.32 1pyv n SER 38 Ca 0.00 0.00 -0.12 0.00 -1.33 0.00 0.00 58.87 57.42 1pyv n SER 38 Cb 0.00 0.00 -0.14 0.00 -0.75 0.00 0.00 64.21 63.32 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 0.12 -0.47 -1.46 3.08 -2.01 -3.26 114.38 110.37 1pyv h ARG 39 Ca 0.00 -0.21 0.00 0.00 0.07 0.00 0.00 59.98 59.84 1pyv h ARG 39 Cb 0.00 0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.13 1pyv h ARG 39 CO 0.00 0.91 0.00 0.00 -1.07 0.00 0.00 179.97 179.81 1pyv n ALA 40 N -2.58 2.43 -0.05 0.04 0.00 -1.25 -3.87 120.51 115.23 1pyv n ALA 40 Ca -0.14 -0.86 -0.12 0.00 0.00 0.00 0.00 53.44 52.33 1pyv n ALA 40 Cb 1.02 -0.97 -0.10 0.00 0.00 0.00 0.00 19.45 19.41 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 2.97 -0.02 0.41 0.00 0.02 -1.82 0.64 113.55 115.73 1pyv h SER 41 Ca 0.00 -0.73 -0.20 0.00 -0.84 0.00 0.00 61.79 60.03 1pyv h SER 41 Cb 0.67 0.01 -0.01 0.00 0.14 0.00 0.00 62.40 63.22 1pyv h SER 41 CO 0.00 0.80 -0.84 1.55 -1.14 0.00 0.00 176.83 177.20 1pyv h PRO 42 N -0.92 0.32 0.00 3.45 0.13 -1.74 -3.18 132.00 130.06 1pyv h PRO 42 Ca -0.00 -0.31 -0.18 0.00 -0.87 0.00 0.00 66.00 64.64 1pyv h PRO 42 Cb 0.75 0.08 -0.03 0.00 0.13 0.00 0.00 31.00 31.93 1pyv h PRO 42 CO 0.00 0.99 -1.12 0.87 -0.23 0.00 0.00 178.00 178.52 1pyv h LYS 43 N 0.19 0.00 -0.19 0.86 1.79 -1.70 -3.36 116.57 114.16 1pyv h LYS 43 Ca -0.05 0.00 0.04 0.00 -2.18 0.00 0.00 60.65 58.46 1pyv h LYS 43 Cb 1.44 0.00 -0.07 0.00 -1.58 0.00 0.00 32.23 32.02 1pyv h LYS 43 CO 0.14 0.52 -0.50 0.78 -1.08 0.00 0.00 179.45 179.31 1pyv h GLY 44 N 3.48 -0.91 -0.94 3.86 0.00 0.32 0.85 103.07 109.73 1pyv h GLY 44 Ca -0.11 0.63 0.41 0.00 0.00 0.00 0.00 47.33 48.26 1pyv h GLY 44 CO 0.07 -0.20 0.93 -2.75 0.00 0.00 0.00 176.54 174.59 1pyv h PHE 45 N -0.52 0.34 0.07 5.60 3.04 -1.71 1.87 116.94 125.63 1pyv h PHE 45 Ca 0.06 0.01 -0.29 0.00 3.98 0.00 0.00 57.97 61.73 1pyv h PHE 45 Cb 0.65 -0.09 -0.02 0.00 2.56 0.00 0.00 35.95 39.05 1pyv h PHE 45 CO -0.58 -0.08 -1.51 1.25 -2.02 0.00 0.00 178.31 175.38 1pyv h LEU 46 N 0.11 0.25 -1.03 0.59 5.85 -0.82 -3.07 115.31 117.18 1pyv h LEU 46 Ca 0.75 -0.36 -0.05 0.00 0.84 0.00 0.00 57.88 59.05 1pyv h LEU 46 Cb 2.55 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 43.49 1pyv h LEU 46 CO -0.23 1.31 -0.24 -0.07 -0.34 0.00 0.00 178.44 178.86 1pyv h LEU 47 N 0.04 0.00 -0.02 2.25 -0.00 0.89 -2.38 115.31 116.09 1pyv h LEU 47 Ca -0.22 0.00 -0.26 0.00 -0.00 0.00 0.00 57.88 57.39 1pyv h LEU 47 Cb 1.98 0.00 0.02 0.00 -0.00 0.00 0.00 40.66 42.66 1pyv h LEU 47 CO 0.14 0.24 -1.03 -1.13 -0.00 0.00 0.00 178.44 176.66 1pyv h ASN 48 N 0.00 0.88 0.70 -0.43 -0.73 0.21 -3.07 115.58 113.14 1pyv h ASN 48 Ca -0.00 -0.70 -0.04 0.00 1.87 0.00 0.00 56.30 57.43 1pyv h ASN 48 Cb 0.79 -0.27 -0.01 0.00 0.27 0.00 0.00 38.32 39.11 1pyv h ASN 48 CO 0.03 1.50 -0.17 0.03 -0.37 0.00 0.00 177.43 178.45 1pyv h ARG 49 N 0.39 0.00 -0.19 6.67 2.47 -1.40 -0.67 114.38 121.64 1pyv h ARG 49 Ca -0.12 0.00 -0.12 0.00 -1.26 0.00 0.00 59.98 58.48 1pyv h ARG 49 Cb 1.68 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 29.99 1pyv h ARG 49 CO 0.20 0.17 -0.40 0.00 0.56 0.00 0.00 179.97 180.51 1pyv h ALA 50 N 1.83 0.96 0.00 0.04 0.00 -1.34 -2.32 119.26 118.42 1pyv h ALA 50 Ca -0.00 -0.43 -0.16 0.00 0.00 0.00 0.00 54.91 54.33 1pyv h ALA 50 Cb 0.57 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 1pyv h ALA 50 CO 0.02 0.62 -0.98 -0.24 0.00 0.00 0.00 179.25 178.68 1pyv h VAL 51 N 0.37 0.89 0.49 0.00 3.04 -1.36 -3.33 116.25 116.35 1pyv h VAL 51 Ca 0.03 -2.39 -0.02 0.00 -1.01 0.00 0.00 66.70 63.31 1pyv h VAL 51 Cb 0.86 2.37 0.00 0.00 -2.01 0.00 0.00 31.29 32.51 1pyv h VAL 51 CO 0.07 0.51 -0.24 -0.61 -1.01 0.00 0.00 177.57 176.29 1pyv h GLN 52 N 0.00 -0.64 -0.01 4.17 -0.00 -0.83 -3.52 115.11 114.28 1pyv h GLN 52 Ca -0.08 0.04 0.00 0.00 -0.00 0.00 0.00 58.65 58.62 1pyv h GLN 52 Cb 1.56 0.15 0.00 0.00 0.00 0.00 0.00 27.48 29.19 1pyv h GLN 52 CO 0.07 -0.39 0.00 0.98 0.00 0.00 0.00 178.83 179.49