#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 -6.22 0.26 0.00 3.41 -1.26 -4.91 113.62 104.90 1pyv n SER 2 Ca 0.00 -0.76 -0.11 0.00 -0.26 0.00 0.00 58.87 57.74 1pyv n SER 2 Cb 0.00 -4.37 -0.05 0.00 -0.26 0.00 0.00 64.21 59.53 1pyv n SER 2 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 1pyv h ARG 3 N -1.18 -0.70 -0.14 4.33 2.47 -2.02 -2.67 114.38 114.48 1pyv h ARG 3 Ca -0.56 0.05 0.04 0.00 -1.26 0.00 0.00 59.98 58.25 1pyv h ARG 3 Cb 1.29 0.16 -0.01 0.00 -1.65 0.00 0.00 29.97 29.77 1pyv h ARG 3 CO 0.44 -0.46 0.18 0.00 0.56 0.00 0.00 179.97 180.69 1pyv h ARG 4 N -1.16 0.00 -0.39 0.04 3.08 -2.02 0.20 114.38 114.12 1pyv h ARG 4 Ca -0.07 0.00 -0.12 0.00 0.07 0.00 0.00 59.98 59.86 1pyv h ARG 4 Cb 0.55 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.59 1pyv h ARG 4 CO 0.12 0.00 -0.24 1.25 -1.07 0.00 0.00 179.97 180.03 1pyv h LEU 5 N 0.00 0.81 -2.37 3.04 5.85 -1.91 -2.07 115.31 118.67 1pyv h LEU 5 Ca 0.07 -0.30 0.03 0.00 0.84 0.00 0.00 57.88 58.51 1pyv h LEU 5 Cb 0.43 -0.22 -0.00 0.00 0.37 0.00 0.00 40.66 41.24 1pyv h LEU 5 CO -0.00 1.02 0.12 0.25 -0.34 0.00 0.00 178.44 179.49 1pyv h LEU 6 N 0.69 0.00 0.27 2.25 6.46 -0.25 0.00 115.31 124.73 1pyv h LEU 6 Ca 0.09 0.00 -0.01 0.00 -0.12 0.00 0.00 57.88 57.84 1pyv h LEU 6 Cb 0.76 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.70 1pyv h LEU 6 CO 0.06 0.00 -0.13 0.00 -0.62 0.00 0.00 178.44 177.75 1pyv h ALA 7 N 1.85 -0.92 -0.78 1.25 0.00 -1.36 -0.31 119.26 118.99 1pyv h ALA 7 Ca 0.04 -0.08 0.12 0.00 0.00 0.00 0.00 54.91 54.99 1pyv h ALA 7 Cb 0.28 0.14 -0.05 0.00 0.00 0.00 0.00 17.79 18.15 1pyv h ALA 7 CO -0.00 -0.89 0.51 1.03 0.00 0.00 0.00 179.25 179.90 1pyv h SER 8 N -0.41 0.56 -0.98 0.00 0.87 -1.51 0.17 113.55 112.26 1pyv h SER 8 Ca -0.04 0.02 0.03 0.00 -1.23 0.00 0.00 61.79 60.57 1pyv h SER 8 Cb 0.27 -0.09 -0.05 0.00 -0.44 0.00 0.00 62.40 62.09 1pyv h SER 8 CO 0.06 0.32 0.64 -0.07 -0.53 0.00 0.00 176.83 177.25 1pyv h LEU 9 N 0.61 1.09 0.11 2.23 3.38 -0.92 0.23 115.31 122.05 1pyv h LEU 9 Ca 0.37 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.32 1pyv h LEU 9 Cb 0.60 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.09 1pyv h LEU 9 CO -0.14 0.76 -0.06 0.25 0.09 0.00 0.00 178.44 179.34 1pyv h LEU 10 N 1.27 -0.13 -1.81 1.67 7.12 0.11 -1.93 115.31 121.61 1pyv h LEU 10 Ca 0.38 -0.40 0.20 0.00 0.13 0.00 0.00 57.88 58.19 1pyv h LEU 10 Cb -0.04 0.03 -0.04 0.00 -0.53 0.00 0.00 40.66 40.08 1pyv h LEU 10 CO -0.11 0.37 0.54 0.03 -0.13 0.00 0.00 178.44 179.14 1pyv h ARG 11 N -0.68 0.17 -0.18 1.25 3.08 -0.67 1.52 114.38 118.86 1pyv h ARG 11 Ca -0.02 -0.01 -0.18 0.00 0.07 0.00 0.00 59.98 59.84 1pyv h ARG 11 Cb 0.52 -0.04 0.01 0.00 0.08 0.00 0.00 29.97 30.54 1pyv h ARG 11 CO 0.03 0.11 -0.60 1.96 -1.07 0.00 0.00 179.97 180.40 1pyv h GLN 12 N 0.17 0.72 0.01 0.04 1.08 -0.42 -0.97 115.11 115.74 1pyv h GLN 12 Ca 0.38 -0.54 -0.20 0.00 -1.45 0.00 0.00 58.65 56.84 1pyv h GLN 12 Cb 1.24 0.10 -0.01 0.00 -0.05 0.00 0.00 27.48 28.75 1pyv h GLN 12 CO -0.07 1.16 -0.88 0.66 -0.95 0.00 0.00 178.83 178.74 1pyv h SER 13 N 0.43 0.24 -0.31 1.46 4.64 0.15 0.22 113.55 120.38 1pyv h SER 13 Ca -0.02 -0.20 -0.06 0.00 -0.47 0.00 0.00 61.79 61.03 1pyv h SER 13 Cb 1.22 -0.07 -0.01 0.00 -0.31 0.00 0.00 62.40 63.23 1pyv h SER 13 CO 0.13 1.01 -0.06 0.00 -0.87 0.00 0.00 176.83 177.04 1pyv h ALA 14 N 0.97 0.42 0.00 5.18 0.00 0.20 -2.81 119.26 123.23 1pyv h ALA 14 Ca -0.04 -0.27 -0.08 0.00 0.00 0.00 0.00 54.91 54.52 1pyv h ALA 14 Cb 1.52 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 19.19 1pyv h ALA 14 CO 0.13 0.23 -0.37 -0.56 0.00 0.00 0.00 179.25 178.69 1pyv h GLN 15 N 0.35 0.00 -6.48 0.00 3.07 -1.18 -3.48 115.11 107.39 1pyv h GLN 15 Ca 0.08 0.00 -0.43 0.00 0.09 0.00 0.00 58.65 58.39 1pyv h GLN 15 Cb 0.53 0.00 0.01 0.00 0.08 0.00 0.00 27.48 28.10 1pyv h GLN 15 CO 0.03 0.37 -1.05 2.89 0.09 0.00 0.00 178.83 181.15 1pyv n ARG 16 N -3.31 -1.53 -0.02 0.06 1.85 0.06 -4.88 116.66 108.89 1pyv n ARG 16 Ca 0.01 0.88 -0.15 0.00 -1.00 0.00 0.00 57.85 57.59 1pyv n ARG 16 Cb 0.60 -1.95 -0.12 0.00 -1.05 0.00 0.00 32.46 29.94 1pyv n ARG 16 CO 0.00 0.00 0.00 0.78 -0.01 0.00 0.00 177.63 178.40 1pyv h GLY 17 N 0.50 0.20 0.00 2.89 0.00 -1.90 -3.45 103.07 101.31 1pyv h GLY 17 Ca -0.57 -0.35 0.00 0.00 0.00 0.00 0.00 47.33 46.41 1pyv h GLY 17 CO 0.30 0.31 0.00 0.61 0.00 0.00 0.00 176.54 177.76 1pyv n GLY 18 N 1.09 0.03 0.00 4.60 0.00 -1.26 -5.09 105.19 104.55 1pyv n GLY 18 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.92 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 3.44 -0.86 0.26 -0.02 0.00 -1.26 -4.93 105.19 101.82 1pyv n GLY 19 Ca 0.00 0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.13 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 0.00 0.44 -1.81 0.99 -0.00 -1.99 -3.17 115.31 109.78 1pyv h LEU 20 Ca 0.00 -0.08 0.00 0.00 -0.00 0.00 0.00 57.88 57.80 1pyv h LEU 20 Cb 0.00 -0.11 0.00 0.00 -0.00 0.00 0.00 40.66 40.55 1pyv h LEU 20 CO 0.00 0.53 0.00 -0.38 -0.00 0.00 0.00 178.44 178.59 1pyv n ILE 21 N -4.27 0.41 0.00 0.15 2.08 -1.26 -4.37 119.36 112.10 1pyv n ILE 21 Ca 0.01 -0.42 0.00 0.00 0.56 0.00 0.00 62.75 62.90 1pyv n ILE 21 Cb 0.25 0.81 0.00 0.00 -0.75 0.00 0.00 39.64 39.95 1pyv n ILE 21 CO 0.00 0.00 0.00 -1.20 0.56 0.00 0.00 176.55 175.91 1pyv n SER 22 N -0.21 0.00 -0.00 4.38 7.64 -1.20 -4.04 113.62 120.19 1pyv n SER 22 Ca 0.00 0.16 0.00 0.00 1.01 0.00 0.00 58.87 60.04 1pyv n SER 22 Cb 0.39 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.59 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 -0.30 2.90 0.00 1.43 0.00 -1.26 -4.48 116.66 114.95 1pyv n ARG 23 Ca 0.00 -1.52 0.00 0.00 -0.00 0.00 0.00 57.85 56.33 1pyv n ARG 23 Cb 0.00 -1.01 0.00 0.00 -0.00 0.00 0.00 32.46 31.45 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 -0.52 0.00 -2.12 2.89 7.64 -1.26 -3.87 113.62 116.38 1pyv n SER 24 Ca 0.00 0.00 -0.17 0.00 1.01 0.00 0.00 58.87 59.72 1pyv n SER 24 Cb 0.27 0.00 -0.09 0.00 -1.01 0.00 0.00 64.21 63.38 1pyv n SER 24 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 1pyv n LEU 25 N 0.00 5.84 0.00 -3.43 -0.00 -1.26 -3.64 117.00 114.51 1pyv n LEU 25 Ca 0.00 -3.45 0.00 0.00 -0.00 0.00 0.00 56.01 52.56 1pyv n LEU 25 Cb 0.00 -1.28 0.00 0.00 -0.00 0.00 0.00 43.42 42.14 1pyv n LEU 25 CO 0.00 1.59 0.00 0.61 -0.00 0.00 0.00 177.39 179.59 1pyv n GLY 26 N 1.57 -0.09 0.37 -3.96 0.00 -1.26 -4.69 105.19 97.13 1pyv n GLY 26 Ca 0.40 0.01 0.17 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 -2.01 1.61 -1.24 -1.67 -1.90 115.58 110.36 1pyv h ASN 27 Ca 0.00 0.00 -0.51 0.00 0.71 0.00 0.00 56.30 56.50 1pyv h ASN 27 Cb 0.00 0.00 -0.40 0.00 0.73 0.00 0.00 38.32 38.65 1pyv h ASN 27 CO 0.00 0.00 -1.14 -1.20 -1.29 0.00 0.00 177.43 173.80 1pyv n SER 28 N -3.17 0.80 -0.17 1.15 7.64 -1.26 -4.94 113.62 113.67 1pyv n SER 28 Ca 0.03 -2.94 -0.06 0.00 1.01 0.00 0.00 58.87 56.92 1pyv n SER 28 Cb 0.60 -0.63 0.04 0.00 -1.01 0.00 0.00 64.21 63.21 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 1.44 1.05 -0.02 0.44 2.04 -1.62 1.98 117.51 122.82 1pyv h ILE 29 Ca 0.09 -0.21 -0.09 0.00 1.00 0.00 0.00 64.86 65.65 1pyv h ILE 29 Cb 0.92 0.39 0.01 0.00 -0.74 0.00 0.00 36.82 37.39 1pyv h ILE 29 CO 0.50 0.11 -0.34 1.55 0.00 0.00 0.00 178.15 179.97 1pyv h PRO 30 N 0.61 0.27 0.67 2.37 0.13 -1.92 -2.48 132.00 131.65 1pyv h PRO 30 Ca 0.21 -0.26 -0.03 0.00 -0.87 0.00 0.00 66.00 65.04 1pyv h PRO 30 Cb 0.02 0.07 0.01 0.00 0.13 0.00 0.00 31.00 31.23 1pyv h PRO 30 CO -0.09 0.95 -0.32 0.87 -0.23 0.00 0.00 178.00 179.17 1pyv h LYS 31 N -0.32 -0.87 -0.21 0.86 1.79 -1.90 -2.52 116.57 113.40 1pyv h LYS 31 Ca -0.04 0.06 0.06 0.00 -2.18 0.00 0.00 60.65 58.55 1pyv h LYS 31 Cb 1.05 0.20 -0.01 0.00 -1.58 0.00 0.00 32.23 31.89 1pyv h LYS 31 CO 0.07 -0.58 0.51 0.77 -1.08 0.00 0.00 179.45 179.13 1pyv h SER 32 N -1.10 0.00 0.00 0.86 0.02 0.30 0.77 113.55 114.40 1pyv h SER 32 Ca -0.09 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.86 1pyv h SER 32 Cb 0.69 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.23 1pyv h SER 32 CO 0.15 0.00 0.08 0.00 -1.14 0.00 0.00 176.83 175.92 1pyv h ALA 33 N 1.18 1.07 0.00 3.77 0.00 -0.98 0.52 119.26 124.83 1pyv h ALA 33 Ca 0.10 0.00 -0.16 0.00 0.00 0.00 0.00 54.91 54.85 1pyv h ALA 33 Cb 1.11 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.88 1pyv h ALA 33 CO -0.00 -0.07 -0.75 0.77 0.00 0.00 0.00 179.25 179.20 1pyv h SER 34 N 0.00 0.00 0.04 0.00 0.02 0.47 -3.36 113.55 110.71 1pyv h SER 34 Ca 0.00 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1pyv h SER 34 Cb 0.17 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.71 1pyv h SER 34 CO 0.00 0.75 -0.02 -0.09 -1.14 0.00 0.00 176.83 176.34 1pyv h ARG 35 N 0.00 -0.05 -6.85 3.45 9.65 -0.12 -3.48 114.38 116.99 1pyv h ARG 35 Ca -0.01 0.00 -0.53 0.00 -1.10 0.00 0.00 59.98 58.35 1pyv h ARG 35 Cb 1.50 0.01 -0.01 0.00 -1.39 0.00 0.00 29.97 30.08 1pyv h ARG 35 CO 0.10 -0.03 -1.02 0.00 2.80 0.00 0.00 179.97 181.81 1pyv n ALA 36 N -2.18 -2.65 0.01 2.80 0.00 -1.03 -4.60 120.51 112.87 1pyv n ALA 36 Ca -0.01 -0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.01 1pyv n ALA 36 Cb 0.02 -1.54 0.00 0.00 0.00 0.00 0.00 19.45 17.93 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 -2.25 -0.26 -4.25 0.00 7.64 -1.26 -4.76 113.62 108.48 1pyv n SER 37 Ca -0.21 0.15 -0.30 0.00 1.01 0.00 0.00 58.87 59.51 1pyv n SER 37 Cb 0.60 0.42 -0.08 0.00 -1.01 0.00 0.00 64.21 64.15 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 -2.36 2.31 -2.46 6.43 2.88 -1.26 -3.46 113.62 115.70 1pyv n SER 38 Ca 0.00 -2.62 -0.20 0.00 -1.33 0.00 0.00 58.87 54.71 1pyv n SER 38 Cb 0.00 -1.46 -0.01 0.00 -0.75 0.00 0.00 64.21 61.99 1pyv n SER 38 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1pyv n ARG 39 N 7.95 -2.00 -0.01 -1.46 1.74 -1.26 -4.82 116.66 116.80 1pyv n ARG 39 Ca 0.45 0.98 0.03 0.00 -0.77 0.00 0.00 57.85 58.54 1pyv n ARG 39 Cb 0.45 -5.66 0.03 0.00 -1.02 0.00 0.00 32.46 26.26 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 -2.17 2.46 0.02 7.54 0.00 -1.22 -4.33 120.51 122.80 1pyv n ALA 40 Ca -0.23 -0.59 -0.12 0.00 0.00 0.00 0.00 53.44 52.50 1pyv n ALA 40 Cb 0.68 -0.19 -0.09 0.00 0.00 0.00 0.00 19.45 19.85 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 1.06 -0.10 0.42 0.00 0.02 -1.86 1.46 113.55 114.56 1pyv h SER 41 Ca 0.00 -0.48 -0.19 0.00 -0.84 0.00 0.00 61.79 60.28 1pyv h SER 41 Cb 0.26 0.03 -0.01 0.00 0.14 0.00 0.00 62.40 62.82 1pyv h SER 41 CO 0.00 0.48 -0.82 1.55 -1.14 0.00 0.00 176.83 176.90 1pyv h PRO 42 N -0.74 0.30 0.00 3.45 0.13 -1.94 -3.10 132.00 130.10 1pyv h PRO 42 Ca -0.01 -0.29 -0.02 0.00 -0.87 0.00 0.00 66.00 64.81 1pyv h PRO 42 Cb 0.57 0.07 -0.00 0.00 0.13 0.00 0.00 31.00 31.77 1pyv h PRO 42 CO 0.02 0.97 -0.62 0.87 -0.23 0.00 0.00 178.00 179.01 1pyv h LYS 43 N 0.18 0.00 0.42 0.86 1.79 -1.75 -3.36 116.57 114.71 1pyv h LYS 43 Ca -0.04 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.42 1pyv h LYS 43 Cb 1.43 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 32.06 1pyv h LYS 43 CO 0.13 0.05 -0.37 0.78 -1.08 0.00 0.00 179.45 178.97 1pyv h GLY 44 N 3.95 -0.89 -0.50 3.86 0.00 0.21 0.36 103.07 110.05 1pyv h GLY 44 Ca -0.01 0.42 0.31 0.00 0.00 0.00 0.00 47.33 48.05 1pyv h GLY 44 CO 0.01 -0.32 0.54 -2.75 0.00 0.00 0.00 176.54 174.02 1pyv h PHE 45 N -0.79 0.87 0.00 5.60 3.57 -1.70 1.88 116.94 126.38 1pyv h PHE 45 Ca -0.04 0.04 -0.18 0.00 3.53 0.00 0.00 57.97 61.32 1pyv h PHE 45 Cb 0.70 -0.22 -0.02 0.00 2.79 0.00 0.00 35.95 39.19 1pyv h PHE 45 CO -0.18 -0.17 -0.87 1.25 -2.23 0.00 0.00 178.31 176.11 1pyv h LEU 46 N 0.32 0.06 -0.17 0.59 5.85 -1.57 -3.04 115.31 117.35 1pyv h LEU 46 Ca 0.71 -0.05 -0.14 0.00 0.84 0.00 0.00 57.88 59.25 1pyv h LEU 46 Cb 1.60 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 42.61 1pyv h LEU 46 CO -0.61 0.89 -0.42 -0.07 -0.34 0.00 0.00 178.44 177.89 1pyv h LEU 47 N 0.02 0.67 -0.88 2.25 -0.00 0.64 -2.77 115.31 115.23 1pyv h LEU 47 Ca -0.02 -0.57 0.12 0.00 -0.00 0.00 0.00 57.88 57.40 1pyv h LEU 47 Cb 1.52 -0.19 -0.08 0.00 -0.00 0.00 0.00 40.66 41.90 1pyv h LEU 47 CO 0.12 1.12 0.51 -1.13 -0.00 0.00 0.00 178.44 179.06 1pyv h ASN 48 N 0.24 0.71 -0.74 -0.43 -1.24 0.20 0.27 115.58 114.59 1pyv h ASN 48 Ca -0.00 0.06 -0.02 0.00 0.71 0.00 0.00 56.30 57.05 1pyv h ASN 48 Cb 1.03 -0.08 -0.04 0.00 0.73 0.00 0.00 38.32 39.97 1pyv h ASN 48 CO 0.09 0.37 0.41 0.03 -1.29 0.00 0.00 177.43 177.04 1pyv h ARG 49 N 0.81 1.04 0.07 6.67 2.47 -1.44 -2.32 114.38 121.67 1pyv h ARG 49 Ca 0.44 -0.12 -0.00 0.00 -1.26 0.00 0.00 59.98 59.04 1pyv h ARG 49 Cb 0.48 -0.20 0.00 0.00 -1.65 0.00 0.00 29.97 28.59 1pyv h ARG 49 CO -0.28 0.77 -0.03 0.00 0.56 0.00 0.00 179.97 180.99 1pyv h ALA 50 N 1.21 -0.10 -1.19 0.04 0.00 -0.66 -2.34 119.26 116.22 1pyv h ALA 50 Ca 0.26 -0.12 0.34 0.00 0.00 0.00 0.00 54.91 55.39 1pyv h ALA 50 Cb 0.04 0.04 -0.09 0.00 0.00 0.00 0.00 17.79 17.78 1pyv h ALA 50 CO -0.04 -0.44 0.80 0.28 0.00 0.00 0.00 179.25 179.84 1pyv h VAL 51 N -0.32 0.38 -0.37 0.00 2.07 -0.32 -0.73 116.25 116.96 1pyv h VAL 51 Ca -0.01 -0.07 0.04 0.00 0.82 0.00 0.00 66.70 67.48 1pyv h VAL 51 Cb 0.28 0.17 -0.06 0.00 -1.52 0.00 0.00 31.29 30.15 1pyv h VAL 51 CO 0.02 0.04 -0.40 -0.61 0.02 0.00 0.00 177.57 176.63 1pyv h GLN 52 N 0.19 -0.22 0.00 1.57 -0.00 -0.86 -3.51 115.11 112.28 1pyv h GLN 52 Ca 0.65 0.01 0.00 0.00 -0.00 0.00 0.00 58.65 59.31 1pyv h GLN 52 Cb 2.06 0.05 0.00 0.00 0.00 0.00 0.00 27.48 29.59 1pyv h GLN 52 CO -0.22 -0.14 0.00 2.48 0.00 0.00 0.00 178.83 180.94