#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 -0.43 0.20 0.00 0.15 -1.26 -5.02 113.70 107.34 1pyv s SER 2 Ca 0.00 0.54 -0.11 0.00 0.70 0.00 0.00 55.95 57.08 1pyv s SER 2 Cb 0.00 1.47 0.18 0.00 -1.71 0.00 0.00 66.02 65.95 1pyv s SER 2 CO 0.00 -0.08 1.81 -0.09 1.20 0.00 0.00 173.24 176.08 1pyv h ARG 3 N 7.44 0.64 -0.75 5.44 2.43 -2.04 0.21 114.38 127.76 1pyv h ARG 3 Ca -0.15 -0.04 -0.03 0.00 -0.81 0.00 0.00 59.98 58.95 1pyv h ARG 3 Cb 1.13 -0.14 -0.03 0.00 -0.42 0.00 0.00 29.97 30.50 1pyv h ARG 3 CO 0.06 0.43 0.35 0.00 -1.51 0.00 0.00 179.97 179.29 1pyv h ARG 4 N 0.66 1.08 0.43 0.20 2.47 -1.98 0.68 114.38 117.92 1pyv h ARG 4 Ca 0.26 -0.16 -0.02 0.00 -1.26 0.00 0.00 59.98 58.80 1pyv h ARG 4 Cb 0.10 -0.20 0.00 0.00 -1.65 0.00 0.00 29.97 28.23 1pyv h ARG 4 CO -0.14 0.84 -0.21 1.25 0.56 0.00 0.00 179.97 182.27 1pyv h LEU 5 N 1.07 -0.49 -2.23 3.04 7.12 -1.67 0.57 115.31 122.72 1pyv h LEU 5 Ca 0.26 -0.10 0.05 0.00 0.13 0.00 0.00 57.88 58.22 1pyv h LEU 5 Cb 0.12 0.13 -0.01 0.00 -0.53 0.00 0.00 40.66 40.37 1pyv h LEU 5 CO -0.03 -0.16 0.22 0.25 -0.13 0.00 0.00 178.44 178.60 1pyv h LEU 6 N -0.86 0.00 0.02 2.25 5.85 -0.46 0.41 115.31 122.52 1pyv h LEU 6 Ca -0.06 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.66 1pyv h LEU 6 Cb 0.56 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.59 1pyv h LEU 6 CO 0.10 0.00 -0.01 0.00 -0.34 0.00 0.00 178.44 178.19 1pyv h ALA 7 N 1.72 -0.02 -0.12 1.25 0.00 -0.39 -2.90 119.26 118.81 1pyv h ALA 7 Ca 0.09 -0.24 0.03 0.00 0.00 0.00 0.00 54.91 54.80 1pyv h ALA 7 Cb 0.54 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.33 1pyv h ALA 7 CO -0.00 -0.03 0.13 0.77 0.00 0.00 0.00 179.25 180.12 1pyv h SER 8 N -0.99 0.00 0.75 0.00 0.02 0.11 0.42 113.55 113.85 1pyv h SER 8 Ca -0.00 0.00 -0.15 0.00 -0.84 0.00 0.00 61.79 60.80 1pyv h SER 8 Cb 0.48 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.00 1pyv h SER 8 CO 0.00 0.00 -0.71 0.25 -1.14 0.00 0.00 176.83 175.24 1pyv h LEU 9 N 0.00 0.00 0.08 5.07 7.12 -0.27 -2.57 115.31 124.74 1pyv h LEU 9 Ca 0.06 0.00 -0.12 0.00 0.13 0.00 0.00 57.88 57.94 1pyv h LEU 9 Cb 0.31 0.00 0.01 0.00 -0.53 0.00 0.00 40.66 40.45 1pyv h LEU 9 CO -0.00 0.71 -0.52 0.25 -0.13 0.00 0.00 178.44 178.74 1pyv h LEU 10 N 0.00 0.33 -1.22 2.25 7.12 -0.08 -2.87 115.31 120.84 1pyv h LEU 10 Ca -0.01 -0.92 0.14 0.00 0.13 0.00 0.00 57.88 57.22 1pyv h LEU 10 Cb 1.27 -0.11 -0.08 0.00 -0.53 0.00 0.00 40.66 41.22 1pyv h LEU 10 CO 0.09 1.23 0.59 0.03 -0.13 0.00 0.00 178.44 180.25 1pyv h ARG 11 N -0.52 0.74 -0.20 1.25 3.08 -0.89 1.25 114.38 119.09 1pyv h ARG 11 Ca -0.09 -0.04 -0.14 0.00 0.07 0.00 0.00 59.98 59.78 1pyv h ARG 11 Cb 1.37 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 31.25 1pyv h ARG 11 CO 0.10 0.49 -0.45 0.37 -1.07 0.00 0.00 179.97 179.41 1pyv h GLN 12 N 0.76 0.51 0.03 0.04 5.75 -1.51 -0.50 115.11 120.17 1pyv h GLN 12 Ca 0.46 -0.27 -0.21 0.00 -0.15 0.00 0.00 58.65 58.48 1pyv h GLN 12 Cb 0.68 0.01 -0.01 0.00 1.07 0.00 0.00 27.48 29.23 1pyv h GLN 12 CO -0.23 0.86 -0.97 1.03 -2.65 0.00 0.00 178.83 176.87 1pyv h SER 13 N 0.41 0.19 -0.03 -0.69 0.87 -0.50 -2.35 113.55 111.46 1pyv h SER 13 Ca 0.03 -0.17 -0.01 0.00 -1.23 0.00 0.00 61.79 60.41 1pyv h SER 13 Cb 0.95 -0.06 -0.00 0.00 -0.44 0.00 0.00 62.40 62.85 1pyv h SER 13 CO 0.08 1.05 -0.01 0.00 -0.53 0.00 0.00 176.83 177.42 1pyv h ALA 14 N 0.93 0.04 0.00 6.23 0.00 0.16 0.09 119.26 126.71 1pyv h ALA 14 Ca -0.05 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1pyv h ALA 14 Cb 1.65 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.44 1pyv h ALA 14 CO 0.14 -0.23 0.00 0.00 0.00 0.00 0.00 179.25 179.16 1pyv n GLN 15 N -4.84 0.17 -3.18 0.00 10.64 -0.21 -3.54 117.38 116.42 1pyv n GLN 15 Ca -0.08 0.43 -0.23 0.00 -1.83 0.00 0.00 57.00 55.29 1pyv n GLN 15 Cb 0.24 -1.85 -0.06 0.00 -0.86 0.00 0.00 30.24 27.71 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 -2.17 0.74 -0.45 2.61 1.74 -0.88 -4.96 116.66 113.29 1pyv n ARG 16 Ca 0.02 -3.19 0.38 0.00 -0.77 0.00 0.00 57.85 54.29 1pyv n ARG 16 Cb 0.20 -1.27 0.66 0.00 -1.02 0.00 0.00 32.46 31.03 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 3.90 1.51 0.00 -0.13 0.00 -1.03 -2.18 103.07 105.13 1pyv h GLY 17 Ca 0.07 -0.11 0.00 0.00 0.00 0.00 0.00 47.33 47.29 1pyv h GLY 17 CO 0.46 -0.52 0.00 0.61 0.00 0.00 0.00 176.54 177.09 1pyv n GLY 18 N -1.48 -3.38 2.06 4.60 0.00 -1.26 -4.98 105.19 100.75 1pyv n GLY 18 Ca 0.39 0.49 -0.01 0.00 0.00 0.00 0.00 46.02 46.90 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 -0.83 -5.04 0.18 -0.02 0.00 -0.82 -4.73 105.19 93.92 1pyv n GLY 19 Ca 0.00 0.15 -0.17 0.00 0.00 0.00 0.00 46.02 46.00 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 3.17 0.70 -0.10 0.99 3.38 -1.94 -2.82 115.31 118.70 1pyv h LEU 20 Ca -0.08 -0.67 0.00 0.00 0.09 0.00 0.00 57.88 57.22 1pyv h LEU 20 Cb 0.17 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.71 1pyv h LEU 20 CO 0.00 1.27 0.00 2.30 0.09 0.00 0.00 178.44 182.10 1pyv n ILE 21 N -4.13 0.99 0.30 1.22 -0.00 -1.26 -0.71 119.36 115.77 1pyv n ILE 21 Ca -0.09 0.25 0.19 0.00 -0.00 0.00 0.00 62.75 63.10 1pyv n ILE 21 Cb 0.68 -1.03 0.84 0.00 -0.00 0.00 0.00 39.64 40.13 1pyv n ILE 21 CO 0.00 0.00 0.00 -1.28 -0.00 0.00 0.00 176.55 175.27 1pyv h SER 22 N 0.00 0.00 0.00 7.28 0.87 -1.79 -2.83 113.55 117.08 1pyv h SER 22 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1pyv h SER 22 Cb 0.26 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.22 1pyv h SER 22 CO 0.00 0.00 -0.24 -1.14 -0.53 0.00 0.00 176.83 174.92 1pyv n ARG 23 N -3.06 0.00 -0.29 2.24 3.00 -0.82 -4.26 116.66 113.48 1pyv n ARG 23 Ca -0.00 0.00 0.11 0.00 -0.00 0.00 0.00 57.85 57.96 1pyv n ARG 23 Cb 0.23 -0.31 0.27 0.00 0.00 0.00 0.00 32.46 32.64 1pyv n ARG 23 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.63 178.66 1pyv h SER 24 N 0.00 0.10 1.30 6.15 0.87 -1.08 0.83 113.55 121.72 1pyv h SER 24 Ca 0.00 0.17 -0.06 0.00 -1.23 0.00 0.00 61.79 60.67 1pyv h SER 24 Cb 0.24 0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 62.39 1pyv h SER 24 CO 0.00 -0.08 -0.73 0.25 -0.53 0.00 0.00 176.83 175.75 1pyv h LEU 25 N 0.28 0.00 -0.51 2.23 7.12 -1.66 -3.21 115.31 119.56 1pyv h LEU 25 Ca 0.52 0.00 0.00 0.00 0.13 0.00 0.00 57.88 58.53 1pyv h LEU 25 Cb 0.99 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 41.12 1pyv h LEU 25 CO -0.58 0.25 0.00 0.61 -0.13 0.00 0.00 178.44 178.59 1pyv n GLY 26 N 1.22 -0.25 0.19 3.75 0.00 0.26 -3.57 105.19 106.80 1pyv n GLY 26 Ca -0.01 -0.12 0.14 0.00 0.00 0.00 0.00 46.02 46.04 1pyv n GLY 26 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1pyv h ASN 27 N 0.63 0.00 -1.39 1.61 2.35 -0.69 -3.25 115.58 114.84 1pyv h ASN 27 Ca 0.00 0.00 -0.41 0.00 -0.55 0.00 0.00 56.30 55.34 1pyv h ASN 27 Cb 0.21 0.00 -0.32 0.00 0.05 0.00 0.00 38.32 38.25 1pyv h ASN 27 CO 0.01 0.00 -0.97 -1.20 -1.65 0.00 0.00 177.43 173.62 1pyv n SER 28 N -2.60 -0.15 -0.07 5.81 7.64 -1.23 -4.95 113.62 118.07 1pyv n SER 28 Ca 0.01 -3.22 -0.13 0.00 1.01 0.00 0.00 58.87 56.55 1pyv n SER 28 Cb 0.26 0.16 -0.10 0.00 -1.01 0.00 0.00 64.21 63.52 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 1.61 1.26 0.00 0.44 2.04 -1.77 -3.01 117.51 118.08 1pyv h ILE 29 Ca 0.04 -2.03 0.00 0.00 1.00 0.00 0.00 64.86 63.87 1pyv h ILE 29 Cb 1.01 2.46 0.00 0.00 -0.74 0.00 0.00 36.82 39.55 1pyv h ILE 29 CO 0.39 0.43 0.00 -0.81 0.00 0.00 0.00 178.15 178.15 1pyv n PRO 30 N -4.61 0.75 -0.37 2.37 -0.04 -1.26 -2.46 135.00 129.37 1pyv n PRO 30 Ca -0.12 0.00 0.06 0.00 -0.04 0.00 0.00 63.50 63.40 1pyv n PRO 30 Cb 0.42 -1.45 0.23 0.00 -0.04 0.00 0.00 33.50 32.66 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 -0.95 2.65 -3.12 0.54 5.02 -1.24 -4.88 118.16 116.18 1pyv n LYS 31 Ca 0.16 -1.81 -0.14 0.00 -2.02 0.00 0.00 58.31 54.50 1pyv n LYS 31 Cb 0.08 -1.62 0.05 0.00 -0.02 0.00 0.00 35.03 33.52 1pyv n LYS 31 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 1pyv n SER 32 N 0.68 -4.21 -3.56 4.39 7.64 -1.03 -2.58 113.62 114.95 1pyv n SER 32 Ca 0.16 -0.34 -0.24 0.00 1.01 0.00 0.00 58.87 59.46 1pyv n SER 32 Cb 0.58 -3.30 0.07 0.00 -1.01 0.00 0.00 64.21 60.55 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 -3.84 -1.26 -0.50 -0.43 0.00 -1.14 -4.79 120.51 108.54 1pyv n ALA 33 Ca -0.03 0.37 0.41 0.00 0.00 0.00 0.00 53.44 54.19 1pyv n ALA 33 Cb 0.55 -5.21 0.68 0.00 0.00 0.00 0.00 19.45 15.47 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 -2.93 0.15 -3.54 0.00 2.88 -1.07 -0.92 113.62 108.20 1pyv n SER 34 Ca -0.00 1.23 -0.27 0.00 -1.33 0.00 0.00 58.87 58.50 1pyv n SER 34 Cb 0.56 -0.61 -0.09 0.00 -0.75 0.00 0.00 64.21 63.32 1pyv n SER 34 CO 0.00 0.00 0.00 -1.14 -1.23 0.00 0.00 175.04 172.67 1pyv n ARG 35 N -4.43 2.12 -2.92 -1.46 3.00 -1.26 -4.94 116.66 106.76 1pyv n ARG 35 Ca 0.39 -4.46 -0.36 0.00 -0.00 0.00 0.00 57.85 53.42 1pyv n ARG 35 Cb 1.59 -2.17 -0.01 0.00 0.00 0.00 0.00 32.46 31.87 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 1.28 5.20 -0.65 5.13 0.00 -0.10 -4.88 120.51 126.49 1pyv n ALA 36 Ca 0.26 -4.71 -0.08 0.00 0.00 0.00 0.00 53.44 48.92 1pyv n ALA 36 Cb 0.40 -1.65 0.13 0.00 0.00 0.00 0.00 19.45 18.33 1pyv n ALA 36 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1pyv n SER 37 N 0.35 -2.93 0.27 0.00 3.41 -1.26 -4.60 113.62 108.86 1pyv n SER 37 Ca 0.35 -0.39 0.13 0.00 -0.26 0.00 0.00 58.87 58.70 1pyv n SER 37 Cb 0.33 -0.45 0.75 0.00 -0.26 0.00 0.00 64.21 64.58 1pyv n SER 37 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 1pyv h SER 38 N -2.71 0.00 -0.31 4.04 4.64 -2.02 0.93 113.55 118.12 1pyv h SER 38 Ca -0.17 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.15 1pyv h SER 38 Cb 0.59 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.68 1pyv h SER 38 CO 0.10 0.10 0.00 0.54 -0.87 0.00 0.00 176.83 176.71 1pyv n ARG 39 N -3.72 1.93 -0.01 4.77 3.00 -1.26 -3.43 116.66 117.95 1pyv n ARG 39 Ca -0.02 -1.43 0.02 0.00 -0.01 0.00 0.00 57.85 56.41 1pyv n ARG 39 Cb 0.21 -1.38 0.03 0.00 0.00 0.00 0.00 32.46 31.32 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 0.65 2.40 -0.01 7.54 0.00 0.30 -4.37 120.51 127.02 1pyv n ALA 40 Ca 0.16 -0.64 -0.13 0.00 0.00 0.00 0.00 53.44 52.83 1pyv n ALA 40 Cb 0.37 -0.15 -0.10 0.00 0.00 0.00 0.00 19.45 19.57 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 0.83 -0.05 0.47 0.00 0.02 -1.52 1.46 113.55 114.77 1pyv h SER 41 Ca 0.00 -0.58 -0.19 0.00 -0.84 0.00 0.00 61.79 60.18 1pyv h SER 41 Cb 0.27 0.01 -0.01 0.00 0.14 0.00 0.00 62.40 62.81 1pyv h SER 41 CO 0.00 0.59 -0.81 1.55 -1.14 0.00 0.00 176.83 177.02 1pyv h PRO 42 N -0.73 0.26 0.00 3.45 0.13 -1.82 -3.14 132.00 130.15 1pyv h PRO 42 Ca -0.01 -0.25 -0.13 0.00 -0.87 0.00 0.00 66.00 64.74 1pyv h PRO 42 Cb 0.63 0.06 -0.02 0.00 0.13 0.00 0.00 31.00 31.80 1pyv h PRO 42 CO 0.01 0.94 -0.99 0.87 -0.23 0.00 0.00 178.00 178.60 1pyv h LYS 43 N 0.16 0.00 -0.45 0.86 1.79 -1.76 -3.34 116.57 113.82 1pyv h LYS 43 Ca -0.04 0.00 0.07 0.00 -2.18 0.00 0.00 60.65 58.50 1pyv h LYS 43 Cb 1.41 0.00 -0.06 0.00 -1.58 0.00 0.00 32.23 32.01 1pyv h LYS 43 CO 0.13 0.39 0.13 0.78 -1.08 0.00 0.00 179.45 179.80 1pyv h GLY 44 N 3.61 0.57 0.24 3.86 0.00 0.21 0.81 103.07 112.38 1pyv h GLY 44 Ca -0.08 -0.06 0.16 0.00 0.00 0.00 0.00 47.33 47.34 1pyv h GLY 44 CO 0.05 -0.01 0.54 -2.75 0.00 0.00 0.00 176.54 174.37 1pyv h PHE 45 N 0.28 0.96 0.00 5.60 3.04 -1.67 1.83 116.94 126.99 1pyv h PHE 45 Ca 0.22 0.03 0.00 0.00 3.98 0.00 0.00 57.97 62.20 1pyv h PHE 45 Cb 0.25 -0.29 0.00 0.00 2.56 0.00 0.00 35.95 38.47 1pyv h PHE 45 CO -0.18 0.26 -0.41 1.25 -2.02 0.00 0.00 178.31 177.21 1pyv h LEU 46 N 0.76 0.00 0.01 0.59 5.85 -1.41 -2.51 115.31 118.59 1pyv h LEU 46 Ca 0.51 -0.10 -0.25 0.00 0.84 0.00 0.00 57.88 58.88 1pyv h LEU 46 Cb 0.71 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.70 1pyv h LEU 46 CO -0.35 0.05 -1.37 -0.07 -0.34 0.00 0.00 178.44 176.36 1pyv h LEU 47 N 0.00 0.02 0.04 2.25 -0.00 0.55 -3.09 115.31 115.08 1pyv h LEU 47 Ca 0.00 -0.03 -0.25 0.00 -0.00 0.00 0.00 57.88 57.60 1pyv h LEU 47 Cb 0.80 -0.01 -0.02 0.00 -0.00 0.00 0.00 40.66 41.43 1pyv h LEU 47 CO 0.00 1.02 -1.21 -1.13 -0.00 0.00 0.00 178.44 177.12 1pyv h ASN 48 N 0.00 0.15 0.88 -0.43 -1.24 0.25 -3.16 115.58 112.03 1pyv h ASN 48 Ca -0.16 -0.17 0.00 0.00 0.71 0.00 0.00 56.30 56.68 1pyv h ASN 48 Cb 1.90 -0.05 0.00 0.00 0.73 0.00 0.00 38.32 40.90 1pyv h ASN 48 CO 0.11 1.14 0.00 -2.11 -1.29 0.00 0.00 177.43 175.28 1pyv n ARG 49 N -3.37 0.09 0.11 6.67 1.85 -0.95 -2.61 116.66 118.45 1pyv n ARG 49 Ca -0.06 0.20 -0.19 0.00 -1.00 0.00 0.00 57.85 56.80 1pyv n ARG 49 Cb 0.99 -1.63 -0.13 0.00 -1.05 0.00 0.00 32.46 30.63 1pyv n ARG 49 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1pyv h ALA 50 N 2.60 0.05 0.36 2.89 0.00 -1.50 -3.14 119.26 120.53 1pyv h ALA 50 Ca 0.00 -0.83 -0.02 0.00 0.00 0.00 0.00 54.91 54.06 1pyv h ALA 50 Cb 0.44 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1pyv h ALA 50 CO 0.00 0.82 -0.17 0.28 0.00 0.00 0.00 179.25 180.18 1pyv h VAL 51 N 0.16 0.26 -1.00 0.00 2.07 -1.58 -3.20 116.25 112.96 1pyv h VAL 51 Ca -0.17 -0.72 0.36 0.00 0.82 0.00 0.00 66.70 67.00 1pyv h VAL 51 Cb 1.95 0.43 -0.18 0.00 -1.52 0.00 0.00 31.29 31.97 1pyv h VAL 51 CO 0.22 0.06 0.33 0.06 0.02 0.00 0.00 177.57 178.27 1pyv h GLN 52 N -1.05 0.01 -0.01 1.57 3.07 -1.64 -3.53 115.11 113.53 1pyv h GLN 52 Ca -0.05 -0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.69 1pyv h GLN 52 Cb 0.47 -0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.03 1pyv h GLN 52 CO 0.08 0.01 0.00 0.66 0.09 0.00 0.00 178.83 179.67