#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wwg s THR 2 N 0.00 0.65 -0.83 0.00 2.01 -1.26 -5.01 115.64 111.20 1wwg s THR 2 Ca 0.00 -2.33 0.01 0.00 0.31 0.00 0.00 61.69 59.69 1wwg s THR 2 Cb 0.00 -1.46 0.31 0.00 0.01 0.00 0.00 72.50 71.36 1wwg s THR 2 CO 0.00 -1.04 1.26 1.33 -0.69 0.00 0.00 174.62 175.48 1wwg n VAL 3 N 3.46 4.25 -4.34 3.82 0.24 -1.26 -5.01 118.33 119.50 1wwg n VAL 3 Ca 0.17 -5.69 -0.21 0.00 -2.04 0.00 0.00 64.34 56.57 1wwg n VAL 3 Cb 0.39 -1.77 -0.11 0.00 -1.47 0.00 0.00 33.84 30.88 1wwg n VAL 3 CO 0.00 0.00 0.00 0.68 -2.14 0.00 0.00 176.83 175.37 1wwg s VAL 4 N -3.55 1.81 -0.10 3.34 -7.23 -1.26 -5.15 120.40 108.26 1wwg s VAL 4 Ca 0.40 -2.00 -0.30 0.00 -1.81 0.00 0.00 61.98 58.27 1wwg s VAL 4 Cb 0.17 -1.90 0.12 0.00 0.56 0.00 0.00 36.38 35.33 1wwg s VAL 4 CO -0.04 -0.39 0.95 -0.55 -0.31 0.00 0.00 175.10 174.76 1wwg s SER 5 N -2.85 -0.37 -0.30 4.85 0.15 -1.26 -5.18 113.70 108.74 1wwg s SER 5 Ca 0.18 0.25 -0.25 0.00 0.70 0.00 0.00 55.95 56.82 1wwg s SER 5 Cb -0.04 0.34 0.20 0.00 -1.71 0.00 0.00 66.02 64.80 1wwg s SER 5 CO 0.07 -0.45 1.47 -0.83 1.20 0.00 0.00 173.24 174.70 1wwg s GLY 6 N -1.67 0.39 -0.30 9.45 0.00 -1.26 -5.16 107.32 108.77 1wwg s GLY 6 Ca 0.01 3.58 -0.12 0.00 0.00 0.00 0.00 44.72 48.19 1wwg s GLY 6 CO -0.02 1.94 0.80 1.62 0.00 0.00 0.00 173.10 177.43 1wwg s GLN 7 N -0.00 0.45 0.65 2.90 -0.44 -1.26 -5.15 119.66 116.81 1wwg s GLN 7 Ca 0.08 1.12 -0.17 0.00 -2.50 0.00 0.00 55.36 53.89 1wwg s GLN 7 Cb -0.05 0.68 -0.09 0.00 -1.64 0.00 0.00 33.01 31.90 1wwg s GLN 7 CO -0.16 -0.17 0.20 1.63 0.50 0.00 0.00 175.29 177.29 1wwg n LYS 8 N 5.25 0.23 -0.06 1.67 5.02 -1.26 -4.94 118.16 124.06 1wwg n LYS 8 Ca -0.10 0.10 -0.03 0.00 -2.02 0.00 0.00 58.31 56.25 1wwg n LYS 8 Cb 0.51 -1.48 -0.01 0.00 -0.02 0.00 0.00 35.03 34.03 1wwg n LYS 8 CO 0.00 0.00 0.00 1.96 -0.52 0.00 0.00 177.40 178.84 1wwg h GLN 9 N -0.19 0.00 -5.54 1.97 4.20 -2.08 -3.50 115.11 109.97 1wwg h GLN 9 Ca -0.44 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.27 1wwg h GLN 9 Cb 1.38 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 29.11 1wwg h GLN 9 CO 0.41 0.04 -0.96 -0.25 -0.67 0.00 0.00 178.83 177.40 1wwg n ASP 10 N -4.67 -4.53 -3.66 1.46 9.92 -1.26 -5.04 116.55 108.76 1wwg n ASP 10 Ca -0.05 1.14 -0.14 0.00 -0.53 0.00 0.00 54.79 55.21 1wwg n ASP 10 Cb 0.18 -3.74 -0.08 0.00 -0.64 0.00 0.00 41.12 36.84 1wwg n ASP 10 CO 0.00 0.00 0.00 -0.13 0.13 0.00 0.00 177.20 177.20 1wwg s ARG 11 N -0.67 0.73 0.11 -1.24 0.52 -1.26 -5.08 118.95 112.06 1wwg s ARG 11 Ca -0.12 0.85 0.00 0.00 -0.52 0.00 0.00 55.73 55.94 1wwg s ARG 11 Cb 0.01 0.35 0.00 0.00 0.52 0.00 0.00 34.95 35.83 1wwg s ARG 11 CO 0.47 -0.09 0.00 1.04 0.02 0.00 0.00 175.30 176.74 1wwg n GLN 12 N 2.72 0.00 0.00 3.54 6.02 -1.26 -5.17 117.38 123.24 1wwg n GLN 12 Ca -0.14 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.85 1wwg n GLN 12 Cb 0.56 -0.41 0.00 0.00 1.02 0.00 0.00 30.24 31.41 1wwg n GLN 12 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1wwg n GLY 13 N 3.27 3.13 0.00 1.08 0.00 -1.26 -5.02 105.19 106.39 1wwg n GLY 13 Ca 0.00 -1.71 0.00 0.00 0.00 0.00 0.00 46.02 44.31 1wwg n GLY 13 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wwg n GLY 14 N -0.17 -1.88 2.50 -0.02 0.00 -1.26 -4.80 105.19 99.56 1wwg n GLY 14 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 1wwg n GLY 14 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1wwg n GLU 15 N 0.00 0.95 -3.09 1.61 2.13 -1.26 -5.05 120.64 115.93 1wwg n GLU 15 Ca 0.00 -2.51 -0.00 0.00 0.66 0.00 0.00 57.16 55.31 1wwg n GLU 15 Cb 0.00 -1.32 -0.00 0.00 0.27 0.00 0.00 31.44 30.38 1wwg n GLU 15 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 1wwg n ARG 16 N 0.55 -1.01 -2.85 5.31 1.74 -1.26 -5.01 116.66 114.13 1wwg n ARG 16 Ca 0.14 1.19 0.03 0.00 -0.77 0.00 0.00 57.85 58.44 1wwg n ARG 16 Cb 0.67 -1.55 0.01 0.00 -1.02 0.00 0.00 32.46 30.56 1wwg n ARG 16 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 1wwg s ARG 17 N -0.81 0.09 -0.46 5.56 3.00 -1.26 -5.06 118.95 120.00 1wwg s ARG 17 Ca -0.01 -0.00 0.08 0.00 -1.00 0.00 0.00 55.73 54.80 1wwg s ARG 17 Cb 0.00 0.02 0.39 0.00 0.00 0.00 0.00 34.95 35.35 1wwg s ARG 17 CO 0.11 -0.13 0.97 0.54 0.00 0.00 0.00 175.30 176.79 1wwg n ARG 18 N 4.06 2.67 -3.90 5.12 1.74 -1.26 -4.94 116.66 120.15 1wwg n ARG 18 Ca 0.07 -4.30 -0.40 0.00 -0.77 0.00 0.00 57.85 52.45 1wwg n ARG 18 Cb 0.62 -2.02 0.03 0.00 -1.02 0.00 0.00 32.46 30.07 1wwg n ARG 18 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1wwg n SER 19 N -0.22 -4.70 -4.35 0.55 2.88 -1.26 0.29 113.62 106.80 1wwg n SER 19 Ca 0.30 -1.16 -0.38 0.00 -1.33 0.00 0.00 58.87 56.29 1wwg n SER 19 Cb 0.58 -2.39 -0.08 0.00 -0.75 0.00 0.00 64.21 61.57 1wwg n SER 19 CO 0.00 0.00 0.00 1.67 -1.23 0.00 0.00 175.04 175.48 1wwg n GLN 20 N -4.58 -0.77 -1.40 -1.46 -0.06 -1.26 -4.55 117.38 103.30 1wwg n GLN 20 Ca -0.11 0.12 -0.49 0.00 -2.00 0.00 0.00 57.00 54.52 1wwg n GLN 20 Cb 0.58 -4.25 -0.13 0.00 -4.06 0.00 0.00 30.24 22.38 1wwg n GLN 20 CO 0.00 0.00 0.00 -0.11 -0.20 0.00 0.00 177.06 176.75 1wwg n LEU 21 N -3.96 0.67 -4.86 1.69 0.00 0.14 -4.86 117.00 105.82 1wwg n LEU 21 Ca 0.03 0.37 -0.31 0.00 0.00 0.00 0.00 56.01 56.10 1wwg n LEU 21 Cb 0.47 -0.96 -0.04 0.00 0.00 0.00 0.00 43.42 42.89 1wwg n LEU 21 CO 0.89 -0.78 0.51 -1.81 0.00 0.00 0.00 177.39 176.20 1wwg s ASP 22 N 7.82 6.60 0.00 1.96 1.01 -1.26 -4.93 116.67 127.87 1wwg s ASP 22 Ca 1.26 1.28 0.10 0.00 0.71 0.00 0.00 52.55 55.90 1wwg s ASP 22 Cb -1.29 -2.38 0.47 0.00 1.01 0.00 0.00 42.92 40.73 1wwg s ASP 22 CO 0.55 -0.42 1.21 -1.14 0.21 0.00 0.00 175.17 175.58 1wwg n ARG 23 N -1.22 0.11 -0.86 8.23 3.00 -1.26 -1.16 116.66 123.50 1wwg n ARG 23 Ca 0.04 0.22 0.05 0.00 -0.00 0.00 0.00 57.85 58.16 1wwg n ARG 23 Cb 0.54 -1.50 0.14 0.00 0.00 0.00 0.00 32.46 31.63 1wwg n ARG 23 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.63 177.23 1wwg n ASP 24 N -1.32 1.45 -4.77 6.15 5.75 -1.26 -5.06 116.55 117.49 1wwg n ASP 24 Ca 0.04 -3.16 -0.28 0.00 -0.01 0.00 0.00 54.79 51.39 1wwg n ASP 24 Cb 0.08 -0.44 -0.06 0.00 -1.03 0.00 0.00 41.12 39.68 1wwg n ASP 24 CO 0.00 0.00 0.00 -1.10 -0.11 0.00 0.00 177.20 175.99 1wwg s GLN 25 N -2.03 2.20 -0.16 0.11 -1.52 -0.31 -1.06 119.66 116.89 1wwg s GLN 25 Ca 0.35 -2.06 -0.05 0.00 -1.95 0.00 0.00 55.36 51.65 1wwg s GLN 25 Cb 0.36 -1.86 -0.03 0.00 -0.22 0.00 0.00 33.01 31.26 1wwg s GLN 25 CO -0.09 -0.30 -0.00 0.00 -0.25 0.00 0.00 175.29 174.65 1wwg n ALA 27 N 3.52 5.22 0.07 0.00 0.00 -1.26 -2.31 120.51 125.75 1wwg n ALA 27 Ca -0.17 -2.34 0.00 0.00 0.00 0.00 0.00 53.44 50.93 1wwg n ALA 27 Cb 0.52 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 18.53 1wwg n ALA 27 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 1wwg n TYR 28 N -0.54 -1.05 0.97 0.00 9.36 -1.26 -4.87 117.16 119.77 1wwg n TYR 28 Ca 0.46 0.18 0.10 0.00 3.32 0.00 0.00 57.90 61.96 1wwg n TYR 28 Cb 1.04 0.33 -0.10 0.00 -0.63 0.00 0.00 39.34 39.99 1wwg n TYR 28 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1wwg n LYS 30 N -1.29 -0.21 -2.83 0.00 4.01 -0.98 -5.00 118.16 111.85 1wwg n LYS 30 Ca 0.05 0.53 -0.41 0.00 -0.51 0.00 0.00 58.31 57.97 1wwg n LYS 30 Cb 0.34 -4.16 -0.05 0.00 -0.51 0.00 0.00 35.03 30.65 1wwg n LYS 30 CO 0.00 0.00 0.00 -2.00 -1.11 0.00 0.00 177.40 174.29 1wwg s GLU 31 N -2.58 4.63 -0.29 1.97 2.56 -1.25 -4.66 118.70 119.07 1wwg s GLU 31 Ca 0.00 1.30 -0.18 0.00 0.00 0.00 0.00 54.97 56.09 1wwg s GLU 31 Cb 0.00 -3.36 -0.02 0.00 2.00 0.00 0.00 34.13 32.75 1wwg s GLU 31 CO 0.00 0.27 0.50 0.21 -0.56 0.00 0.00 175.26 175.68 1wwg s LYS 32 N -0.14 3.93 0.00 4.30 2.20 -1.26 0.73 119.74 129.50 1wwg s LYS 32 Ca 0.43 0.15 0.00 0.00 -0.36 0.00 0.00 55.97 56.19 1wwg s LYS 32 Cb -0.22 -3.70 0.00 0.00 -1.51 0.00 0.00 37.83 32.40 1wwg s LYS 32 CO 0.27 -0.43 0.00 0.41 -0.36 0.00 0.00 175.35 175.24 1wwg n GLY 33 N 4.55 3.44 3.82 5.54 0.00 -0.23 -4.99 105.19 117.32 1wwg n GLY 33 Ca -0.05 -0.53 -0.22 0.00 0.00 0.00 0.00 46.02 45.23 1wwg n GLY 33 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1wwg s HIS 34 N 0.00 2.73 0.27 1.61 -3.43 -1.26 -4.87 115.29 110.34 1wwg s HIS 34 Ca 0.00 -0.45 0.06 0.00 -0.80 0.00 0.00 55.06 53.88 1wwg s HIS 34 Cb 0.00 -1.95 -0.03 0.00 -1.43 0.00 0.00 32.58 29.17 1wwg s HIS 34 CO 0.00 0.09 0.31 -1.58 -2.00 0.00 0.00 174.74 171.56 1wwg s TRP 35 N -2.45 3.20 0.34 0.38 0.52 -1.26 -2.51 118.94 117.16 1wwg s TRP 35 Ca 0.43 -0.12 0.03 0.00 0.02 0.00 0.00 56.10 56.46 1wwg s TRP 35 Cb -0.02 -1.61 0.64 0.00 -1.15 0.00 0.00 33.47 31.33 1wwg s TRP 35 CO 0.26 0.37 1.96 0.00 0.02 0.00 0.00 176.95 179.55 1wwg h ALA 36 N 1.25 1.59 0.00 0.98 0.00 -1.89 0.53 119.26 121.72 1wwg h ALA 36 Ca -0.49 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.39 1wwg h ALA 36 Cb 1.24 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.79 1wwg h ALA 36 CO 0.59 0.32 0.00 1.63 0.00 0.00 0.00 179.25 181.79 1wwg n LYS 37 N -4.46 0.10 -1.59 0.00 4.76 -1.26 -1.23 118.16 114.47 1wwg n LYS 37 Ca 0.10 0.50 0.00 0.00 -2.87 0.00 0.00 58.31 56.05 1wwg n LYS 37 Cb 0.15 -1.76 0.07 0.00 -1.84 0.00 0.00 35.03 31.66 1wwg n LYS 37 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 1wwg n ASP 38 N -1.96 1.76 -4.69 4.39 2.03 0.16 -4.73 116.55 113.51 1wwg n ASP 38 Ca 0.00 -2.70 -0.42 0.00 0.52 0.00 0.00 54.79 52.19 1wwg n ASP 38 Cb 0.09 -0.40 -0.03 0.00 -0.72 0.00 0.00 41.12 40.06 1wwg n ASP 38 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1wwg n PRO 40 N 5.13 0.75 0.00 0.00 -0.04 -1.26 -2.01 135.00 137.56 1wwg n PRO 40 Ca 0.12 0.00 0.11 0.00 -0.04 0.00 0.00 63.50 63.69 1wwg n PRO 40 Cb 0.44 -1.47 -0.15 0.00 -0.04 0.00 0.00 33.50 32.29 1wwg n PRO 40 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 1wwg n LYS 41 N -0.97 0.59 -4.08 0.54 4.81 -1.26 -4.94 118.16 112.84 1wwg n LYS 41 Ca 0.17 -0.15 -0.27 0.00 -0.87 0.00 0.00 58.31 57.18 1wwg n LYS 41 Cb 0.08 -1.54 -0.06 0.00 0.02 0.00 0.00 35.03 33.53 1wwg n LYS 41 CO 0.00 0.00 0.00 -1.59 1.17 0.00 0.00 177.40 176.98 1wwg s LYS 42 N -3.45 2.86 0.79 1.64 -2.85 -0.85 -5.11 119.74 112.76 1wwg s LYS 42 Ca -0.06 -0.85 -0.11 0.00 -1.00 0.00 0.00 55.97 53.95 1wwg s LYS 42 Cb 0.14 -2.64 0.06 0.00 -2.06 0.00 0.00 37.83 33.33 1wwg s LYS 42 CO 0.89 0.50 1.09 -1.25 0.10 0.00 0.00 175.35 176.69 1wwg s PRO 43 N -2.93 2.18 -0.35 1.78 0.04 -1.26 -4.79 135.00 129.66 1wwg s PRO 43 Ca 0.30 0.67 -0.43 0.00 0.04 0.00 0.00 61.00 61.58 1wwg s PRO 43 Cb -0.10 -1.93 -0.18 0.00 0.04 0.00 0.00 34.50 32.33 1wwg s PRO 43 CO 0.23 -1.56 1.66 -2.13 0.04 0.00 0.00 177.00 175.24 1wwg n ARG 44 N -3.40 0.66 -4.28 4.56 0.63 -1.26 -4.93 116.66 108.65 1wwg n ARG 44 Ca 0.07 0.24 -0.25 0.00 -0.92 0.00 0.00 57.85 57.00 1wwg n ARG 44 Cb 0.56 -1.85 -0.07 0.00 0.45 0.00 0.00 32.46 31.56 1wwg n ARG 44 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1wwg n GLY 45 N 4.03 3.36 2.14 5.14 0.00 -1.26 -4.68 105.19 113.91 1wwg n GLY 45 Ca 0.28 -2.15 -0.17 0.00 0.00 0.00 0.00 46.02 43.98 1wwg n GLY 45 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1wwg n PRO 46 N -0.91 -1.49 -1.51 1.61 -0.04 -1.26 -5.06 135.00 126.34 1wwg n PRO 46 Ca -0.08 -1.11 0.12 0.00 -0.04 0.00 0.00 63.50 62.39 1wwg n PRO 46 Cb 0.57 -0.87 -0.06 0.00 -0.04 0.00 0.00 33.50 33.10 1wwg n PRO 46 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1wwg n ARG 47 N -3.03 -3.60 0.00 0.54 3.00 -1.26 -5.09 116.66 107.21 1wwg n ARG 47 Ca 0.09 2.90 0.00 0.00 -0.01 0.00 0.00 57.85 60.83 1wwg n ARG 47 Cb 0.34 -3.95 0.00 0.00 0.00 0.00 0.00 32.46 28.85 1wwg n ARG 47 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1wwg n GLY 48 N -3.79 -0.94 3.65 -0.13 0.00 -1.26 -4.89 105.19 97.84 1wwg n GLY 48 Ca -0.06 -0.09 -0.43 0.00 0.00 0.00 0.00 46.02 45.43 1wwg n GLY 48 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wwg s PRO 49 N -0.19 4.15 -0.15 1.61 0.04 -1.26 -5.01 135.00 134.18 1wwg s PRO 49 Ca 0.00 1.58 0.01 0.00 0.04 0.00 0.00 61.00 62.63 1wwg s PRO 49 Cb 0.00 -3.80 0.00 0.00 0.04 0.00 0.00 34.50 30.74 1wwg s PRO 49 CO 0.00 -0.82 -0.17 1.03 0.04 0.00 0.00 177.00 177.08 1wwg s ARG 50 N 3.69 3.14 1.08 4.56 0.52 -1.26 -5.12 118.95 125.56 1wwg s ARG 50 Ca 0.56 -0.78 -0.18 0.00 -0.52 0.00 0.00 55.73 54.81 1wwg s ARG 50 Cb -0.21 -2.57 0.24 0.00 0.52 0.00 0.00 34.95 32.93 1wwg s ARG 50 CO 0.17 -0.02 1.22 -1.25 0.02 0.00 0.00 175.30 175.44 1wwg s PRO 51 N 0.87 -0.27 0.23 3.54 0.04 -1.26 -5.05 135.00 133.10 1wwg s PRO 51 Ca -0.05 -0.23 0.00 0.00 0.04 0.00 0.00 61.00 60.76 1wwg s PRO 51 Cb -0.15 -1.72 0.00 0.00 0.04 0.00 0.00 34.50 32.66 1wwg s PRO 51 CO -0.02 -3.05 0.00 0.94 0.04 0.00 0.00 177.00 174.91 1wwg n GLN 52 N -4.25 0.00 -1.55 4.56 0.00 -1.26 -5.04 117.38 109.84 1wwg n GLN 52 Ca 0.14 0.00 -0.50 0.00 -0.00 0.00 0.00 57.00 56.64 1wwg n GLN 52 Cb 0.59 -0.17 -0.06 0.00 0.00 0.00 0.00 30.24 30.60 1wwg n GLN 52 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.06 179.47 1wwg n THR 53 N -3.48 0.32 -3.46 1.69 -1.04 -1.26 -4.88 114.28 102.17 1wwg n THR 53 Ca 0.00 -0.23 0.01 0.00 -2.04 0.00 0.00 64.05 61.79 1wwg n THR 53 Cb 0.00 -1.78 -0.05 0.00 -1.82 0.00 0.00 70.33 66.69 1wwg n THR 53 CO 0.00 0.00 0.00 -0.55 -0.64 0.00 0.00 175.07 173.88 1wwg s SER 54 N 6.28 -0.45 1.01 8.00 0.15 -1.26 -5.17 113.70 122.25 1wwg s SER 54 Ca 1.03 0.65 -0.14 0.00 0.70 0.00 0.00 55.95 58.20 1wwg s SER 54 Cb -0.77 1.42 0.19 0.00 -1.71 0.00 0.00 66.02 65.15 1wwg s SER 54 CO 0.50 -0.10 1.12 -0.22 1.20 0.00 0.00 173.24 175.74 1wwg s LEU 55 N 2.00 1.59 0.00 3.45 0.20 -1.26 -5.29 118.68 119.37 1wwg s LEU 55 Ca -0.04 0.97 0.00 0.00 0.69 0.00 0.00 54.13 55.75 1wwg s LEU 55 Cb -0.04 -3.10 0.00 0.00 -0.43 0.00 0.00 46.19 42.61 1wwg s LEU 55 CO -0.16 -3.12 0.23 -0.11 -0.29 0.00 0.00 176.35 172.90