#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 0.12 0.00 0.00 2.01 -1.26 -4.98 115.64 111.53 1wwg s THR 2 Ca 0.00 0.03 0.00 0.00 0.31 0.00 0.00 61.69 62.03 1wwg s THR 2 Cb 0.00 -0.17 0.00 0.00 0.01 0.00 0.00 72.50 72.34 1wwg s THR 2 CO 0.00 0.09 0.00 0.55 -0.69 0.00 0.00 174.62 174.57 1wwg n VAL 3 N 3.63 0.00 -2.58 3.82 3.14 -1.26 -5.03 118.33 120.05 1wwg n VAL 3 Ca -0.20 0.00 -0.38 0.00 -2.96 0.00 0.00 64.34 60.79 1wwg n VAL 3 Cb 0.54 0.00 -0.05 0.00 -1.06 0.00 0.00 33.84 33.28 1wwg n VAL 3 CO 0.00 0.00 0.00 0.54 -6.46 0.00 0.00 176.83 170.91 1wwg s VAL 4 N -1.69 3.74 0.00 1.55 0.11 -1.26 -3.95 120.40 118.90 1wwg s VAL 4 Ca 0.00 1.54 0.00 0.00 -2.93 0.00 0.00 61.98 60.59 1wwg s VAL 4 Cb 0.00 -3.89 0.00 0.00 -1.53 0.00 0.00 36.38 30.96 1wwg s VAL 4 CO 0.00 0.20 0.00 -0.24 -3.33 0.00 0.00 175.10 171.73 1wwg n SER 5 N 0.63 0.00 -4.50 3.54 2.88 -1.26 -4.85 113.62 110.06 1wwg n SER 5 Ca 0.02 0.00 -0.42 0.00 -1.33 0.00 0.00 58.87 57.14 1wwg n SER 5 Cb 0.48 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 63.86 1wwg n SER 5 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wwg n GLY 6 N 0.00 0.06 3.28 0.46 0.00 -1.25 -4.90 105.19 102.83 1wwg n GLY 6 Ca 0.00 0.89 -0.24 0.00 0.00 0.00 0.00 46.02 46.67 1wwg n GLY 6 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1wwg s GLN 7 N 7.92 1.13 -0.53 1.61 -0.21 -1.26 -4.76 119.66 123.56 1wwg s GLN 7 Ca 1.13 -1.14 -0.26 0.00 0.02 0.00 0.00 55.36 55.12 1wwg s GLN 7 Cb -0.71 -1.37 -0.06 0.00 1.00 0.00 0.00 33.01 31.87 1wwg s GLN 7 CO 0.40 0.32 2.29 0.21 -2.12 0.00 0.00 175.29 176.39 1wwg s LYS 8 N -1.84 2.20 -0.38 2.91 2.47 -1.26 -4.89 119.74 118.95 1wwg s LYS 8 Ca 0.06 1.20 0.03 0.00 -1.56 0.00 0.00 55.97 55.70 1wwg s LYS 8 Cb -0.10 -4.55 0.11 0.00 -1.46 0.00 0.00 37.83 31.83 1wwg s LYS 8 CO 0.04 -3.19 0.11 -1.14 0.16 0.00 0.00 175.35 171.32 1wwg s GLN 9 N 8.01 1.64 -0.14 4.03 2.00 -1.26 -5.08 119.66 128.85 1wwg s GLN 9 Ca 0.91 -1.96 -0.17 0.00 -2.00 0.00 0.00 55.36 52.14 1wwg s GLN 9 Cb -0.16 -3.30 -0.04 0.00 0.80 0.00 0.00 33.01 30.31 1wwg s GLN 9 CO 0.24 -0.98 0.44 -0.51 -0.50 0.00 0.00 175.29 173.98 1wwg s ASP 10 N 0.94 6.60 0.02 6.67 1.11 -1.26 -5.06 116.67 125.69 1wwg s ASP 10 Ca 0.11 0.71 -0.21 0.00 0.18 0.00 0.00 52.55 53.34 1wwg s ASP 10 Cb -0.20 -2.26 -0.06 0.00 1.07 0.00 0.00 42.92 41.47 1wwg s ASP 10 CO -0.06 -0.01 0.62 -0.60 1.18 0.00 0.00 175.17 176.29 1wwg s ARG 11 N 0.80 4.33 -0.30 8.23 3.00 -1.26 -5.04 118.95 128.70 1wwg s ARG 11 Ca 0.23 0.79 0.00 0.00 -1.00 0.00 0.00 55.73 55.76 1wwg s ARG 11 Cb -0.15 -3.33 0.14 0.00 0.00 0.00 0.00 34.95 31.62 1wwg s ARG 11 CO 0.09 0.41 0.31 -0.65 0.00 0.00 0.00 175.30 175.46 1wwg s GLN 12 N -0.35 0.38 -0.00 5.12 -0.21 -1.26 -5.13 119.66 118.21 1wwg s GLN 12 Ca 0.32 -0.27 -0.12 0.00 0.02 0.00 0.00 55.36 55.31 1wwg s GLN 12 Cb -0.19 -0.66 0.04 0.00 1.00 0.00 0.00 33.01 33.20 1wwg s GLN 12 CO 0.18 -1.06 0.54 0.41 -2.12 0.00 0.00 175.29 173.24 1wwg n GLY 13 N 5.12 0.49 0.00 3.09 0.00 -1.26 -5.12 105.19 107.51 1wwg n GLY 13 Ca 0.00 -0.93 0.00 0.00 0.00 0.00 0.00 46.02 45.10 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 -0.38 -1.31 2.75 -0.02 0.00 -1.26 -4.97 105.19 100.00 1wwg n GLY 14 Ca 0.02 0.45 -0.34 0.00 0.00 0.00 0.00 46.02 46.14 1wwg n GLY 14 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1wwg n GLU 15 N 0.00 3.75 -4.62 1.61 0.28 -1.26 -5.00 120.64 115.41 1wwg n GLU 15 Ca 0.00 -4.35 -0.34 0.00 -0.16 0.00 0.00 57.16 52.31 1wwg n GLU 15 Cb 0.00 -2.31 -0.12 0.00 1.43 0.00 0.00 31.44 30.44 1wwg n GLU 15 CO 0.00 0.00 0.00 1.03 -0.16 0.00 0.00 177.13 178.00 1wwg s ARG 16 N -3.90 2.93 -0.11 3.44 0.52 -1.26 -5.10 118.95 115.47 1wwg s ARG 16 Ca 0.47 -0.56 -0.02 0.00 -0.52 0.00 0.00 55.73 55.09 1wwg s ARG 16 Cb 0.33 -2.63 0.04 0.00 0.52 0.00 0.00 34.95 33.21 1wwg s ARG 16 CO -0.23 0.56 0.03 0.50 0.02 0.00 0.00 175.30 176.19 1wwg s ARG 17 N -0.53 0.42 0.75 3.54 3.52 -1.26 -5.14 118.95 120.26 1wwg s ARG 17 Ca 0.08 -0.02 -0.13 0.00 -0.13 0.00 0.00 55.73 55.53 1wwg s ARG 17 Cb -0.12 -1.34 0.05 0.00 -1.56 0.00 0.00 34.95 31.98 1wwg s ARG 17 CO 0.02 -0.46 1.14 1.03 -0.81 0.00 0.00 175.30 176.23 1wwg s ARG 18 N 2.00 2.15 -1.00 5.12 3.00 -1.26 -4.70 118.95 124.26 1wwg s ARG 18 Ca 0.03 1.48 -0.24 0.00 0.00 0.00 0.00 55.73 57.01 1wwg s ARG 18 Cb -0.14 -1.86 -0.26 0.00 0.00 0.00 0.00 34.95 32.69 1wwg s ARG 18 CO -0.06 -1.77 2.51 0.43 0.00 0.00 0.00 175.30 176.41 1wwg n SER 19 N -3.08 -0.31 -3.82 0.23 7.64 -1.26 -0.92 113.62 112.09 1wwg n SER 19 Ca 0.11 -0.07 -0.24 0.00 1.01 0.00 0.00 58.87 59.68 1wwg n SER 19 Cb 0.52 -0.79 -0.05 0.00 -1.01 0.00 0.00 64.21 62.88 1wwg n SER 19 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1wwg n GLN 20 N 7.48 -0.84 -2.74 1.43 0.00 -1.26 -4.76 117.38 116.68 1wwg n GLN 20 Ca 0.67 0.02 -0.42 0.00 0.00 0.00 0.00 57.00 57.26 1wwg n GLN 20 Cb 0.07 -2.25 -0.03 0.00 0.00 0.00 0.00 30.24 28.03 1wwg n GLN 20 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.06 175.89 1wwg s LEU 21 N -6.23 4.23 0.66 2.61 0.20 -0.10 -4.97 118.68 115.08 1wwg s LEU 21 Ca 0.08 -1.59 -0.14 0.00 0.69 0.00 0.00 54.13 53.18 1wwg s LEU 21 Cb -0.05 -2.48 0.00 0.00 -0.43 0.00 0.00 46.19 43.23 1wwg s LEU 21 CO 0.70 -1.34 1.09 -0.62 -0.29 0.00 0.00 176.35 175.89 1wwg s ASP 22 N 4.19 5.22 0.00 3.68 2.15 -1.26 -4.84 116.67 125.81 1wwg s ASP 22 Ca 0.37 1.87 0.11 0.00 0.43 0.00 0.00 52.55 55.34 1wwg s ASP 22 Cb -0.04 -2.53 0.54 0.00 -0.30 0.00 0.00 42.92 40.58 1wwg s ASP 22 CO -0.06 -1.55 1.29 0.54 -0.17 0.00 0.00 175.17 175.22 1wwg n ARG 23 N -2.59 0.10 -0.68 4.34 5.12 -1.26 -1.36 116.66 120.34 1wwg n ARG 23 Ca 0.09 0.23 0.05 0.00 -1.93 0.00 0.00 57.85 56.29 1wwg n ARG 23 Cb 0.53 -1.50 0.10 0.00 -1.16 0.00 0.00 32.46 30.42 1wwg n ARG 23 CO 0.00 0.00 0.00 -0.25 -1.93 0.00 0.00 177.63 175.45 1wwg n ASP 24 N -1.36 1.29 -3.85 0.55 9.92 -1.26 -5.06 116.55 116.77 1wwg n ASP 24 Ca 0.04 -2.78 -0.18 0.00 -0.53 0.00 0.00 54.79 51.34 1wwg n ASP 24 Cb 0.10 -0.37 -0.01 0.00 -0.64 0.00 0.00 41.12 40.21 1wwg n ASP 24 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1wwg n GLN 25 N -0.52 0.99 -4.64 -1.24 6.02 -0.46 -1.80 117.38 115.73 1wwg n GLN 25 Ca 0.11 -2.30 -0.33 0.00 -0.01 0.00 0.00 57.00 54.46 1wwg n GLN 25 Cb 0.80 0.31 -0.12 0.00 1.02 0.00 0.00 30.24 32.25 1wwg n GLN 25 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1wwg n ALA 27 N 2.90 5.29 0.05 0.00 0.00 -1.26 -3.20 120.51 124.29 1wwg n ALA 27 Ca -0.18 -2.90 0.00 0.00 0.00 0.00 0.00 53.44 50.37 1wwg n ALA 27 Cb 0.53 -1.30 0.00 0.00 0.00 0.00 0.00 19.45 18.67 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 -1.06 -0.52 0.01 0.00 9.36 -1.26 -4.87 117.16 118.82 1wwg n TYR 28 Ca 0.54 0.09 -0.04 0.00 3.32 0.00 0.00 57.90 61.80 1wwg n TYR 28 Cb 1.54 0.18 -0.11 0.00 -0.63 0.00 0.00 39.34 40.32 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 -2.99 0.00 -2.64 0.00 3.00 -1.20 -5.09 118.16 109.24 1wwg n LYS 30 Ca -0.12 0.04 -0.23 0.00 -0.00 0.00 0.00 58.31 58.00 1wwg n LYS 30 Cb 0.95 -1.12 0.10 0.00 0.00 0.00 0.00 35.03 34.96 1wwg n LYS 30 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.40 175.40 1wwg s GLU 31 N -1.55 1.78 -0.04 1.64 -6.30 -1.25 -4.82 118.70 108.16 1wwg s GLU 31 Ca 0.00 -1.17 0.02 0.00 -2.50 0.00 0.00 54.97 51.32 1wwg s GLU 31 Cb 0.00 -2.37 0.01 0.00 0.00 0.00 0.00 34.13 31.77 1wwg s GLU 31 CO 0.00 -1.35 -0.07 -1.59 0.02 0.00 0.00 175.26 172.27 1wwg s LYS 32 N -5.07 0.96 0.00 4.30 0.00 -1.26 0.36 119.74 119.03 1wwg s LYS 32 Ca 0.65 -0.21 0.00 0.00 0.00 0.00 0.00 55.97 56.42 1wwg s LYS 32 Cb -0.05 -0.91 0.00 0.00 0.00 0.00 0.00 37.83 36.87 1wwg s LYS 32 CO 0.43 -0.00 0.00 0.41 0.00 0.00 0.00 175.35 176.19 1wwg n GLY 33 N 3.75 1.55 3.18 0.59 0.00 -0.74 -4.99 105.19 108.53 1wwg n GLY 33 Ca -0.23 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.68 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 -1.29 0.93 0.28 1.61 -3.43 -1.26 -5.00 115.29 107.14 1wwg s HIS 34 Ca 0.00 -0.88 0.03 0.00 -0.80 0.00 0.00 55.06 53.41 1wwg s HIS 34 Cb 0.00 -0.53 -0.03 0.00 -1.43 0.00 0.00 32.58 30.59 1wwg s HIS 34 CO 0.00 -0.12 0.44 -1.58 -2.00 0.00 0.00 174.74 171.48 1wwg s TRP 35 N -3.50 3.47 0.39 0.38 0.52 -1.26 -2.70 118.94 116.24 1wwg s TRP 35 Ca 0.12 0.15 0.07 0.00 0.02 0.00 0.00 56.10 56.45 1wwg s TRP 35 Cb 0.04 -1.72 0.81 0.00 -1.15 0.00 0.00 33.47 31.46 1wwg s TRP 35 CO -0.04 0.30 2.03 0.00 0.02 0.00 0.00 176.95 179.26 1wwg h ALA 36 N 1.03 1.70 0.00 0.98 0.00 -1.91 0.53 119.26 121.58 1wwg h ALA 36 Ca -0.51 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.37 1wwg h ALA 36 Cb 1.22 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.83 1wwg h ALA 36 CO 0.61 0.25 0.00 1.63 0.00 0.00 0.00 179.25 181.74 1wwg n LYS 37 N -4.47 0.00 -0.93 0.00 4.01 -1.26 -1.42 118.16 114.09 1wwg n LYS 37 Ca 0.06 0.34 0.04 0.00 -0.51 0.00 0.00 58.31 58.24 1wwg n LYS 37 Cb 0.11 -1.50 0.07 0.00 -0.51 0.00 0.00 35.03 33.19 1wwg n LYS 37 CO 0.00 0.00 0.00 -3.47 -1.11 0.00 0.00 177.40 172.82 1wwg n ASP 38 N -1.51 1.07 -4.72 4.39 -0.08 0.16 -5.07 116.55 110.79 1wwg n ASP 38 Ca 0.02 -2.53 -0.42 0.00 -1.51 0.00 0.00 54.79 50.36 1wwg n ASP 38 Cb 0.11 -0.34 -0.03 0.00 2.34 0.00 0.00 41.12 43.20 1wwg n ASP 38 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1wwg n PRO 40 N 4.14 0.75 -0.26 0.00 -0.04 -1.26 -1.92 135.00 136.40 1wwg n PRO 40 Ca 0.14 0.00 0.06 0.00 -0.04 0.00 0.00 63.50 63.67 1wwg n PRO 40 Cb 0.38 -1.46 0.19 0.00 -0.04 0.00 0.00 33.50 32.57 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 -0.96 2.91 -3.49 0.54 4.81 -1.26 -4.99 118.16 115.71 1wwg n LYS 41 Ca 0.17 -2.29 -0.30 0.00 -0.87 0.00 0.00 58.31 55.02 1wwg n LYS 41 Cb 0.08 -1.44 -0.04 0.00 0.02 0.00 0.00 35.03 33.64 1wwg n LYS 41 CO 0.00 0.00 0.00 0.15 1.17 0.00 0.00 177.40 178.72 1wwg s LYS 42 N -1.52 3.64 0.24 1.64 1.02 -0.81 -5.10 119.74 118.85 1wwg s LYS 42 Ca 0.29 -0.02 -0.04 0.00 0.02 0.00 0.00 55.97 56.22 1wwg s LYS 42 Cb 0.19 -2.73 0.06 0.00 -0.52 0.00 0.00 37.83 34.83 1wwg s LYS 42 CO 0.14 0.33 0.26 -0.35 -0.92 0.00 0.00 175.35 174.81 1wwg n PRO 43 N -0.48 -0.87 -2.67 -1.68 -0.04 -1.26 -5.04 135.00 122.96 1wwg n PRO 43 Ca -0.02 -0.41 -0.04 0.00 -0.04 0.00 0.00 63.50 62.99 1wwg n PRO 43 Cb 0.53 -0.32 0.07 0.00 -0.04 0.00 0.00 33.50 33.74 1wwg n PRO 43 CO 0.00 0.00 0.00 2.89 -0.04 0.00 0.00 175.50 178.35 1wwg n ARG 44 N -1.91 0.27 0.00 0.54 1.85 -1.26 -5.13 116.66 111.02 1wwg n ARG 44 Ca 0.03 -0.85 0.00 0.00 -1.00 0.00 0.00 57.85 56.03 1wwg n ARG 44 Cb 0.13 -0.17 0.00 0.00 -1.05 0.00 0.00 32.46 31.36 1wwg n ARG 44 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1wwg n GLY 45 N 0.13 -1.35 2.65 2.89 0.00 -1.26 -4.99 105.19 103.26 1wwg n GLY 45 Ca -0.11 -1.54 -0.21 0.00 0.00 0.00 0.00 46.02 44.15 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 -1.19 -1.72 -4.53 1.61 -0.04 -1.26 -5.16 135.00 122.71 1wwg n PRO 46 Ca 0.00 -1.37 -0.31 0.00 -0.04 0.00 0.00 63.50 61.78 1wwg n PRO 46 Cb 0.00 -1.08 -0.12 0.00 -0.04 0.00 0.00 33.50 32.26 1wwg n PRO 46 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1wwg s ARG 47 N -4.94 2.07 0.00 0.54 3.00 -1.26 -5.10 118.95 113.26 1wwg s ARG 47 Ca 0.53 -1.00 0.00 0.00 0.00 0.00 0.00 55.73 55.26 1wwg s ARG 47 Cb -0.03 -2.22 0.00 0.00 0.00 0.00 0.00 34.95 32.70 1wwg s ARG 47 CO 0.39 0.53 0.00 0.41 0.00 0.00 0.00 175.30 176.63 1wwg n GLY 48 N 1.32 1.48 3.78 -3.53 0.00 -1.26 -5.13 105.19 101.85 1wwg n GLY 48 Ca -0.16 -1.27 -0.37 0.00 0.00 0.00 0.00 46.02 44.23 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 -1.95 4.16 -0.75 1.61 0.04 -1.26 -4.86 135.00 131.99 1wwg s PRO 49 Ca 0.00 1.52 -0.33 0.00 0.04 0.00 0.00 61.00 62.23 1wwg s PRO 49 Cb 0.00 -2.55 -0.18 0.00 0.04 0.00 0.00 34.50 31.81 1wwg s PRO 49 CO 0.00 -0.14 2.49 0.54 0.04 0.00 0.00 177.00 179.93 1wwg n ARG 50 N -0.06 0.29 -1.33 4.56 5.12 -1.26 -4.88 116.66 119.10 1wwg n ARG 50 Ca 0.05 0.03 -0.27 0.00 -1.93 0.00 0.00 57.85 55.74 1wwg n ARG 50 Cb 0.49 -1.92 0.20 0.00 -1.16 0.00 0.00 32.46 30.08 1wwg n ARG 50 CO 0.00 0.00 0.00 -0.35 -1.93 0.00 0.00 177.63 175.35 1wwg n PRO 51 N 8.36 -2.03 -1.46 5.56 -0.04 -1.26 -4.92 135.00 139.21 1wwg n PRO 51 Ca 0.57 -1.71 0.18 0.00 -0.04 0.00 0.00 63.50 62.49 1wwg n PRO 51 Cb 0.12 -1.35 -0.09 0.00 -0.04 0.00 0.00 33.50 32.14 1wwg n PRO 51 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 1wwg n GLN 52 N -4.00 -3.32 -1.18 0.54 6.02 -1.26 -4.97 117.38 109.21 1wwg n GLN 52 Ca 0.14 2.67 0.13 0.00 -0.01 0.00 0.00 57.00 59.93 1wwg n GLN 52 Cb 0.52 -3.90 -0.06 0.00 1.02 0.00 0.00 30.24 27.82 1wwg n GLN 52 CO 0.00 0.00 0.00 -2.37 -1.01 0.00 0.00 177.06 173.68 1wwg n THR 53 N -4.36 -0.28 -1.92 5.09 5.66 -1.26 -4.84 114.28 112.36 1wwg n THR 53 Ca -0.08 0.48 -0.30 0.00 -3.05 0.00 0.00 64.05 61.09 1wwg n THR 53 Cb 0.69 -0.83 0.02 0.00 -1.55 0.00 0.00 70.33 68.66 1wwg n THR 53 CO 0.00 0.00 0.00 -0.44 -3.05 0.00 0.00 175.07 171.58 1wwg s SER 54 N -6.23 6.01 0.04 1.09 0.01 -1.26 -5.09 113.70 108.27 1wwg s SER 54 Ca 0.00 1.30 -0.01 0.00 1.31 0.00 0.00 55.95 58.55 1wwg s SER 54 Cb 0.00 -2.30 -0.03 0.00 0.21 0.00 0.00 66.02 63.91 1wwg s SER 54 CO 0.00 -0.99 -0.01 -1.48 0.41 0.00 0.00 173.24 171.17 1wwg s LEU 55 N -5.20 2.29 0.00 2.44 0.05 -1.26 -5.14 118.68 111.86 1wwg s LEU 55 Ca 0.55 -0.75 0.08 0.00 0.05 0.00 0.00 54.13 54.06 1wwg s LEU 55 Cb -0.11 0.23 0.06 0.00 -2.05 0.00 0.00 46.19 44.33 1wwg s LEU 55 CO 0.53 -0.48 0.75 0.00 -0.55 0.00 0.00 176.35 176.59