#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 4.58 0.40 0.00 2.01 -1.26 -5.02 115.64 116.36 1wwg s THR 2 Ca 0.00 -0.39 -0.25 0.00 0.31 0.00 0.00 61.69 61.36 1wwg s THR 2 Cb 0.00 -4.52 -0.11 0.00 0.01 0.00 0.00 72.50 67.88 1wwg s THR 2 CO 0.00 -1.16 1.01 0.55 -0.69 0.00 0.00 174.62 174.34 1wwg n VAL 3 N 5.82 2.36 -3.33 3.82 3.14 -1.26 -4.95 118.33 123.94 1wwg n VAL 3 Ca -0.05 -0.50 -0.35 0.00 -2.96 0.00 0.00 64.34 60.49 1wwg n VAL 3 Cb 0.45 -1.15 -0.06 0.00 -1.06 0.00 0.00 33.84 32.03 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 -1.25 4.83 0.30 1.55 0.11 -1.26 -5.09 120.40 119.59 1wwg s VAL 4 Ca 0.62 0.83 0.09 0.00 -2.93 0.00 0.00 61.98 60.59 1wwg s VAL 4 Cb -0.57 -3.73 -0.06 0.00 -1.53 0.00 0.00 36.38 30.49 1wwg s VAL 4 CO 0.57 0.19 -0.11 -0.94 -3.33 0.00 0.00 175.10 171.48 1wwg s SER 5 N -1.81 3.30 0.00 3.54 1.04 -1.26 -5.16 113.70 113.35 1wwg s SER 5 Ca 0.40 -1.15 0.00 0.00 0.48 0.00 0.00 55.95 55.68 1wwg s SER 5 Cb -0.14 -0.26 0.00 0.00 0.10 0.00 0.00 66.02 65.71 1wwg s SER 5 CO 0.19 -0.20 0.00 0.61 0.98 0.00 0.00 173.24 174.83 1wwg n GLY 6 N -0.66 6.86 3.60 7.32 0.00 -1.26 -5.18 105.19 115.88 1wwg n GLY 6 Ca -0.05 -1.83 -0.03 0.00 0.00 0.00 0.00 46.02 44.10 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 1.14 0.30 -0.45 1.61 -1.52 -1.26 -5.12 119.66 114.36 1wwg s GLN 7 Ca 0.00 -0.12 0.03 0.00 -1.95 0.00 0.00 55.36 53.31 1wwg s GLN 7 Cb 0.00 0.13 0.19 0.00 -0.22 0.00 0.00 33.01 33.11 1wwg s GLN 7 CO 0.00 -0.13 0.83 0.15 -0.25 0.00 0.00 175.29 175.89 1wwg s LYS 8 N -2.38 0.76 -0.05 2.91 1.02 -1.26 -5.15 119.74 115.59 1wwg s LYS 8 Ca 0.10 -0.68 0.06 0.00 0.02 0.00 0.00 55.97 55.48 1wwg s LYS 8 Cb 0.00 -0.01 -0.01 0.00 -0.52 0.00 0.00 37.83 37.28 1wwg s LYS 8 CO -0.04 -0.97 -0.24 -0.65 -0.92 0.00 0.00 175.35 172.53 1wwg s GLN 9 N 1.10 2.52 0.75 1.68 -0.21 -1.26 -5.12 119.66 119.12 1wwg s GLN 9 Ca 0.25 -0.88 -0.11 0.00 0.02 0.00 0.00 55.36 54.64 1wwg s GLN 9 Cb 0.03 -2.18 0.04 0.00 1.00 0.00 0.00 33.01 31.90 1wwg s GLN 9 CO -0.07 0.42 1.08 0.16 -2.12 0.00 0.00 175.29 174.75 1wwg s ASP 10 N -0.25 4.84 -0.39 5.90 1.47 -1.26 -5.02 116.67 121.97 1wwg s ASP 10 Ca -0.01 1.61 -0.09 0.00 1.18 0.00 0.00 52.55 55.24 1wwg s ASP 10 Cb -0.13 -2.40 0.05 0.00 -0.34 0.00 0.00 42.92 40.10 1wwg s ASP 10 CO 0.03 -1.79 0.21 -0.60 0.68 0.00 0.00 175.17 173.70 1wwg s ARG 11 N -5.02 2.69 0.75 2.11 3.52 -1.26 -5.08 118.95 116.67 1wwg s ARG 11 Ca 0.60 -1.26 -0.12 0.00 -0.13 0.00 0.00 55.73 54.82 1wwg s ARG 11 Cb -0.15 -3.70 0.05 0.00 -1.56 0.00 0.00 34.95 29.59 1wwg s ARG 11 CO 0.55 -0.80 1.11 -1.14 -0.81 0.00 0.00 175.30 174.22 1wwg s GLN 12 N 1.47 2.27 0.31 5.12 0.74 -1.26 -5.06 119.66 123.25 1wwg s GLN 12 Ca 0.02 1.33 0.03 0.00 0.05 0.00 0.00 55.36 56.78 1wwg s GLN 12 Cb -0.21 -1.89 -0.04 0.00 1.10 0.00 0.00 33.01 31.97 1wwg s GLN 12 CO 0.04 -1.65 0.14 0.20 -0.55 0.00 0.00 175.29 173.47 1wwg s GLY 13 N -2.96 2.05 0.23 2.59 0.00 -1.26 -5.18 107.32 102.80 1wwg s GLY 13 Ca 0.65 -1.75 -0.11 0.00 0.00 0.00 0.00 44.72 43.51 1wwg s GLY 13 CO 0.51 -1.62 0.41 -0.32 0.00 0.00 0.00 173.10 172.08 1wwg s GLY 14 N -3.39 0.68 0.78 0.20 0.00 -1.26 -5.03 107.32 99.30 1wwg s GLY 14 Ca 0.35 -1.01 -0.14 0.00 0.00 0.00 0.00 44.72 43.92 1wwg s GLY 14 CO 0.17 -0.76 1.23 -1.83 0.00 0.00 0.00 173.10 171.90 1wwg s GLU 15 N -4.04 1.80 -0.54 2.90 -1.05 -1.26 -4.94 118.70 111.56 1wwg s GLU 15 Ca 0.25 1.84 -0.20 0.00 -0.15 0.00 0.00 54.97 56.71 1wwg s GLU 15 Cb 0.01 -1.78 0.07 0.00 -0.44 0.00 0.00 34.13 31.98 1wwg s GLU 15 CO 0.09 -2.11 0.72 0.50 0.95 0.00 0.00 175.26 175.40 1wwg s ARG 16 N -3.97 3.13 -0.32 -4.83 3.52 -1.26 -4.82 118.95 110.40 1wwg s ARG 16 Ca 0.75 -0.89 -0.04 0.00 -0.13 0.00 0.00 55.73 55.43 1wwg s ARG 16 Cb -0.31 -4.14 0.27 0.00 -1.56 0.00 0.00 34.95 29.21 1wwg s ARG 16 CO 0.48 -1.38 1.24 -2.13 -0.81 0.00 0.00 175.30 172.70 1wwg n ARG 17 N 6.53 0.09 -1.70 5.12 0.63 -1.26 -5.04 116.66 121.02 1wwg n ARG 17 Ca -0.06 -0.65 -0.35 0.00 -0.92 0.00 0.00 57.85 55.88 1wwg n ARG 17 Cb 0.45 -0.11 -0.03 0.00 0.45 0.00 0.00 32.46 33.21 1wwg n ARG 17 CO 0.00 0.00 0.00 2.89 -2.51 0.00 0.00 177.63 178.01 1wwg n ARG 18 N 1.66 3.76 -1.55 -0.14 1.85 -1.26 -4.96 116.66 116.02 1wwg n ARG 18 Ca 0.02 -2.84 -0.65 0.00 -1.00 0.00 0.00 57.85 53.39 1wwg n ARG 18 Cb 0.70 -2.49 -0.11 0.00 -1.05 0.00 0.00 32.46 29.51 1wwg n ARG 18 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 177.63 178.07 1wwg n SER 19 N 1.83 1.06 -3.50 2.89 2.88 -1.26 -0.69 113.62 116.82 1wwg n SER 19 Ca 0.60 0.98 -0.13 0.00 -1.33 0.00 0.00 58.87 58.99 1wwg n SER 19 Cb 0.37 -0.89 -0.01 0.00 -0.75 0.00 0.00 64.21 62.92 1wwg n SER 19 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1wwg n GLN 20 N 5.41 -0.87 -2.15 -1.46 3.00 -1.26 -4.63 117.38 115.41 1wwg n GLN 20 Ca 0.40 -0.16 -0.30 0.00 -0.01 0.00 0.00 57.00 56.93 1wwg n GLN 20 Cb -0.05 -0.65 -0.05 0.00 0.00 0.00 0.00 30.24 29.49 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 -5.18 3.22 0.50 1.08 0.20 0.13 -4.93 118.68 113.69 1wwg s LEU 21 Ca 0.09 -1.24 -0.20 0.00 0.69 0.00 0.00 54.13 53.47 1wwg s LEU 21 Cb -0.05 -2.57 -0.11 0.00 -0.43 0.00 0.00 46.19 43.03 1wwg s LEU 21 CO 0.33 -2.60 0.51 -0.67 -0.29 0.00 0.00 176.35 173.62 1wwg n ASP 22 N 13.13 -1.07 0.00 3.68 -0.08 -1.26 -4.78 116.55 126.16 1wwg n ASP 22 Ca 0.42 0.81 0.08 0.00 -1.51 0.00 0.00 54.79 54.59 1wwg n ASP 22 Cb 0.47 -1.13 0.43 0.00 2.34 0.00 0.00 41.12 43.23 1wwg n ASP 22 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 1wwg n ARG 23 N 0.33 0.33 -0.22 -0.67 5.12 -1.26 -1.52 116.66 118.76 1wwg n ARG 23 Ca 0.11 0.09 0.04 0.00 -1.93 0.00 0.00 57.85 56.16 1wwg n ARG 23 Cb 0.44 -1.50 0.06 0.00 -1.16 0.00 0.00 32.46 30.30 1wwg n ARG 23 CO 0.00 0.00 0.00 -0.40 -1.93 0.00 0.00 177.63 175.30 1wwg n ASP 24 N -1.18 1.17 -4.22 0.55 5.68 -1.26 -5.02 116.55 112.27 1wwg n ASP 24 Ca 0.09 -2.33 -0.33 0.00 -0.50 0.00 0.00 54.79 51.72 1wwg n ASP 24 Cb 0.10 -0.25 -0.15 0.00 -1.14 0.00 0.00 41.12 39.68 1wwg n ASP 24 CO 0.00 0.00 0.00 -1.58 -1.33 0.00 0.00 177.20 174.29 1wwg s GLN 25 N -1.26 3.15 0.76 0.11 0.74 -0.58 -1.81 119.66 120.76 1wwg s GLN 25 Ca 0.13 -0.77 -0.16 0.00 0.05 0.00 0.00 55.36 54.61 1wwg s GLN 25 Cb 0.11 -2.64 -0.08 0.00 1.10 0.00 0.00 33.01 31.50 1wwg s GLN 25 CO 0.01 -0.09 0.09 0.00 -0.55 0.00 0.00 175.29 174.76 1wwg n ALA 27 N -2.34 2.43 0.01 0.00 0.00 -1.26 -3.48 120.51 115.87 1wwg n ALA 27 Ca 0.07 -0.21 -0.03 0.00 0.00 0.00 0.00 53.44 53.26 1wwg n ALA 27 Cb 0.51 -0.30 -0.02 0.00 0.00 0.00 0.00 19.45 19.64 1wwg n ALA 27 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.50 176.58 1wwg h TYR 28 N 0.00 -0.12 0.03 0.00 5.03 -1.91 -3.40 116.97 116.59 1wwg h TYR 28 Ca 0.00 -0.00 -0.37 0.00 2.58 0.00 0.00 58.73 60.94 1wwg h TYR 28 Cb 0.38 0.04 -0.05 0.00 1.55 0.00 0.00 36.73 38.64 1wwg h TYR 28 CO 0.00 -0.00 -2.26 0.00 -1.32 0.00 0.00 178.16 174.58 1wwg n LYS 30 N -3.20 0.00 -3.33 0.00 4.76 -1.23 -5.06 118.16 110.10 1wwg n LYS 30 Ca -0.37 0.01 -0.39 0.00 -2.87 0.00 0.00 58.31 54.69 1wwg n LYS 30 Cb 1.04 -0.40 -0.08 0.00 -1.84 0.00 0.00 35.03 33.75 1wwg n LYS 30 CO 0.00 0.00 0.00 -2.00 -1.37 0.00 0.00 177.40 174.03 1wwg s GLU 31 N -1.13 4.08 -0.04 1.97 2.56 -1.26 -4.67 118.70 120.21 1wwg s GLU 31 Ca 0.00 0.19 -0.30 0.00 0.00 0.00 0.00 54.97 54.86 1wwg s GLU 31 Cb 0.00 -3.62 -0.04 0.00 2.00 0.00 0.00 34.13 32.47 1wwg s GLU 31 CO 0.00 -0.23 1.26 0.21 -0.56 0.00 0.00 175.26 175.94 1wwg s LYS 32 N 1.93 4.33 0.00 4.30 2.20 -1.26 -1.40 119.74 129.84 1wwg s LYS 32 Ca 0.18 1.76 0.00 0.00 -0.36 0.00 0.00 55.97 57.55 1wwg s LYS 32 Cb -0.15 -3.57 0.00 0.00 -1.51 0.00 0.00 37.83 32.60 1wwg s LYS 32 CO 0.09 -0.49 0.00 0.41 -0.36 0.00 0.00 175.35 175.00 1wwg n GLY 33 N 3.46 3.46 3.78 5.54 0.00 -0.75 -4.96 105.19 115.72 1wwg n GLY 33 Ca 0.12 -0.55 -0.23 0.00 0.00 0.00 0.00 46.02 45.36 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 3.02 0.44 1.61 -3.43 -1.25 -4.98 115.29 110.71 1wwg s HIS 34 Ca 0.00 -0.13 0.02 0.00 -0.80 0.00 0.00 55.06 54.16 1wwg s HIS 34 Cb 0.00 -1.37 0.00 0.00 -1.43 0.00 0.00 32.58 29.79 1wwg s HIS 34 CO 0.00 0.54 0.64 -1.58 -2.00 0.00 0.00 174.74 172.34 1wwg s TRP 35 N -2.13 3.11 0.29 0.38 0.52 -1.26 -2.51 118.94 117.34 1wwg s TRP 35 Ca 0.32 0.06 -0.02 0.00 0.02 0.00 0.00 56.10 56.48 1wwg s TRP 35 Cb -0.08 -2.33 0.45 0.00 -1.15 0.00 0.00 33.47 30.36 1wwg s TRP 35 CO 0.24 -0.38 1.93 0.00 0.02 0.00 0.00 176.95 178.75 1wwg h ALA 36 N 0.46 1.43 0.00 0.98 0.00 -1.92 0.55 119.26 120.77 1wwg h ALA 36 Ca -0.45 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1wwg h ALA 36 Cb 1.26 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.74 1wwg h ALA 36 CO 0.55 0.47 0.00 1.63 0.00 0.00 0.00 179.25 181.90 1wwg n LYS 37 N -4.45 0.01 -0.44 0.00 4.01 -1.26 -1.09 118.16 114.95 1wwg n LYS 37 Ca 0.12 0.34 0.07 0.00 -0.51 0.00 0.00 58.31 58.33 1wwg n LYS 37 Cb 0.12 -1.52 0.12 0.00 -0.51 0.00 0.00 35.03 33.24 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 -1.54 1.63 -4.71 4.39 -0.08 0.17 -5.05 116.55 111.36 1wwg n ASP 38 Ca 0.02 -3.01 -0.42 0.00 -1.51 0.00 0.00 54.79 49.87 1wwg n ASP 38 Cb 0.12 -0.40 -0.03 0.00 2.34 0.00 0.00 41.12 43.14 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 3.86 0.75 0.08 0.00 -0.04 -1.26 -2.13 135.00 136.26 1wwg n PRO 40 Ca 0.09 0.00 0.09 0.00 -0.04 0.00 0.00 63.50 63.64 1wwg n PRO 40 Cb 0.46 -1.49 -0.03 0.00 -0.04 0.00 0.00 33.50 32.40 1wwg n PRO 40 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1wwg n LYS 41 N -0.99 0.61 -1.46 0.54 5.02 -1.26 -4.88 118.16 115.75 1wwg n LYS 41 Ca 0.17 0.10 -0.44 0.00 -2.02 0.00 0.00 58.31 56.13 1wwg n LYS 41 Cb 0.08 -1.79 -0.13 0.00 -0.02 0.00 0.00 35.03 33.17 1wwg n LYS 41 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1wwg n LYS 42 N -2.67 0.17 -0.03 1.97 4.76 -0.91 -4.77 118.16 116.69 1wwg n LYS 42 Ca -0.02 0.01 -0.13 0.00 -2.87 0.00 0.00 58.31 55.30 1wwg n LYS 42 Cb 0.60 -1.77 -0.11 0.00 -1.84 0.00 0.00 35.03 31.92 1wwg n LYS 42 CO 0.00 0.00 0.00 -1.00 -1.37 0.00 0.00 177.40 175.03 1wwg h PRO 43 N 12.40 -0.03 -3.72 1.97 0.13 -1.91 -3.50 132.00 137.34 1wwg h PRO 43 Ca -0.09 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.04 1wwg h PRO 43 Cb 1.32 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.46 1wwg h PRO 43 CO 1.30 0.66 -0.92 0.54 -0.23 0.00 0.00 178.00 179.35 1wwg n ARG 44 N -4.75 -4.55 -0.53 0.86 1.74 -1.26 -4.91 116.66 103.25 1wwg n ARG 44 Ca -0.09 3.40 -0.19 0.00 -0.77 0.00 0.00 57.85 60.20 1wwg n ARG 44 Cb 0.35 -3.86 0.15 0.00 -1.02 0.00 0.00 32.46 28.07 1wwg n ARG 44 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1wwg n GLY 45 N -1.03 -2.52 3.77 -0.13 0.00 -1.26 -4.86 105.19 99.16 1wwg n GLY 45 Ca 0.00 -0.83 -0.30 0.00 0.00 0.00 0.00 46.02 44.89 1wwg n GLY 45 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wwg s PRO 46 N -3.49 -0.31 0.27 1.61 0.04 -1.26 -5.12 135.00 126.73 1wwg s PRO 46 Ca 0.38 -0.26 0.00 0.00 0.04 0.00 0.00 61.00 61.16 1wwg s PRO 46 Cb -0.06 -1.72 0.00 0.00 0.04 0.00 0.00 34.50 32.76 1wwg s PRO 46 CO 0.36 -3.07 0.00 -2.13 0.04 0.00 0.00 177.00 172.20 1wwg n ARG 47 N -4.27 -1.68 0.00 4.56 0.63 -1.26 -5.09 116.66 109.55 1wwg n ARG 47 Ca 0.14 1.33 0.00 0.00 -0.92 0.00 0.00 57.85 58.41 1wwg n ARG 47 Cb 0.59 -1.76 0.00 0.00 0.45 0.00 0.00 32.46 31.74 1wwg n ARG 47 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1wwg n GLY 48 N -2.44 0.88 0.00 5.14 0.00 -1.26 -4.92 105.19 102.58 1wwg n GLY 48 Ca -0.02 -0.52 0.00 0.00 0.00 0.00 0.00 46.02 45.48 1wwg n GLY 48 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1wwg n PRO 49 N 0.00 -0.38 -3.40 1.61 -0.04 -1.26 -5.06 135.00 126.47 1wwg n PRO 49 Ca 0.00 0.00 -0.27 0.00 -0.04 0.00 0.00 63.50 63.19 1wwg n PRO 49 Cb 0.00 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.36 1wwg n PRO 49 CO 0.00 0.00 0.00 0.50 -0.04 0.00 0.00 175.50 175.96 1wwg s ARG 50 N -2.76 0.79 0.97 0.54 3.52 -1.26 -5.13 118.95 115.62 1wwg s ARG 50 Ca 0.00 -1.83 -0.16 0.00 -0.13 0.00 0.00 55.73 53.60 1wwg s ARG 50 Cb 0.00 -1.35 0.23 0.00 -1.56 0.00 0.00 34.95 32.28 1wwg s ARG 50 CO 0.00 -1.33 1.07 -0.35 -0.81 0.00 0.00 175.30 173.88 1wwg n PRO 51 N 3.24 -1.99 -3.12 5.12 -0.04 -1.26 -4.45 135.00 132.49 1wwg n PRO 51 Ca 0.24 -1.68 -0.11 0.00 -0.04 0.00 0.00 63.50 61.90 1wwg n PRO 51 Cb 0.45 -1.32 0.05 0.00 -0.04 0.00 0.00 33.50 32.64 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 -3.95 -1.96 0.00 0.54 6.02 -1.26 -3.92 117.38 112.85 1wwg n GLN 52 Ca 0.14 0.94 0.00 0.00 -0.01 0.00 0.00 57.00 58.07 1wwg n GLN 52 Cb 0.51 -5.59 0.00 0.00 1.02 0.00 0.00 30.24 26.18 1wwg n GLN 52 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 177.06 178.46 1wwg n THR 53 N -2.86 0.00 0.08 5.09 -1.04 -1.26 -3.87 114.28 110.42 1wwg n THR 53 Ca -0.05 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.96 1wwg n THR 53 Cb 0.59 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.10 1wwg n THR 53 CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19 1wwg n SER 54 N 1.45 -1.52 -3.49 8.00 2.88 -1.25 -5.03 113.62 114.65 1wwg n SER 54 Ca 0.00 0.64 -0.28 0.00 -1.33 0.00 0.00 58.87 57.90 1wwg n SER 54 Cb 0.00 1.72 -0.13 0.00 -0.75 0.00 0.00 64.21 65.05 1wwg n SER 54 CO 0.00 0.00 0.00 -0.22 -1.23 0.00 0.00 175.04 173.59 1wwg s LEU 55 N -6.29 0.69 0.00 2.46 2.96 -1.25 -4.90 118.68 112.34 1wwg s LEU 55 Ca 0.00 -1.72 0.18 0.00 -0.22 0.00 0.00 54.13 52.37 1wwg s LEU 55 Cb 0.00 -0.29 0.14 0.00 0.50 0.00 0.00 46.19 46.54 1wwg s LEU 55 CO 0.00 -0.37 1.07 -0.11 -1.32 0.00 0.00 176.35 175.62