#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 3.05 -0.15 0.00 -1.32 -1.26 -5.13 115.64 110.83 1wwg s THR 2 Ca 0.00 -1.26 -0.13 0.00 -1.21 0.00 0.00 61.69 59.09 1wwg s THR 2 Cb 0.00 -2.36 0.04 0.00 -1.51 0.00 0.00 72.50 68.67 1wwg s THR 2 CO 0.00 0.21 0.40 -0.69 -2.21 0.00 0.00 174.62 172.33 1wwg s VAL 3 N -1.08 -0.01 -0.26 5.08 1.01 -1.26 -5.16 120.40 118.73 1wwg s VAL 3 Ca 0.18 0.02 -0.26 0.00 0.00 0.00 0.00 61.98 61.92 1wwg s VAL 3 Cb -0.11 -0.56 0.12 0.00 0.00 0.00 0.00 36.38 35.83 1wwg s VAL 3 CO 0.09 0.01 1.03 0.54 0.00 0.00 0.00 175.10 176.77 1wwg s VAL 4 N 0.45 0.00 0.00 2.92 0.11 -1.26 -5.17 120.40 117.45 1wwg s VAL 4 Ca -0.02 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.03 1wwg s VAL 4 Cb -0.04 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.81 1wwg s VAL 4 CO -0.02 0.00 0.00 -1.54 -3.33 0.00 0.00 175.10 170.21 1wwg n SER 5 N 1.99 0.00 -3.59 3.54 3.41 -1.26 -5.19 113.62 112.52 1wwg n SER 5 Ca -0.12 0.00 -0.06 0.00 -0.26 0.00 0.00 58.87 58.43 1wwg n SER 5 Cb 0.56 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.48 1wwg n SER 5 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1wwg s GLY 6 N 0.00 -0.21 0.15 5.00 0.00 -1.26 -5.19 107.32 105.81 1wwg s GLY 6 Ca 0.00 1.99 -0.03 0.00 0.00 0.00 0.00 44.72 46.68 1wwg s GLY 6 CO 0.00 0.82 0.12 1.62 0.00 0.00 0.00 173.10 175.66 1wwg s GLN 7 N -1.71 1.02 0.49 2.90 2.00 -1.26 -5.13 119.66 117.97 1wwg s GLN 7 Ca 0.05 -1.41 -0.22 0.00 -2.00 0.00 0.00 55.36 51.79 1wwg s GLN 7 Cb -0.01 0.28 -0.09 0.00 0.80 0.00 0.00 33.01 33.99 1wwg s GLN 7 CO -0.04 -0.31 0.88 0.36 -0.50 0.00 0.00 175.29 175.67 1wwg n LYS 8 N -0.14 1.02 -3.76 1.67 0.00 -1.26 -5.00 118.16 110.68 1wwg n LYS 8 Ca -0.05 0.38 -0.13 0.00 -0.00 0.00 0.00 58.31 58.51 1wwg n LYS 8 Cb 0.64 -1.97 -0.10 0.00 -0.00 0.00 0.00 35.03 33.59 1wwg n LYS 8 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.40 176.26 1wwg s GLN 9 N -2.18 0.42 0.11 -1.58 0.74 -1.26 -5.12 119.66 110.79 1wwg s GLN 9 Ca 0.67 0.34 -0.35 0.00 0.05 0.00 0.00 55.36 56.08 1wwg s GLN 9 Cb -0.51 0.20 -0.17 0.00 1.10 0.00 0.00 33.01 33.63 1wwg s GLN 9 CO 0.54 -0.07 1.08 -0.25 -0.55 0.00 0.00 175.29 176.04 1wwg n ASP 10 N 2.64 0.64 0.08 6.67 9.92 -1.26 -4.83 116.55 130.41 1wwg n ASP 10 Ca -0.14 1.14 0.12 0.00 -0.53 0.00 0.00 54.79 55.38 1wwg n ASP 10 Cb 0.57 -1.09 0.22 0.00 -0.64 0.00 0.00 41.12 40.18 1wwg n ASP 10 CO 0.00 0.00 0.00 0.08 0.13 0.00 0.00 177.20 177.41 1wwg h ARG 11 N 3.14 0.00 0.00 -1.24 0.11 -2.04 -3.47 114.38 110.87 1wwg h ARG 11 Ca -0.44 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.64 1wwg h ARG 11 Cb 1.38 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.46 1wwg h ARG 11 CO 0.68 0.00 0.00 0.94 0.10 0.00 0.00 179.97 181.69 1wwg n GLN 12 N -2.24 0.00 0.00 0.08 7.27 -1.26 -5.15 117.38 116.08 1wwg n GLN 12 Ca 0.04 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.11 1wwg n GLN 12 Cb 0.45 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.10 1wwg n GLN 12 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1wwg n GLY 13 N -0.06 0.80 0.00 1.69 0.00 -1.26 -5.08 105.19 101.29 1wwg n GLY 13 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 5.00 1.09 2.17 -0.02 0.00 -1.26 -5.09 105.19 107.08 1wwg n GLY 14 Ca 0.00 -0.84 -0.01 0.00 0.00 0.00 0.00 46.02 45.17 1wwg n GLY 14 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1wwg n GLU 15 N 0.00 -4.02 0.12 1.61 4.71 -1.26 -5.04 120.64 116.76 1wwg n GLU 15 Ca 0.00 3.05 0.00 0.00 -0.01 0.00 0.00 57.16 60.20 1wwg n GLU 15 Cb 0.00 -4.00 0.00 0.00 -1.01 0.00 0.00 31.44 26.43 1wwg n GLU 15 CO 0.00 0.00 0.00 0.54 0.09 0.00 0.00 177.13 177.76 1wwg n ARG 16 N 1.43 0.00 0.10 3.49 1.74 -1.26 -4.93 116.66 117.24 1wwg n ARG 16 Ca -0.11 0.00 0.11 0.00 -0.77 0.00 0.00 57.85 57.09 1wwg n ARG 16 Cb 0.17 0.00 -0.01 0.00 -1.02 0.00 0.00 32.46 31.60 1wwg n ARG 16 CO 0.00 0.00 0.00 2.89 -1.52 0.00 0.00 177.63 179.00 1wwg n ARG 17 N -2.98 0.60 -3.98 5.56 1.85 -1.26 -4.98 116.66 111.47 1wwg n ARG 17 Ca 0.00 0.11 -0.43 0.00 -1.00 0.00 0.00 57.85 56.53 1wwg n ARG 17 Cb 0.00 -1.81 0.03 0.00 -1.05 0.00 0.00 32.46 29.62 1wwg n ARG 17 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16 1wwg n ARG 18 N -2.65 -0.49 -3.91 2.89 1.74 -1.26 -1.20 116.66 111.78 1wwg n ARG 18 Ca -0.00 0.18 -0.39 0.00 -0.77 0.00 0.00 57.85 56.87 1wwg n ARG 18 Cb 0.55 -2.88 0.03 0.00 -1.02 0.00 0.00 32.46 29.13 1wwg n ARG 18 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 1wwg n SER 19 N -2.28 -4.66 -3.88 0.55 3.41 -1.26 0.22 113.62 105.73 1wwg n SER 19 Ca -0.11 -1.16 -0.30 0.00 -0.26 0.00 0.00 58.87 57.04 1wwg n SER 19 Cb 0.57 -2.25 -0.07 0.00 -0.26 0.00 0.00 64.21 62.21 1wwg n SER 19 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1wwg n GLN 20 N -4.47 -0.84 -1.49 4.33 0.00 -0.34 -4.54 117.38 110.03 1wwg n GLN 20 Ca -0.12 0.09 -0.42 0.00 0.00 0.00 0.00 57.00 56.55 1wwg n GLN 20 Cb 0.58 -3.31 -0.12 0.00 0.00 0.00 0.00 30.24 27.40 1wwg n GLN 20 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.06 176.95 1wwg n LEU 21 N -3.45 0.88 -4.77 2.61 0.00 0.13 -4.83 117.00 107.58 1wwg n LEU 21 Ca -0.04 0.07 -0.38 0.00 0.00 0.00 0.00 56.01 55.66 1wwg n LEU 21 Cb 0.42 -1.09 -0.00 0.00 0.00 0.00 0.00 43.42 42.75 1wwg n LEU 21 CO 0.71 -0.92 0.89 -1.81 0.00 0.00 0.00 177.39 176.27 1wwg s ASP 22 N 9.42 6.10 0.00 1.96 1.11 -1.26 -4.87 116.67 129.13 1wwg s ASP 22 Ca 1.25 2.49 0.09 0.00 0.18 0.00 0.00 52.55 56.56 1wwg s ASP 22 Cb -1.01 -2.62 0.44 0.00 1.07 0.00 0.00 42.92 40.80 1wwg s ASP 22 CO 0.45 -0.98 1.24 0.54 1.18 0.00 0.00 175.17 177.60 1wwg n ARG 23 N -0.34 0.07 -0.75 8.23 5.12 -1.26 -1.12 116.66 126.62 1wwg n ARG 23 Ca 0.06 0.26 0.06 0.00 -1.93 0.00 0.00 57.85 56.30 1wwg n ARG 23 Cb 0.46 -1.50 0.14 0.00 -1.16 0.00 0.00 32.46 30.40 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 -1.38 1.53 -3.95 0.55 8.00 -1.26 -5.05 116.55 114.98 1wwg n ASP 24 Ca 0.03 -3.24 -0.21 0.00 0.71 0.00 0.00 54.79 52.08 1wwg n ASP 24 Cb 0.09 -0.44 -0.03 0.00 -0.02 0.00 0.00 41.12 40.72 1wwg n ASP 24 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1wwg n GLN 25 N -0.71 1.04 -4.73 -1.24 6.02 -0.28 -1.40 117.38 116.08 1wwg n GLN 25 Ca 0.14 -2.56 -0.33 0.00 -0.01 0.00 0.00 57.00 54.24 1wwg n GLN 25 Cb 0.80 0.52 -0.15 0.00 1.02 0.00 0.00 30.24 32.43 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 3.77 5.24 0.08 0.00 0.00 -1.26 -2.47 120.51 125.87 1wwg n ALA 27 Ca -0.19 -2.37 0.00 0.00 0.00 0.00 0.00 53.44 50.88 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 -0.56 -1.10 -0.03 0.00 9.36 -1.26 -4.89 117.16 118.69 1wwg n TYR 28 Ca 0.46 0.19 0.01 0.00 3.32 0.00 0.00 57.90 61.89 1wwg n TYR 28 Cb 1.06 0.29 -0.14 0.00 -0.63 0.00 0.00 39.34 39.92 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 -2.60 0.00 -2.35 0.00 4.76 -1.03 -5.08 118.16 111.86 1wwg n LYS 30 Ca -0.15 0.09 -0.26 0.00 -2.87 0.00 0.00 58.31 55.12 1wwg n LYS 30 Cb 0.84 -1.35 0.04 0.00 -1.84 0.00 0.00 35.03 32.71 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 -1.41 2.73 -0.14 1.97 -6.30 -1.25 -4.76 118.70 109.54 1wwg s GLU 31 Ca 0.00 -0.09 0.01 0.00 -2.50 0.00 0.00 54.97 52.39 1wwg s GLU 31 Cb 0.00 -2.25 0.02 0.00 0.00 0.00 0.00 34.13 31.89 1wwg s GLU 31 CO 0.00 -0.83 -0.17 -1.59 0.02 0.00 0.00 175.26 172.68 1wwg s LYS 32 N -5.05 2.59 0.00 4.30 -2.85 -1.26 0.80 119.74 118.27 1wwg s LYS 32 Ca 0.55 -0.68 0.00 0.00 -1.00 0.00 0.00 55.97 54.84 1wwg s LYS 32 Cb -0.11 -2.23 0.00 0.00 -2.06 0.00 0.00 37.83 33.43 1wwg s LYS 32 CO 0.45 -0.15 0.00 0.41 0.10 0.00 0.00 175.35 176.16 1wwg n GLY 33 N 4.47 4.24 3.64 0.59 0.00 -0.49 -5.01 105.19 112.63 1wwg n GLY 33 Ca -0.19 -0.87 -0.24 0.00 0.00 0.00 0.00 46.02 44.72 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 2.57 0.24 1.61 -3.43 -1.26 -4.94 115.29 110.08 1wwg s HIS 34 Ca 0.00 -0.41 0.05 0.00 -0.80 0.00 0.00 55.06 53.90 1wwg s HIS 34 Cb 0.00 -1.47 -0.03 0.00 -1.43 0.00 0.00 32.58 29.65 1wwg s HIS 34 CO 0.00 0.48 0.33 -1.58 -2.00 0.00 0.00 174.74 171.96 1wwg s TRP 35 N -2.49 3.37 0.34 0.38 0.52 -1.26 -3.01 118.94 116.79 1wwg s TRP 35 Ca 0.35 -0.04 0.03 0.00 0.02 0.00 0.00 56.10 56.45 1wwg s TRP 35 Cb -0.01 -1.54 0.64 0.00 -1.15 0.00 0.00 33.47 31.42 1wwg s TRP 35 CO 0.20 0.45 1.98 0.00 0.02 0.00 0.00 176.95 179.59 1wwg h ALA 36 N 1.24 1.59 0.00 0.98 0.00 -1.90 0.58 119.26 121.74 1wwg h ALA 36 Ca -0.51 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.36 1wwg h ALA 36 Cb 1.23 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.78 1wwg h ALA 36 CO 0.61 0.34 0.00 1.63 0.00 0.00 0.00 179.25 181.83 1wwg n LYS 37 N -4.46 0.00 -0.96 0.00 4.01 -1.26 -1.41 118.16 114.09 1wwg n LYS 37 Ca 0.09 0.35 0.04 0.00 -0.51 0.00 0.00 58.31 58.28 1wwg n LYS 37 Cb 0.13 -1.51 0.07 0.00 -0.51 0.00 0.00 35.03 33.21 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 -1.52 1.11 -4.70 4.39 2.03 0.17 -5.00 116.55 113.03 1wwg n ASP 38 Ca 0.02 -2.56 -0.42 0.00 0.52 0.00 0.00 54.79 52.35 1wwg n ASP 38 Cb 0.11 -0.35 -0.03 0.00 -0.72 0.00 0.00 41.12 40.13 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 5.16 0.75 0.05 0.00 -0.04 -1.26 -2.07 135.00 137.59 1wwg n PRO 40 Ca 0.15 0.00 0.11 0.00 -0.04 0.00 0.00 63.50 63.72 1wwg n PRO 40 Cb 0.40 -1.47 -0.08 0.00 -0.04 0.00 0.00 33.50 32.31 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 0.63 -1.52 0.54 4.81 -1.26 -4.88 118.16 115.51 1wwg n LYS 41 Ca 0.17 -0.02 -0.46 0.00 -0.87 0.00 0.00 58.31 57.13 1wwg n LYS 41 Cb 0.08 -1.68 -0.05 0.00 0.02 0.00 0.00 35.03 33.39 1wwg n LYS 41 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 1wwg n LYS 42 N -2.49 1.39 -2.44 1.64 5.02 -0.88 -4.88 118.16 115.51 1wwg n LYS 42 Ca -0.02 0.35 -0.42 0.00 -2.02 0.00 0.00 58.31 56.19 1wwg n LYS 42 Cb 0.57 -2.83 -0.03 0.00 -0.02 0.00 0.00 35.03 32.72 1wwg n LYS 42 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1wwg s PRO 43 N 6.56 4.37 -0.08 1.97 0.04 -1.26 -4.36 135.00 142.23 1wwg s PRO 43 Ca 1.06 1.70 -0.02 0.00 0.04 0.00 0.00 61.00 63.78 1wwg s PRO 43 Cb -0.60 -3.52 0.01 0.00 0.04 0.00 0.00 34.50 30.43 1wwg s PRO 43 CO 0.41 -0.41 0.04 -2.13 0.04 0.00 0.00 177.00 174.96 1wwg n ARG 44 N 4.94 -1.88 -3.84 4.56 0.00 -1.26 -5.00 116.66 114.18 1wwg n ARG 44 Ca 0.11 1.71 0.04 0.00 -0.00 0.00 0.00 57.85 59.70 1wwg n ARG 44 Cb 0.46 -2.28 0.01 0.00 0.00 0.00 0.00 32.46 30.64 1wwg n ARG 44 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.63 177.83 1wwg s GLY 45 N -0.67 -0.30 0.34 5.14 0.00 -1.26 -4.44 107.32 106.13 1wwg s GLY 45 Ca -0.05 0.41 -0.27 0.00 0.00 0.00 0.00 44.72 44.81 1wwg s GLY 45 CO 0.26 3.85 1.07 2.56 0.00 0.00 0.00 173.10 180.83 1wwg s PRO 46 N -2.07 4.41 0.99 2.90 0.04 -1.26 -5.12 135.00 134.89 1wwg s PRO 46 Ca 0.24 1.64 -0.14 0.00 0.04 0.00 0.00 61.00 62.79 1wwg s PRO 46 Cb 0.03 -2.87 0.05 0.00 0.04 0.00 0.00 34.50 31.75 1wwg s PRO 46 CO -0.03 0.05 0.30 2.89 0.04 0.00 0.00 177.00 180.24 1wwg n ARG 47 N 0.57 -0.60 -1.96 4.56 0.00 -1.26 -4.80 116.66 113.15 1wwg n ARG 47 Ca 0.02 -0.14 -0.43 0.00 -0.00 0.00 0.00 57.85 57.30 1wwg n ARG 47 Cb 0.47 -1.81 -0.03 0.00 -0.00 0.00 0.00 32.46 31.09 1wwg n ARG 47 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.63 177.83 1wwg s GLY 48 N -1.97 0.96 0.09 2.89 0.00 -1.26 -4.95 107.32 103.09 1wwg s GLY 48 Ca 0.56 0.49 -0.30 0.00 0.00 0.00 0.00 44.72 45.47 1wwg s GLY 48 CO 0.67 3.26 1.15 2.56 0.00 0.00 0.00 173.10 180.74 1wwg s PRO 49 N 5.30 4.49 -0.39 2.90 0.04 -1.26 -4.97 135.00 141.10 1wwg s PRO 49 Ca 0.80 1.73 -0.02 0.00 0.04 0.00 0.00 61.00 63.55 1wwg s PRO 49 Cb -0.26 -3.33 0.20 0.00 0.04 0.00 0.00 34.50 31.14 1wwg s PRO 49 CO 0.33 -0.14 0.93 0.50 0.04 0.00 0.00 177.00 178.65 1wwg s ARG 50 N 0.60 0.50 0.04 4.56 3.52 -1.26 -5.03 118.95 121.88 1wwg s ARG 50 Ca 0.55 -0.38 -0.17 0.00 -0.13 0.00 0.00 55.73 55.60 1wwg s ARG 50 Cb -0.29 0.01 -0.21 0.00 -1.56 0.00 0.00 34.95 32.90 1wwg s ARG 50 CO 0.31 -0.66 1.18 -1.00 -0.81 0.00 0.00 175.30 174.32 1wwg h PRO 51 N 5.14 0.55 -6.08 5.12 0.13 -2.02 -3.46 132.00 131.38 1wwg h PRO 51 Ca 0.01 -0.53 -0.52 0.00 -0.87 0.00 0.00 66.00 64.09 1wwg h PRO 51 Cb 1.17 0.14 -0.05 0.00 0.13 0.00 0.00 31.00 32.39 1wwg h PRO 51 CO -0.04 1.16 -0.41 -0.65 -0.23 0.00 0.00 178.00 177.83 1wwg s GLN 52 N -3.42 2.43 -0.72 0.86 -0.21 -1.26 -5.06 119.66 112.28 1wwg s GLN 52 Ca -0.12 -1.65 0.03 0.00 0.02 0.00 0.00 55.36 53.64 1wwg s GLN 52 Cb 0.05 -2.25 0.32 0.00 1.00 0.00 0.00 33.01 32.14 1wwg s GLN 52 CO 0.85 -0.19 1.17 -2.37 -2.12 0.00 0.00 175.29 172.63 1wwg n THR 53 N -1.47 3.86 -4.80 -0.19 5.66 -1.26 -5.00 114.28 111.09 1wwg n THR 53 Ca 0.02 -5.67 -0.27 0.00 -3.05 0.00 0.00 64.05 55.08 1wwg n THR 53 Cb 0.63 -1.53 -0.17 0.00 -1.55 0.00 0.00 70.33 67.71 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 -2.78 2.22 -0.03 1.09 0.01 -1.26 -5.10 113.70 107.84 1wwg s SER 54 Ca 0.45 -0.39 -0.30 0.00 1.31 0.00 0.00 55.95 57.02 1wwg s SER 54 Cb 0.24 -1.02 -0.05 0.00 0.21 0.00 0.00 66.02 65.39 1wwg s SER 54 CO -0.11 0.08 1.46 -0.76 0.41 0.00 0.00 173.24 174.31 1wwg s LEU 55 N 0.56 4.30 0.00 2.44 1.02 -1.26 -5.16 118.68 120.58 1wwg s LEU 55 Ca -0.16 2.11 0.00 0.00 0.02 0.00 0.00 54.13 56.10 1wwg s LEU 55 Cb -0.17 -3.55 0.00 0.00 0.02 0.00 0.00 46.19 42.49 1wwg s LEU 55 CO 0.05 -0.79 0.08 0.00 0.02 0.00 0.00 176.35 175.72