#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wwd s THR 2 N 0.00 0.76 0.07 0.00 -1.32 -1.26 -5.14 115.64 108.76 1wwd s THR 2 Ca 0.00 -0.19 0.05 0.00 -1.21 0.00 0.00 61.69 60.34 1wwd s THR 2 Cb 0.00 -0.79 -0.03 0.00 -1.51 0.00 0.00 72.50 70.17 1wwd s THR 2 CO 0.00 0.30 -0.14 -0.69 -2.21 0.00 0.00 174.62 171.88 1wwd s VAL 3 N 1.32 1.08 -0.11 5.08 1.01 -1.26 -5.14 120.40 122.38 1wwd s VAL 3 Ca -0.04 -1.26 -0.03 0.00 0.00 0.00 0.00 61.98 60.65 1wwd s VAL 3 Cb -0.14 -1.04 -0.03 0.00 0.00 0.00 0.00 36.38 35.17 1wwd s VAL 3 CO -0.03 -0.21 0.02 -0.69 0.00 0.00 0.00 175.10 174.20 1wwd s VAL 4 N -1.23 4.49 -0.10 2.92 1.01 -1.26 -5.10 120.40 121.13 1wwd s VAL 4 Ca -0.02 -0.17 -0.23 0.00 0.00 0.00 0.00 61.98 61.56 1wwd s VAL 4 Cb -0.10 -2.92 0.05 0.00 0.00 0.00 0.00 36.38 33.41 1wwd s VAL 4 CO 0.02 0.58 0.55 -0.55 0.00 0.00 0.00 175.10 175.70 1wwd s SER 5 N -0.60 -0.52 0.00 3.32 0.15 -1.26 -5.11 113.70 109.68 1wwd s SER 5 Ca 0.10 0.71 0.00 0.00 0.70 0.00 0.00 55.95 57.46 1wwd s SER 5 Cb -0.12 0.70 0.00 0.00 -1.71 0.00 0.00 66.02 64.90 1wwd s SER 5 CO 0.02 -0.43 0.00 0.61 1.20 0.00 0.00 173.24 174.65 1wwd n GLY 6 N 1.65 2.21 2.14 9.45 0.00 -1.26 -5.12 105.19 114.26 1wwd n GLY 6 Ca -0.18 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 45.42 1wwd n GLY 6 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1wwd n GLN 7 N 0.00 0.00 -2.39 1.61 7.27 -1.26 -5.12 117.38 117.49 1wwd n GLN 7 Ca 0.00 0.00 -0.35 0.00 0.07 0.00 0.00 57.00 56.72 1wwd n GLN 7 Cb 0.00 0.00 -0.02 0.00 2.41 0.00 0.00 30.24 32.63 1wwd n GLN 7 CO 0.00 0.00 0.00 0.21 0.07 0.00 0.00 177.06 177.34 1wwd s LYS 8 N -2.00 3.60 0.13 3.69 2.47 -1.26 -5.06 119.74 121.32 1wwd s LYS 8 Ca 0.00 1.52 0.04 0.00 -1.56 0.00 0.00 55.97 55.97 1wwd s LYS 8 Cb 0.00 -2.09 -0.04 0.00 -1.46 0.00 0.00 37.83 34.23 1wwd s LYS 8 CO 0.00 -0.63 -0.10 -1.14 0.16 0.00 0.00 175.35 173.64 1wwd s GLN 9 N -3.18 1.00 -0.09 4.03 2.00 -1.26 -5.16 119.66 116.99 1wwd s GLN 9 Ca 0.69 -1.37 -0.07 0.00 -2.00 0.00 0.00 55.36 52.61 1wwd s GLN 9 Cb -0.21 -0.58 0.03 0.00 0.80 0.00 0.00 33.01 33.05 1wwd s GLN 9 CO 0.25 0.07 0.23 0.34 -0.50 0.00 0.00 175.29 175.68 1wwd s ASP 10 N -2.99 -0.25 -0.22 6.67 3.68 -1.26 -5.13 116.67 117.18 1wwd s ASP 10 Ca 0.14 0.48 -0.04 0.00 2.13 0.00 0.00 52.55 55.26 1wwd s ASP 10 Cb 0.01 0.44 0.08 0.00 -1.45 0.00 0.00 42.92 42.00 1wwd s ASP 10 CO 0.00 -0.12 0.14 -0.13 0.13 0.00 0.00 175.17 175.19 1wwd s ARG 11 N 0.61 0.13 -0.11 4.34 1.81 -1.26 -5.13 118.95 119.34 1wwd s ARG 11 Ca -0.04 -0.16 -0.04 0.00 -1.72 0.00 0.00 55.73 53.77 1wwd s ARG 11 Cb -0.05 -1.48 -0.04 0.00 -0.45 0.00 0.00 34.95 32.94 1wwd s ARG 11 CO -0.03 -0.78 0.05 -0.65 -0.68 0.00 0.00 175.30 173.20 1wwd s GLN 12 N 2.17 3.27 -0.29 3.54 -0.21 -1.26 -5.08 119.66 121.80 1wwd s GLN 12 Ca 0.05 -0.32 -0.18 0.00 0.02 0.00 0.00 55.36 54.94 1wwd s GLN 12 Cb -0.16 -2.97 0.17 0.00 1.00 0.00 0.00 33.01 31.05 1wwd s GLN 12 CO -0.18 0.66 1.14 0.20 -2.12 0.00 0.00 175.29 174.98 1wwd s GLY 13 N -0.73 0.27 0.50 3.09 0.00 -1.26 -5.18 107.32 104.00 1wwd s GLY 13 Ca 0.12 3.41 0.04 0.00 0.00 0.00 0.00 44.72 48.30 1wwd s GLY 13 CO 0.03 2.53 0.20 -0.32 0.00 0.00 0.00 173.10 175.53 1wwd s GLY 14 N 1.00 2.61 -0.92 0.20 0.00 -1.26 -5.07 107.32 103.87 1wwd s GLY 14 Ca -0.06 -1.15 -0.01 0.00 0.00 0.00 0.00 44.72 43.49 1wwd s GLY 14 CO -0.12 -2.03 1.03 1.18 0.00 0.00 0.00 173.10 173.15 1wwd n GLU 15 N -1.44 3.28 -3.58 2.90 1.02 -1.26 -4.98 120.64 116.58 1wwd n GLU 15 Ca -0.08 -4.55 -0.07 0.00 -0.02 0.00 0.00 57.16 52.44 1wwd n GLU 15 Cb 0.65 -2.42 -0.04 0.00 -0.02 0.00 0.00 31.44 29.62 1wwd n GLU 15 CO 0.00 0.00 0.00 0.50 1.18 0.00 0.00 177.13 178.81 1wwd s ARG 16 N -2.06 0.47 0.00 3.49 6.06 -1.26 -5.16 118.95 120.49 1wwd s ARG 16 Ca 0.32 -0.02 0.00 0.00 -2.50 0.00 0.00 55.73 53.53 1wwd s ARG 16 Cb 0.01 0.22 0.00 0.00 0.06 0.00 0.00 34.95 35.24 1wwd s ARG 16 CO -0.02 -0.17 0.00 0.54 -2.50 0.00 0.00 175.30 173.14 1wwd n ARG 17 N 0.32 0.00 -3.72 5.12 1.74 -1.26 -5.09 116.66 113.76 1wwd n ARG 17 Ca -0.06 0.00 -0.29 0.00 -0.77 0.00 0.00 57.85 56.74 1wwd n ARG 17 Cb 0.59 0.00 -0.10 0.00 -1.02 0.00 0.00 32.46 31.93 1wwd n ARG 17 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1wwd n ARG 18 N 0.00 2.16 -4.43 5.56 1.74 -1.26 -4.83 116.66 115.60 1wwd n ARG 18 Ca 0.00 -4.55 -0.40 0.00 -0.77 0.00 0.00 57.85 52.13 1wwd n ARG 18 Cb 0.00 -2.30 -0.07 0.00 -1.02 0.00 0.00 32.46 29.08 1wwd n ARG 18 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1wwd n SER 19 N 1.64 -1.92 -4.12 0.55 2.88 -1.26 0.21 113.62 111.61 1wwd n SER 19 Ca 0.23 -1.18 -0.35 0.00 -1.33 0.00 0.00 58.87 56.24 1wwd n SER 19 Cb 0.37 -1.94 -0.04 0.00 -0.75 0.00 0.00 64.21 61.86 1wwd n SER 19 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1wwd n GLN 20 N -4.20 -1.23 -1.83 -1.46 6.02 -1.26 -4.73 117.38 108.69 1wwd n GLN 20 Ca 0.06 0.18 -0.38 0.00 -0.01 0.00 0.00 57.00 56.85 1wwd n GLN 20 Cb 0.49 -3.51 -0.03 0.00 1.02 0.00 0.00 30.24 28.21 1wwd n GLN 20 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 1wwd s LEU 21 N -7.25 3.35 0.26 1.08 0.20 0.13 -4.91 118.68 111.55 1wwd s LEU 21 Ca 0.19 0.70 -0.31 0.00 0.69 0.00 0.00 54.13 55.40 1wwd s LEU 21 Cb -0.10 -2.55 -0.12 0.00 -0.43 0.00 0.00 46.19 43.00 1wwd s LEU 21 CO 0.96 -2.58 1.63 -0.67 -0.29 0.00 0.00 176.35 175.39 1wwd n ASP 22 N 14.08 3.86 0.06 3.68 4.64 -1.26 -4.83 116.55 136.78 1wwd n ASP 22 Ca 0.28 1.12 0.06 0.00 -1.38 0.00 0.00 54.79 54.87 1wwd n ASP 22 Cb 0.53 -1.58 0.29 0.00 -1.04 0.00 0.00 41.12 39.32 1wwd n ASP 22 CO 0.00 0.00 0.00 0.54 -0.82 0.00 0.00 177.20 176.92 1wwd n ARG 23 N 2.72 0.06 -0.76 -0.67 5.12 -1.26 -0.75 116.66 121.13 1wwd n ARG 23 Ca 0.11 0.48 0.03 0.00 -1.93 0.00 0.00 57.85 56.54 1wwd n ARG 23 Cb 0.36 -1.68 0.19 0.00 -1.16 0.00 0.00 32.46 30.17 1wwd n ARG 23 CO 0.00 0.00 0.00 -3.47 -1.93 0.00 0.00 177.63 172.23 1wwd n ASP 24 N -1.81 2.04 -4.82 0.55 -0.08 -1.26 -5.03 116.55 106.15 1wwd n ASP 24 Ca 0.01 -3.87 -0.30 0.00 -1.51 0.00 0.00 54.79 49.11 1wwd n ASP 24 Cb 0.07 -0.51 -0.05 0.00 2.34 0.00 0.00 41.12 42.98 1wwd n ASP 24 CO 0.00 0.00 0.00 -1.10 0.12 0.00 0.00 177.20 176.22 1wwd s GLN 25 N -3.25 2.22 -0.12 -0.67 -0.21 0.07 -1.20 119.66 116.51 1wwd s GLN 25 Ca 0.39 -2.24 -0.02 0.00 0.02 0.00 0.00 55.36 53.51 1wwd s GLN 25 Cb 0.37 -1.77 -0.03 0.00 1.00 0.00 0.00 33.01 32.59 1wwd s GLN 25 CO -0.06 -0.46 -0.05 0.00 -2.12 0.00 0.00 175.29 172.60 1wwd n ALA 27 N 3.02 5.70 0.08 0.00 0.00 -1.26 -2.98 120.51 125.06 1wwd n ALA 27 Ca -0.18 -3.22 0.00 0.00 0.00 0.00 0.00 53.44 50.04 1wwd n ALA 27 Cb 0.53 -1.41 0.00 0.00 0.00 0.00 0.00 19.45 18.57 1wwd n ALA 27 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 1wwd n TYR 28 N -1.03 -0.99 0.04 0.00 9.36 -1.26 -4.87 117.16 118.41 1wwd n TYR 28 Ca 0.57 0.17 0.10 0.00 3.32 0.00 0.00 57.90 62.06 1wwd n TYR 28 Cb 1.15 0.28 -0.15 0.00 -0.63 0.00 0.00 39.34 39.99 1wwd n TYR 28 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1wwd n LYS 30 N -2.14 0.00 -1.37 0.00 5.02 -1.16 -5.07 118.16 113.44 1wwd n LYS 30 Ca -0.03 0.16 -0.23 0.00 -2.02 0.00 0.00 58.31 56.19 1wwd n LYS 30 Cb 0.50 -2.08 0.16 0.00 -0.02 0.00 0.00 35.03 33.59 1wwd n LYS 30 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1wwd n GLU 31 N -1.92 -1.24 -3.67 1.97 -0.58 -1.25 -4.76 120.64 109.20 1wwd n GLU 31 Ca 0.00 -1.55 -0.20 0.00 -0.42 0.00 0.00 57.16 54.98 1wwd n GLU 31 Cb 0.11 -1.09 -0.18 0.00 -0.57 0.00 0.00 31.44 29.72 1wwd n GLU 31 CO 0.00 0.00 0.00 0.21 -0.48 0.00 0.00 177.13 176.86 1wwd s LYS 32 N -5.20 -0.07 0.00 3.49 2.36 -1.26 -0.94 119.74 118.12 1wwd s LYS 32 Ca 0.58 0.36 0.00 0.00 -2.55 0.00 0.00 55.97 54.36 1wwd s LYS 32 Cb -0.02 -0.57 0.00 0.00 -1.05 0.00 0.00 37.83 36.19 1wwd s LYS 32 CO 0.41 -0.34 0.00 0.41 1.55 0.00 0.00 175.35 177.38 1wwd n GLY 33 N 5.30 3.88 3.72 5.54 0.00 -0.34 -4.99 105.19 118.30 1wwd n GLY 33 Ca -0.03 -0.91 -0.26 0.00 0.00 0.00 0.00 46.02 44.82 1wwd n GLY 33 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1wwd s HIS 34 N 0.00 2.94 0.46 1.61 -3.43 -1.26 -4.90 115.29 110.71 1wwd s HIS 34 Ca 0.00 -0.11 -0.01 0.00 -0.80 0.00 0.00 55.06 54.14 1wwd s HIS 34 Cb 0.00 -1.40 -0.01 0.00 -1.43 0.00 0.00 32.58 29.74 1wwd s HIS 34 CO 0.00 0.53 0.70 -1.58 -2.00 0.00 0.00 174.74 172.38 1wwd s TRP 35 N -1.84 3.29 0.22 0.38 0.52 -1.26 -2.99 118.94 117.26 1wwd s TRP 35 Ca 0.29 0.34 -0.08 0.00 0.02 0.00 0.00 56.10 56.68 1wwd s TRP 35 Cb -0.09 -2.32 0.27 0.00 -1.15 0.00 0.00 33.47 30.19 1wwd s TRP 35 CO 0.21 -0.36 1.83 0.00 0.02 0.00 0.00 176.95 178.65 1wwd h ALA 36 N 0.35 1.02 0.00 0.98 0.00 -1.91 0.97 119.26 120.67 1wwd h ALA 36 Ca -0.46 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.45 1wwd h ALA 36 Cb 1.25 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.86 1wwd h ALA 36 CO 0.59 0.16 0.00 1.63 0.00 0.00 0.00 179.25 181.62 1wwd n LYS 37 N -4.71 0.12 -0.07 0.00 5.02 -1.26 -0.69 118.16 116.57 1wwd n LYS 37 Ca 0.10 0.45 0.03 0.00 -2.02 0.00 0.00 58.31 56.86 1wwd n LYS 37 Cb 0.17 -1.78 0.06 0.00 -0.02 0.00 0.00 35.03 33.46 1wwd n LYS 37 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1wwd n ASP 38 N -2.01 2.24 -4.72 4.39 2.03 0.18 -4.54 116.55 114.12 1wwd n ASP 38 Ca 0.01 -1.85 -0.42 0.00 0.52 0.00 0.00 54.79 53.05 1wwd n ASP 38 Cb 0.14 -0.09 -0.03 0.00 -0.72 0.00 0.00 41.12 40.43 1wwd n ASP 38 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1wwd n PRO 40 N 4.14 0.75 -0.01 0.00 -0.04 -1.26 -1.98 135.00 136.60 1wwd n PRO 40 Ca 0.16 0.00 0.10 0.00 -0.04 0.00 0.00 63.50 63.72 1wwd n PRO 40 Cb 0.36 -1.48 -0.15 0.00 -0.04 0.00 0.00 33.50 32.19 1wwd n PRO 40 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 1wwd n LYS 41 N -0.98 0.58 -4.33 0.54 4.81 -1.26 -4.95 118.16 112.57 1wwd n LYS 41 Ca 0.17 -0.14 -0.27 0.00 -0.87 0.00 0.00 58.31 57.20 1wwd n LYS 41 Cb 0.08 -1.47 -0.10 0.00 0.02 0.00 0.00 35.03 33.55 1wwd n LYS 41 CO 0.00 0.00 0.00 -1.59 1.17 0.00 0.00 177.40 176.98 1wwd s LYS 42 N -3.28 1.85 0.95 1.64 0.00 -0.84 -5.13 119.74 114.92 1wwd s LYS 42 Ca -0.04 -1.32 -0.13 0.00 0.00 0.00 0.00 55.97 54.48 1wwd s LYS 42 Cb 0.14 -2.06 0.16 0.00 0.00 0.00 0.00 37.83 36.06 1wwd s LYS 42 CO 0.84 0.44 1.15 -1.25 0.00 0.00 0.00 175.35 176.53 1wwd s PRO 43 N -2.63 0.84 -0.72 1.78 0.04 -1.26 -4.64 135.00 128.41 1wwd s PRO 43 Ca 0.22 0.18 -0.26 0.00 0.04 0.00 0.00 61.00 61.18 1wwd s PRO 43 Cb -0.09 -1.81 -0.01 0.00 0.04 0.00 0.00 34.50 32.63 1wwd s PRO 43 CO 0.13 -2.38 1.71 0.50 0.04 0.00 0.00 177.00 177.00 1wwd s ARG 44 N -5.36 2.81 0.51 4.56 6.06 -1.26 -4.92 118.95 121.35 1wwd s ARG 44 Ca 0.66 0.14 0.06 0.00 -2.50 0.00 0.00 55.73 54.09 1wwd s ARG 44 Cb -0.13 -4.52 0.02 0.00 0.06 0.00 0.00 34.95 30.38 1wwd s ARG 44 CO 0.54 -2.66 0.39 0.20 -2.50 0.00 0.00 175.30 171.26 1wwd s GLY 45 N 6.85 2.30 0.86 8.12 0.00 -1.26 -4.58 107.32 119.60 1wwd s GLY 45 Ca 0.59 -1.50 -0.12 0.00 0.00 0.00 0.00 44.72 43.68 1wwd s GLY 45 CO 0.14 -1.88 1.12 2.56 0.00 0.00 0.00 173.10 175.04 1wwd s PRO 46 N -4.23 1.59 -0.08 2.90 0.04 -1.26 -4.99 135.00 128.97 1wwd s PRO 46 Ca 0.39 0.45 0.00 0.00 0.04 0.00 0.00 61.00 61.88 1wwd s PRO 46 Cb -0.02 -1.88 -0.03 0.00 0.04 0.00 0.00 34.50 32.61 1wwd s PRO 46 CO 0.23 -1.92 -0.07 -0.98 0.04 0.00 0.00 177.00 174.30 1wwd s ARG 47 N -5.23 2.88 0.00 4.56 3.03 -1.26 -4.84 118.95 118.10 1wwd s ARG 47 Ca 0.62 -0.55 0.00 0.00 2.03 0.00 0.00 55.73 57.84 1wwd s ARG 47 Cb -0.15 -2.63 0.00 0.00 -1.03 0.00 0.00 34.95 31.14 1wwd s ARG 47 CO 0.54 0.60 0.00 0.41 -1.13 0.00 0.00 175.30 175.72 1wwd n GLY 48 N 2.42 0.00 1.50 3.88 0.00 -1.26 -4.95 105.19 106.79 1wwd n GLY 48 Ca -0.18 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.72 1wwd n GLY 48 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1wwd n PRO 49 N 1.38 -1.19 -3.44 1.61 -0.04 -1.26 -5.01 135.00 127.05 1wwd n PRO 49 Ca 0.00 -0.78 -0.43 0.00 -0.04 0.00 0.00 63.50 62.25 1wwd n PRO 49 Cb 0.40 -0.61 -0.09 0.00 -0.04 0.00 0.00 33.50 33.15 1wwd n PRO 49 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1wwd s ARG 50 N -4.10 2.98 -0.06 0.54 3.00 -1.26 -4.96 118.95 115.09 1wwd s ARG 50 Ca 0.30 -1.09 -0.11 0.00 0.00 0.00 0.00 55.73 54.83 1wwd s ARG 50 Cb -0.02 -4.02 -0.07 0.00 0.00 0.00 0.00 34.95 30.85 1wwd s ARG 50 CO 0.22 -0.82 0.45 -1.00 0.00 0.00 0.00 175.30 174.14 1wwd h PRO 51 N 8.67 -0.31 -4.58 3.54 0.13 -2.02 -3.50 132.00 133.93 1wwd h PRO 51 Ca -0.27 0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.88 1wwd h PRO 51 Cb 1.12 0.07 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1wwd h PRO 51 CO 0.77 -0.14 -0.67 1.04 -0.23 0.00 0.00 178.00 178.77 1wwd n GLN 52 N -4.98 -2.44 0.31 0.86 6.02 -1.26 -4.83 117.38 111.05 1wwd n GLN 52 Ca -0.05 2.11 0.19 0.00 -0.01 0.00 0.00 57.00 59.25 1wwd n GLN 52 Cb 0.16 -4.29 1.06 0.00 1.02 0.00 0.00 30.24 28.19 1wwd n GLN 52 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1wwd h THR 53 N 2.11 0.20 -3.17 5.09 1.03 -2.05 -3.42 112.91 112.69 1wwd h THR 53 Ca 0.00 0.00 -0.09 0.00 -0.01 0.00 0.00 66.41 66.31 1wwd h THR 53 Cb 0.13 0.95 -0.17 0.00 -1.07 0.00 0.00 68.15 67.99 1wwd h THR 53 CO 0.09 0.00 -0.20 -0.44 -0.01 0.00 0.00 175.52 174.96 1wwd s SER 54 N -5.43 -0.19 0.40 0.00 0.01 -1.26 -5.16 113.70 102.07 1wwd s SER 54 Ca -0.05 -0.09 -0.13 0.00 1.31 0.00 0.00 55.95 56.99 1wwd s SER 54 Cb 0.13 0.38 -0.08 0.00 0.21 0.00 0.00 66.02 66.67 1wwd s SER 54 CO 0.45 -0.62 0.80 -0.22 0.41 0.00 0.00 173.24 174.06 1wwd s LEU 55 N -1.97 3.88 0.00 2.44 2.96 -1.26 -5.16 118.68 119.56 1wwd s LEU 55 Ca -0.06 1.27 0.26 0.00 -0.22 0.00 0.00 54.13 55.38 1wwd s LEU 55 Cb -0.01 -4.13 1.54 0.00 0.50 0.00 0.00 46.19 44.08 1wwd s LEU 55 CO -0.02 -0.36 1.89 0.00 -1.32 0.00 0.00 176.35 176.54