#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wwd n THR 2 N 0.00 -3.82 -3.64 0.00 -1.04 -1.26 -5.05 114.28 99.47 1wwd n THR 2 Ca 0.00 1.81 -0.14 0.00 -2.04 0.00 0.00 64.05 63.68 1wwd n THR 2 Cb 0.00 -2.74 -0.07 0.00 -1.82 0.00 0.00 70.33 65.69 1wwd n THR 2 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 1wwd s VAL 3 N -4.63 0.00 0.33 12.58 0.11 -1.26 -5.18 120.40 122.36 1wwd s VAL 3 Ca 0.00 -0.01 0.06 0.00 -2.93 0.00 0.00 61.98 59.10 1wwd s VAL 3 Cb 0.00 -0.92 -0.07 0.00 -1.53 0.00 0.00 36.38 33.87 1wwd s VAL 3 CO 0.00 -0.01 -0.01 0.68 -3.33 0.00 0.00 175.10 172.43 1wwd s VAL 4 N 0.10 1.67 0.08 2.04 -7.23 -1.26 -5.16 120.40 110.63 1wwd s VAL 4 Ca -0.02 -2.07 -0.07 0.00 -1.81 0.00 0.00 61.98 58.01 1wwd s VAL 4 Cb -0.04 -2.72 -0.01 0.00 0.56 0.00 0.00 36.38 34.18 1wwd s VAL 4 CO 0.02 -0.12 0.15 -0.94 -0.31 0.00 0.00 175.10 173.90 1wwd s SER 5 N -3.54 0.17 0.74 4.85 1.04 -1.26 -5.17 113.70 110.52 1wwd s SER 5 Ca 0.33 -0.68 -0.04 0.00 0.48 0.00 0.00 55.95 56.04 1wwd s SER 5 Cb 0.07 0.31 0.12 0.00 0.10 0.00 0.00 66.02 66.61 1wwd s SER 5 CO 0.15 -0.69 1.02 -0.83 0.98 0.00 0.00 173.24 173.87 1wwd s GLY 6 N -2.80 1.76 -0.20 7.32 0.00 -1.26 -5.12 107.32 107.02 1wwd s GLY 6 Ca 0.04 -1.47 -0.27 0.00 0.00 0.00 0.00 44.72 43.03 1wwd s GLY 6 CO -0.10 -0.93 0.71 1.20 0.00 0.00 0.00 173.10 173.98 1wwd s GLN 7 N -5.23 0.90 0.25 2.90 -1.52 -1.26 -5.18 119.66 110.53 1wwd s GLN 7 Ca 0.65 0.75 -0.04 0.00 -1.95 0.00 0.00 55.36 54.78 1wwd s GLN 7 Cb -0.07 0.44 -0.02 0.00 -0.22 0.00 0.00 33.01 33.14 1wwd s GLN 7 CO 0.45 -0.17 0.32 0.15 -0.25 0.00 0.00 175.29 175.78 1wwd s LYS 8 N -0.13 1.49 0.00 2.91 1.02 -1.26 -5.17 119.74 118.60 1wwd s LYS 8 Ca -0.03 -1.57 0.01 0.00 0.02 0.00 0.00 55.97 54.39 1wwd s LYS 8 Cb -0.03 0.37 -0.00 0.00 -0.52 0.00 0.00 37.83 37.64 1wwd s LYS 8 CO 0.04 -0.57 -0.03 -0.65 -0.92 0.00 0.00 175.35 173.22 1wwd s GLN 9 N -3.84 0.22 0.11 1.68 1.11 -1.26 -5.16 119.66 112.51 1wwd s GLN 9 Ca 0.32 -0.17 0.05 0.00 0.01 0.00 0.00 55.36 55.58 1wwd s GLN 9 Cb 0.03 -0.17 -0.04 0.00 -1.01 0.00 0.00 33.01 31.83 1wwd s GLN 9 CO 0.14 0.04 -0.13 0.16 0.01 0.00 0.00 175.29 175.51 1wwd s ASP 10 N -0.26 1.79 0.22 5.90 -4.77 -1.26 -5.15 116.67 113.14 1wwd s ASP 10 Ca -0.01 -0.78 -0.08 0.00 -3.30 0.00 0.00 52.55 48.37 1wwd s ASP 10 Cb -0.02 -0.04 -0.07 0.00 -1.09 0.00 0.00 42.92 41.70 1wwd s ASP 10 CO -0.00 -0.17 0.52 -0.60 0.70 0.00 0.00 175.17 175.62 1wwd s ARG 11 N -2.56 3.76 -0.06 2.11 6.06 -1.26 -5.03 118.95 121.97 1wwd s ARG 11 Ca 0.06 0.19 -0.08 0.00 -2.50 0.00 0.00 55.73 53.40 1wwd s ARG 11 Cb -0.05 -2.68 -0.04 0.00 0.06 0.00 0.00 34.95 32.23 1wwd s ARG 11 CO 0.02 0.34 0.35 0.37 -2.50 0.00 0.00 175.30 173.88 1wwd h GLN 12 N 2.56 -0.28 0.00 5.12 4.15 -2.09 -3.49 115.11 121.09 1wwd h GLN 12 Ca -0.47 0.02 0.00 0.00 0.77 0.00 0.00 58.65 58.97 1wwd h GLN 12 Cb 1.17 0.06 0.00 0.00 0.21 0.00 0.00 27.48 28.92 1wwd h GLN 12 CO 0.70 -0.19 0.00 0.41 -1.93 0.00 0.00 178.83 177.82 1wwd n GLY 13 N 1.02 -0.30 0.00 2.39 0.00 -1.26 -5.00 105.19 102.05 1wwd n GLY 13 Ca -0.04 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.62 1wwd n GLY 13 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wwd n GLY 14 N 0.00 0.31 3.63 -0.02 0.00 -1.26 -5.14 105.19 102.71 1wwd n GLY 14 Ca 0.00 0.11 -0.37 0.00 0.00 0.00 0.00 46.02 45.76 1wwd n GLY 14 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1wwd s GLU 15 N 0.00 4.03 -0.14 1.61 2.02 -1.26 -5.04 118.70 119.92 1wwd s GLU 15 Ca 0.00 -0.26 -0.29 0.00 0.02 0.00 0.00 54.97 54.44 1wwd s GLU 15 Cb 0.00 -3.59 -0.03 0.00 0.10 0.00 0.00 34.13 30.61 1wwd s GLU 15 CO 0.00 -0.04 1.51 0.50 0.02 0.00 0.00 175.26 177.25 1wwd s ARG 16 N 1.36 4.09 0.06 1.61 6.06 -1.26 -4.43 118.95 126.44 1wwd s ARG 16 Ca 0.08 1.86 0.00 0.00 -2.50 0.00 0.00 55.73 55.17 1wwd s ARG 16 Cb -0.15 -3.93 0.00 0.00 0.06 0.00 0.00 34.95 30.94 1wwd s ARG 16 CO 0.07 -0.92 0.00 -2.13 -2.50 0.00 0.00 175.30 169.82 1wwd n ARG 17 N 7.11 -5.28 -3.86 5.12 3.00 -1.26 -4.94 116.66 116.55 1wwd n ARG 17 Ca 0.16 3.80 -0.30 0.00 -0.00 0.00 0.00 57.85 61.52 1wwd n ARG 17 Cb 0.44 -4.63 -0.11 0.00 0.00 0.00 0.00 32.46 28.16 1wwd n ARG 17 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.63 178.66 1wwd s ARG 18 N -0.58 2.57 0.00 -0.14 0.52 -1.26 -5.07 118.95 114.98 1wwd s ARG 18 Ca 0.00 -3.26 0.00 0.00 -0.52 0.00 0.00 55.73 51.95 1wwd s ARG 18 Cb 0.00 -3.52 0.00 0.00 0.52 0.00 0.00 34.95 31.95 1wwd s ARG 18 CO 0.00 -1.26 0.00 0.45 0.02 0.00 0.00 175.30 174.51 1wwd n SER 19 N 2.17 0.00 -1.83 0.23 2.88 -1.26 -1.38 113.62 114.42 1wwd n SER 19 Ca 0.18 0.00 -0.16 0.00 -1.33 0.00 0.00 58.87 57.56 1wwd n SER 19 Cb 0.35 0.00 0.06 0.00 -0.75 0.00 0.00 64.21 63.87 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 0.00 1.81 -1.73 -1.46 6.02 -1.26 -4.86 117.38 115.91 1wwd n GLN 20 Ca 0.00 -1.69 -0.18 0.00 -0.01 0.00 0.00 57.00 55.11 1wwd n GLN 20 Cb 0.00 -1.66 -0.09 0.00 1.02 0.00 0.00 30.24 29.51 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 -1.93 2.66 0.90 1.08 0.20 -0.48 -4.90 118.68 116.21 1wwd s LEU 21 Ca 0.33 -0.88 -0.10 0.00 0.69 0.00 0.00 54.13 54.17 1wwd s LEU 21 Cb 0.27 -2.58 0.13 0.00 -0.43 0.00 0.00 46.19 43.58 1wwd s LEU 21 CO 0.02 -4.10 1.13 -0.62 -0.29 0.00 0.00 176.35 172.48 1wwd s ASP 22 N 8.57 3.17 0.00 3.68 3.68 -1.26 -4.85 116.67 129.66 1wwd s ASP 22 Ca 0.80 2.05 0.10 0.00 2.13 0.00 0.00 52.55 57.64 1wwd s ASP 22 Cb -0.06 -2.53 0.47 0.00 -1.45 0.00 0.00 42.92 39.35 1wwd s ASP 22 CO 0.14 -2.92 1.30 0.54 0.13 0.00 0.00 175.17 174.36 1wwd n ARG 23 N -4.11 0.04 -0.51 4.34 5.12 -1.26 -1.29 116.66 118.99 1wwd n ARG 23 Ca 0.11 0.28 0.06 0.00 -1.93 0.00 0.00 57.85 56.37 1wwd n ARG 23 Cb 0.52 -1.50 0.10 0.00 -1.16 0.00 0.00 32.46 30.43 1wwd n ARG 23 CO 0.00 0.00 0.00 -0.25 -1.93 0.00 0.00 177.63 175.45 1wwd n ASP 24 N -1.44 1.43 -4.22 0.55 8.00 -1.26 -5.01 116.55 114.60 1wwd n ASP 24 Ca 0.03 -2.85 -0.34 0.00 0.71 0.00 0.00 54.79 52.34 1wwd n ASP 24 Cb 0.11 -0.38 -0.15 0.00 -0.02 0.00 0.00 41.12 40.68 1wwd n ASP 24 CO 0.00 0.00 0.00 -1.58 -0.39 0.00 0.00 177.20 175.23 1wwd s GLN 25 N -1.84 3.15 0.43 -1.24 0.74 -0.41 -0.23 119.66 120.26 1wwd s GLN 25 Ca 0.26 -0.75 -0.25 0.00 0.05 0.00 0.00 55.36 54.67 1wwd s GLN 25 Cb 0.25 -2.83 -0.10 0.00 1.10 0.00 0.00 33.01 31.43 1wwd s GLN 25 CO -0.03 -0.23 1.17 0.00 -0.55 0.00 0.00 175.29 175.65 1wwd n ALA 27 N -0.40 3.51 0.02 0.00 0.00 -1.26 -2.80 120.51 119.58 1wwd n ALA 27 Ca 0.08 -2.11 0.00 0.00 0.00 0.00 0.00 53.44 51.41 1wwd n ALA 27 Cb 0.40 -0.94 0.00 0.00 0.00 0.00 0.00 19.45 18.90 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 0.11 -0.18 0.18 0.00 9.36 -1.26 -4.85 117.16 120.51 1wwd n TYR 28 Ca 0.25 0.03 0.06 0.00 3.32 0.00 0.00 57.90 61.56 1wwd n TYR 28 Cb 1.07 0.15 -0.08 0.00 -0.63 0.00 0.00 39.34 39.85 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 -1.68 0.00 -1.31 0.00 5.02 -1.12 -5.00 118.16 114.07 1wwd n LYS 30 Ca -0.01 0.00 -0.51 0.00 -2.02 0.00 0.00 58.31 55.77 1wwd n LYS 30 Cb 0.26 -0.02 -0.07 0.00 -0.02 0.00 0.00 35.03 35.18 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 -0.12 0.00 -3.50 1.97 -0.58 -1.26 -2.76 120.64 114.39 1wwd n GLU 31 Ca 0.00 0.00 -0.37 0.00 -0.42 0.00 0.00 57.16 56.37 1wwd n GLU 31 Cb 0.00 -1.28 -0.06 0.00 -0.57 0.00 0.00 31.44 29.53 1wwd n GLU 31 CO 0.00 0.00 0.00 -1.59 -0.48 0.00 0.00 177.13 175.06 1wwd s LYS 32 N 0.33 4.11 0.00 3.49 0.00 -1.26 0.08 119.74 126.49 1wwd s LYS 32 Ca 0.79 0.26 0.00 0.00 0.00 0.00 0.00 55.97 57.02 1wwd s LYS 32 Cb -1.11 -3.35 0.00 0.00 0.00 0.00 0.00 37.83 33.38 1wwd s LYS 32 CO 0.51 0.40 0.00 0.41 0.00 0.00 0.00 175.35 176.67 1wwd n GLY 33 N 2.77 3.91 3.70 0.59 0.00 0.68 -4.96 105.19 111.88 1wwd n GLY 33 Ca -0.12 -0.81 -0.24 0.00 0.00 0.00 0.00 46.02 44.85 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 2.86 0.52 1.61 -3.43 -1.26 -5.00 115.29 110.59 1wwd s HIS 34 Ca 0.00 -0.16 -0.00 0.00 -0.80 0.00 0.00 55.06 54.10 1wwd s HIS 34 Cb 0.00 -1.31 0.02 0.00 -1.43 0.00 0.00 32.58 29.86 1wwd s HIS 34 CO 0.00 0.56 0.75 -1.58 -2.00 0.00 0.00 174.74 172.48 1wwd s TRP 35 N -2.09 3.04 0.26 0.38 0.52 -1.26 -3.64 118.94 116.15 1wwd s TRP 35 Ca 0.31 0.16 -0.04 0.00 0.02 0.00 0.00 56.10 56.54 1wwd s TRP 35 Cb -0.08 -2.60 0.34 0.00 -1.15 0.00 0.00 33.47 29.98 1wwd s TRP 35 CO 0.21 -0.69 1.90 0.00 0.02 0.00 0.00 176.95 178.39 1wwd h ALA 36 N 0.15 1.32 0.00 0.98 0.00 -1.94 0.61 119.26 120.38 1wwd h ALA 36 Ca -0.44 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1wwd h ALA 36 Cb 1.28 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 18.73 1wwd h ALA 36 CO 0.55 0.51 0.00 1.63 0.00 0.00 0.00 179.25 181.94 1wwd n LYS 37 N -4.47 0.12 -0.18 0.00 5.02 -1.26 -1.35 118.16 116.04 1wwd n LYS 37 Ca 0.14 0.19 0.07 0.00 -2.02 0.00 0.00 58.31 56.69 1wwd n LYS 37 Cb 0.12 -1.50 0.10 0.00 -0.02 0.00 0.00 35.03 33.73 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 -1.37 1.72 -4.65 4.39 2.03 0.18 -5.03 116.55 113.82 1wwd n ASP 38 Ca 0.05 -2.78 -0.43 0.00 0.52 0.00 0.00 54.79 52.16 1wwd n ASP 38 Cb 0.13 -0.36 -0.02 0.00 -0.72 0.00 0.00 41.12 40.15 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 7.19 0.23 0.13 0.00 -0.04 -1.26 -2.29 135.00 138.96 1wwd n PRO 40 Ca 0.16 0.09 0.13 0.00 -0.04 0.00 0.00 63.50 63.84 1wwd n PRO 40 Cb 0.45 -1.50 0.39 0.00 -0.04 0.00 0.00 33.50 32.79 1wwd n PRO 40 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 1wwd h LYS 41 N 0.00 0.00 -5.91 0.54 3.64 -1.96 -3.44 116.57 109.44 1wwd h LYS 41 Ca 0.00 0.00 -0.62 0.00 -1.27 0.00 0.00 60.65 58.76 1wwd h LYS 41 Cb 0.26 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.07 1wwd h LYS 41 CO 0.00 0.00 1.48 1.63 -2.27 0.00 0.00 179.45 180.29 1wwd n LYS 42 N -2.41 1.33 -1.42 1.90 5.02 -0.97 -4.92 118.16 116.69 1wwd n LYS 42 Ca 0.05 0.33 -0.29 0.00 -2.02 0.00 0.00 58.31 56.38 1wwd n LYS 42 Cb 0.42 -2.79 0.22 0.00 -0.02 0.00 0.00 35.03 32.86 1wwd n LYS 42 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 1wwd n PRO 43 N 8.49 -2.16 -2.87 1.97 -0.04 -1.26 -4.99 135.00 134.14 1wwd n PRO 43 Ca 0.38 -1.84 -0.42 0.00 -0.04 0.00 0.00 63.50 61.58 1wwd n PRO 43 Cb 0.33 -1.45 -0.04 0.00 -0.04 0.00 0.00 33.50 32.30 1wwd n PRO 43 CO 0.00 0.00 0.00 0.50 -0.04 0.00 0.00 175.50 175.96 1wwd s ARG 44 N -5.60 4.09 0.88 0.54 3.52 -1.26 -5.05 118.95 116.07 1wwd s ARG 44 Ca 0.71 0.84 -0.15 0.00 -0.13 0.00 0.00 55.73 57.00 1wwd s ARG 44 Cb -0.04 -3.69 0.21 0.00 -1.56 0.00 0.00 34.95 29.87 1wwd s ARG 44 CO 0.52 -0.63 1.07 0.41 -0.81 0.00 0.00 175.30 175.85 1wwd n GLY 45 N 3.92 -1.80 3.76 8.12 0.00 -1.26 -4.80 105.19 113.13 1wwd n GLY 45 Ca 0.06 -1.64 -0.30 0.00 0.00 0.00 0.00 46.02 44.13 1wwd n GLY 45 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wwd s PRO 46 N -5.35 -0.49 -0.11 1.61 0.04 -1.26 -5.20 135.00 124.23 1wwd s PRO 46 Ca 0.62 -0.32 -0.31 0.00 0.04 0.00 0.00 61.00 61.03 1wwd s PRO 46 Cb -0.03 -1.71 0.12 0.00 0.04 0.00 0.00 34.50 32.93 1wwd s PRO 46 CO 0.45 -3.18 1.03 0.50 0.04 0.00 0.00 177.00 175.84 1wwd s ARG 47 N -5.71 0.57 -0.12 4.56 3.52 -1.26 -5.06 118.95 115.45 1wwd s ARG 47 Ca 0.74 -0.11 -0.01 0.00 -0.13 0.00 0.00 55.73 56.22 1wwd s ARG 47 Cb -0.05 0.26 0.00 0.00 -1.56 0.00 0.00 34.95 33.60 1wwd s ARG 47 CO 0.55 -0.23 0.12 0.41 -0.81 0.00 0.00 175.30 175.34 1wwd n GLY 48 N 0.10 -0.53 3.56 8.12 0.00 -1.26 -4.94 105.19 110.23 1wwd n GLY 48 Ca -0.06 -0.04 -0.40 0.00 0.00 0.00 0.00 46.02 45.52 1wwd n GLY 48 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wwd s PRO 49 N -2.65 3.03 0.26 1.61 0.04 -1.26 -4.96 135.00 131.06 1wwd s PRO 49 Ca 0.01 0.30 -0.31 0.00 0.04 0.00 0.00 61.00 61.04 1wwd s PRO 49 Cb -0.00 -4.24 -0.13 0.00 0.04 0.00 0.00 34.50 30.17 1wwd s PRO 49 CO 0.13 -2.29 1.37 0.54 0.04 0.00 0.00 177.00 176.80 1wwd n ARG 50 N 9.08 2.01 0.03 4.56 1.74 -1.26 -4.93 116.66 127.90 1wwd n ARG 50 Ca 0.12 0.71 -0.09 0.00 -0.77 0.00 0.00 57.85 57.83 1wwd n ARG 50 Cb 0.50 -2.35 -0.07 0.00 -1.02 0.00 0.00 32.46 29.53 1wwd n ARG 50 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 1wwd h PRO 51 N 3.86 -0.18 -3.40 5.56 0.13 -2.03 -3.50 132.00 132.45 1wwd h PRO 51 Ca -0.45 0.01 0.34 0.00 -0.87 0.00 0.00 66.00 65.03 1wwd h PRO 51 Cb 1.28 0.04 -0.18 0.00 0.13 0.00 0.00 31.00 32.27 1wwd h PRO 51 CO 0.73 0.23 -1.16 0.94 -0.23 0.00 0.00 178.00 178.51 1wwd n GLN 52 N -4.88 -3.15 -1.42 0.86 7.27 -1.26 -5.00 117.38 109.80 1wwd n GLN 52 Ca -0.07 2.54 0.07 0.00 0.07 0.00 0.00 57.00 59.62 1wwd n GLN 52 Cb 0.24 -3.73 -0.04 0.00 2.41 0.00 0.00 30.24 29.12 1wwd n GLN 52 CO 0.00 0.00 0.00 2.41 0.07 0.00 0.00 177.06 179.54 1wwd n THR 53 N -4.29 -1.91 -2.69 1.69 -1.04 -1.26 -4.96 114.28 99.82 1wwd n THR 53 Ca -0.08 1.16 -0.06 0.00 -2.04 0.00 0.00 64.05 63.03 1wwd n THR 53 Cb 0.66 -1.87 0.01 0.00 -1.82 0.00 0.00 70.33 67.31 1wwd n THR 53 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 1wwd n SER 54 N -3.29 -7.37 -4.21 8.00 7.64 -1.26 -5.01 113.62 108.12 1wwd n SER 54 Ca -0.04 0.65 -0.34 0.00 1.01 0.00 0.00 58.87 60.15 1wwd n SER 54 Cb 0.54 -4.95 -0.15 0.00 -1.01 0.00 0.00 64.21 58.65 1wwd n SER 54 CO 0.00 0.00 0.00 -1.48 -3.01 0.00 0.00 175.04 170.55 1wwd s LEU 55 N -2.25 2.74 0.00 -3.43 2.34 -1.26 -5.19 118.68 111.64 1wwd s LEU 55 Ca 0.18 -0.63 0.30 0.00 0.06 0.00 0.00 54.13 54.04 1wwd s LEU 55 Cb -0.05 -1.63 1.46 0.00 -0.56 0.00 0.00 46.19 45.41 1wwd s LEU 55 CO 0.69 -0.05 1.98 0.18 -1.06 0.00 0.00 176.35 178.09