#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 0.00-13.38 -3.69 0.00 -1.04 -1.26 -5.07 114.28 89.84 1wwd n THR 2 Ca 0.00 3.26 -0.14 0.00 -2.04 0.00 0.00 64.05 65.14 1wwd n THR 2 Cb 0.00 -5.79 -0.09 0.00 -1.82 0.00 0.00 70.33 62.63 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 -0.55 0.00 0.01 12.58 0.11 -1.26 -5.17 120.40 126.13 1wwd s VAL 3 Ca 0.00 -0.01 -0.07 0.00 -2.93 0.00 0.00 61.98 58.97 1wwd s VAL 3 Cb 0.00 -0.74 -0.00 0.00 -1.53 0.00 0.00 36.38 34.11 1wwd s VAL 3 CO 0.00 -0.00 0.14 0.68 -3.33 0.00 0.00 175.10 172.58 1wwd s VAL 4 N 0.25 0.10 0.00 2.04 -7.23 -1.26 -5.16 120.40 109.13 1wwd s VAL 4 Ca -0.00 -0.79 0.00 0.00 -1.81 0.00 0.00 61.98 59.37 1wwd s VAL 4 Cb -0.04 -0.58 0.00 0.00 0.56 0.00 0.00 36.38 36.33 1wwd s VAL 4 CO 0.01 -0.44 0.00 -1.54 -0.31 0.00 0.00 175.10 172.82 1wwd n SER 5 N 1.22 0.00 -3.63 4.85 3.41 -1.26 -5.19 113.62 113.02 1wwd n SER 5 Ca -0.22 0.00 -0.03 0.00 -0.26 0.00 0.00 58.87 58.37 1wwd n SER 5 Cb 0.56 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.48 1wwd n SER 5 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1wwd s GLY 6 N 0.00 -0.03 0.00 5.00 0.00 -1.26 -5.18 107.32 105.85 1wwd s GLY 6 Ca 0.00 2.48 0.00 0.00 0.00 0.00 0.00 44.72 47.20 1wwd s GLY 6 CO 0.00 0.95 0.00 -0.18 0.00 0.00 0.00 173.10 173.87 1wwd n GLN 7 N 0.37 0.00 -3.70 2.90 7.27 -1.26 -5.15 117.38 117.81 1wwd n GLN 7 Ca 0.00 0.00 -0.21 0.00 0.07 0.00 0.00 57.00 56.87 1wwd n GLN 7 Cb 0.58 0.00 -0.18 0.00 2.41 0.00 0.00 30.24 33.05 1wwd n GLN 7 CO 0.00 0.00 0.00 0.15 0.07 0.00 0.00 177.06 177.28 1wwd s LYS 8 N -1.26 0.10 -0.18 3.69 3.01 -1.26 -5.13 119.74 118.71 1wwd s LYS 8 Ca 0.00 0.30 -0.29 0.00 -1.01 0.00 0.00 55.97 54.97 1wwd s LYS 8 Cb 0.00 -0.64 0.12 0.00 -1.01 0.00 0.00 37.83 36.30 1wwd s LYS 8 CO 0.00 -0.33 0.98 -1.14 0.51 0.00 0.00 175.35 175.38 1wwd s GLN 9 N 2.12 0.61 0.00 1.68 0.74 -1.26 -5.18 119.66 118.36 1wwd s GLN 9 Ca 0.05 0.25 0.00 0.00 0.05 0.00 0.00 55.36 55.71 1wwd s GLN 9 Cb -0.12 0.29 0.00 0.00 1.10 0.00 0.00 33.01 34.28 1wwd s GLN 9 CO -0.04 -0.17 0.00 -3.47 -0.55 0.00 0.00 175.29 171.06 1wwd n ASP 10 N 1.05 0.00 -1.09 6.67 2.03 -1.26 -5.16 116.55 118.78 1wwd n ASP 10 Ca -0.11 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.20 1wwd n ASP 10 Cb 0.57 0.00 -0.00 0.00 -0.72 0.00 0.00 41.12 40.97 1wwd n ASP 10 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1wwd n ARG 11 N -0.15 -2.86 0.06 -0.67 5.12 -1.26 -5.02 116.66 111.88 1wwd n ARG 11 Ca 0.00 2.22 0.00 0.00 -1.93 0.00 0.00 57.85 58.14 1wwd n ARG 11 Cb 0.00 -2.79 0.00 0.00 -1.16 0.00 0.00 32.46 28.51 1wwd n ARG 11 CO 0.00 0.00 0.00 0.94 -1.93 0.00 0.00 177.63 176.64 1wwd n GLN 12 N -2.32 0.00 -1.94 5.56 -0.06 -1.26 -5.13 117.38 112.22 1wwd n GLN 12 Ca -0.00 0.00 -0.02 0.00 -2.00 0.00 0.00 57.00 54.98 1wwd n GLN 12 Cb 0.34 -0.41 -0.02 0.00 -4.06 0.00 0.00 30.24 26.09 1wwd n GLN 12 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1wwd n GLY 13 N 3.10 -4.17 3.81 1.69 0.00 -1.26 -5.11 105.19 103.24 1wwd n GLY 13 Ca 0.00 0.46 -0.08 0.00 0.00 0.00 0.00 46.02 46.40 1wwd n GLY 13 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1wwd s GLY 14 N -0.32 0.21 0.06 -0.02 0.00 -1.26 -5.11 107.32 100.89 1wwd s GLY 14 Ca -0.11 -0.59 0.00 0.00 0.00 0.00 0.00 44.72 44.02 1wwd s GLY 14 CO 0.29 -0.25 0.00 -2.21 0.00 0.00 0.00 173.10 170.93 1wwd n GLU 15 N -0.49 0.00 -3.65 2.90 2.13 -1.26 -5.14 120.64 115.13 1wwd n GLU 15 Ca -0.06 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.77 1wwd n GLU 15 Cb 0.60 -0.07 -0.06 0.00 0.27 0.00 0.00 31.44 32.17 1wwd n GLU 15 CO 0.00 0.00 0.00 0.50 -0.41 0.00 0.00 177.13 177.22 1wwd s ARG 16 N -1.29 0.05 -0.06 5.31 6.06 -1.26 -5.18 118.95 122.57 1wwd s ARG 16 Ca 0.00 0.08 -0.29 0.00 -2.50 0.00 0.00 55.73 53.01 1wwd s ARG 16 Cb 0.00 0.02 0.11 0.00 0.06 0.00 0.00 34.95 35.13 1wwd s ARG 16 CO 0.00 -0.01 0.91 -0.98 -2.50 0.00 0.00 175.30 172.72 1wwd s ARG 17 N 0.68 0.76 0.48 5.12 3.03 -1.26 -5.15 118.95 122.61 1wwd s ARG 17 Ca -0.03 -0.11 -0.23 0.00 2.03 0.00 0.00 55.73 57.39 1wwd s ARG 17 Cb -0.03 0.35 -0.08 0.00 -1.03 0.00 0.00 34.95 34.16 1wwd s ARG 17 CO -0.12 -0.30 1.24 0.54 -1.13 0.00 0.00 175.30 175.53 1wwd n ARG 18 N 0.16 1.69 -1.51 3.89 5.12 -1.26 -4.67 116.66 120.08 1wwd n ARG 18 Ca -0.10 0.61 -0.30 0.00 -1.93 0.00 0.00 57.85 56.14 1wwd n ARG 18 Cb 0.60 -2.39 -0.16 0.00 -1.16 0.00 0.00 32.46 29.35 1wwd n ARG 18 CO 0.00 0.00 0.00 0.43 -1.93 0.00 0.00 177.63 176.13 1wwd n SER 19 N -0.25 -0.05 -4.04 0.55 7.64 -1.26 -1.29 113.62 114.93 1wwd n SER 19 Ca 0.09 -0.38 -0.33 0.00 1.01 0.00 0.00 58.87 59.26 1wwd n SER 19 Cb 0.42 -0.92 -0.07 0.00 -1.01 0.00 0.00 64.21 62.63 1wwd n SER 19 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1wwd n GLN 20 N 7.37 -0.82 -3.40 1.43 6.02 -1.26 -4.81 117.38 121.91 1wwd n GLN 20 Ca 0.62 0.10 -0.44 0.00 -0.01 0.00 0.00 57.00 57.27 1wwd n GLN 20 Cb 0.17 -3.64 -0.02 0.00 1.02 0.00 0.00 30.24 27.77 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 -6.36 6.31 0.89 1.08 0.20 -0.41 -5.00 118.68 115.38 1wwd s LEU 21 Ca 0.48 -3.24 -0.11 0.00 0.69 0.00 0.00 54.13 51.95 1wwd s LEU 21 Cb -0.28 -2.14 0.13 0.00 -0.43 0.00 0.00 46.19 43.47 1wwd s LEU 21 CO 0.85 -0.38 1.17 -0.62 -0.29 0.00 0.00 176.35 177.08 1wwd s ASP 22 N 1.37 3.07 0.00 3.68 2.15 -1.26 -4.70 116.67 120.98 1wwd s ASP 22 Ca 0.25 2.26 0.10 0.00 0.43 0.00 0.00 52.55 55.59 1wwd s ASP 22 Cb -0.10 -2.58 0.47 0.00 -0.30 0.00 0.00 42.92 40.41 1wwd s ASP 22 CO -0.09 -3.01 1.28 0.54 -0.17 0.00 0.00 175.17 173.72 1wwd n ARG 23 N -3.97 0.06 -0.65 4.34 5.12 -1.26 -1.40 116.66 118.90 1wwd n ARG 23 Ca 0.12 0.27 0.04 0.00 -1.93 0.00 0.00 57.85 56.36 1wwd n ARG 23 Cb 0.52 -1.50 0.07 0.00 -1.16 0.00 0.00 32.46 30.39 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 -1.41 1.08 -4.39 0.55 4.64 -1.26 -5.02 116.55 110.74 1wwd n ASP 24 Ca 0.03 -2.57 -0.37 0.00 -1.38 0.00 0.00 54.79 50.51 1wwd n ASP 24 Cb 0.10 -0.33 -0.13 0.00 -1.04 0.00 0.00 41.12 39.73 1wwd n ASP 24 CO 0.00 0.00 0.00 -1.10 -0.82 0.00 0.00 177.20 175.28 1wwd s GLN 25 N -1.21 3.34 0.18 -0.67 -0.21 -0.50 -0.89 119.66 119.71 1wwd s GLN 25 Ca 0.22 -0.69 -0.33 0.00 0.02 0.00 0.00 55.36 54.58 1wwd s GLN 25 Cb 0.22 -3.35 -0.14 0.00 1.00 0.00 0.00 33.01 30.74 1wwd s GLN 25 CO -0.04 -0.33 1.53 0.00 -2.12 0.00 0.00 175.29 174.33 1wwd n ALA 27 N 3.00 5.81 0.05 0.00 0.00 -1.26 -2.74 120.51 125.37 1wwd n ALA 27 Ca 0.15 -3.13 0.00 0.00 0.00 0.00 0.00 53.44 50.46 1wwd n ALA 27 Cb 0.30 -1.52 0.00 0.00 0.00 0.00 0.00 19.45 18.23 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 -1.06 -0.53 -0.03 0.00 9.36 -1.26 -4.88 117.16 118.76 1wwd n TYR 28 Ca 0.60 0.09 0.03 0.00 3.32 0.00 0.00 57.90 61.94 1wwd n TYR 28 Cb 1.28 0.21 -0.12 0.00 -0.63 0.00 0.00 39.34 40.08 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 -2.24 0.00 -3.59 0.00 5.02 -1.11 -5.06 118.16 111.18 1wwd n LYS 30 Ca -0.11 0.08 -0.37 0.00 -2.02 0.00 0.00 58.31 55.89 1wwd n LYS 30 Cb 0.63 -1.61 -0.10 0.00 -0.02 0.00 0.00 35.03 33.93 1wwd n LYS 30 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1wwd s GLU 31 N -1.82 4.03 0.02 1.97 0.41 -1.25 -4.79 118.70 117.27 1wwd s GLU 31 Ca 0.00 -0.23 -0.29 0.00 -0.41 0.00 0.00 54.97 54.05 1wwd s GLU 31 Cb 0.00 -3.59 -0.04 0.00 -1.78 0.00 0.00 34.13 28.72 1wwd s GLU 31 CO 0.00 -0.06 0.93 0.21 -0.49 0.00 0.00 175.26 175.84 1wwd s LYS 32 N 1.42 4.57 0.00 1.61 2.20 -1.26 -1.23 119.74 127.05 1wwd s LYS 32 Ca 0.09 1.34 0.00 0.00 -0.36 0.00 0.00 55.97 57.04 1wwd s LYS 32 Cb -0.15 -3.43 0.00 0.00 -1.51 0.00 0.00 37.83 32.74 1wwd s LYS 32 CO 0.08 0.05 0.00 0.41 -0.36 0.00 0.00 175.35 175.53 1wwd n GLY 33 N 2.72 4.07 3.56 5.54 0.00 -0.07 -4.95 105.19 116.06 1wwd n GLY 33 Ca 0.04 -0.80 -0.24 0.00 0.00 0.00 0.00 46.02 45.02 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 2.51 0.43 1.61 -3.43 -1.26 -5.00 115.29 110.15 1wwd s HIS 34 Ca 0.00 -0.27 -0.01 0.00 -0.80 0.00 0.00 55.06 53.98 1wwd s HIS 34 Cb 0.00 -1.12 -0.02 0.00 -1.43 0.00 0.00 32.58 30.01 1wwd s HIS 34 CO 0.00 0.64 0.67 -1.58 -2.00 0.00 0.00 174.74 172.47 1wwd s TRP 35 N -2.29 3.42 0.38 0.38 0.52 -1.26 -2.61 118.94 117.47 1wwd s TRP 35 Ca 0.30 0.45 0.05 0.00 0.02 0.00 0.00 56.10 56.91 1wwd s TRP 35 Cb -0.06 -2.18 0.75 0.00 -1.15 0.00 0.00 33.47 30.83 1wwd s TRP 35 CO 0.17 -0.19 2.03 0.00 0.02 0.00 0.00 176.95 178.98 1wwd h ALA 36 N 0.45 1.64 0.00 0.98 0.00 -1.91 0.50 119.26 120.92 1wwd h ALA 36 Ca -0.48 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.40 1wwd h ALA 36 Cb 1.23 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.81 1wwd h ALA 36 CO 0.60 0.32 0.00 1.63 0.00 0.00 0.00 179.25 181.80 1wwd n LYS 37 N -4.46 0.05 -0.32 0.00 5.02 -1.26 -1.40 118.16 115.80 1wwd n LYS 37 Ca 0.06 0.25 0.06 0.00 -2.02 0.00 0.00 58.31 56.65 1wwd n LYS 37 Cb 0.07 -1.50 0.09 0.00 -0.02 0.00 0.00 35.03 33.67 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 -1.44 1.43 -4.72 4.39 -0.08 0.15 -5.06 116.55 111.23 1wwd n ASP 38 Ca 0.04 -2.72 -0.42 0.00 -1.51 0.00 0.00 54.79 50.18 1wwd n ASP 38 Cb 0.14 -0.35 -0.03 0.00 2.34 0.00 0.00 41.12 43.21 1wwd n ASP 38 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1wwd n PRO 40 N 3.88 0.75 0.04 0.00 -0.04 -1.26 -2.04 135.00 136.32 1wwd n PRO 40 Ca 0.12 0.00 0.11 0.00 -0.04 0.00 0.00 63.50 63.69 1wwd n PRO 40 Cb 0.41 -1.48 -0.09 0.00 -0.04 0.00 0.00 33.50 32.30 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 0.59 -2.27 0.54 4.81 -1.26 -4.93 118.16 114.65 1wwd n LYS 41 Ca 0.17 -0.06 -0.33 0.00 -0.87 0.00 0.00 58.31 57.22 1wwd n LYS 41 Cb 0.08 -1.64 -0.01 0.00 0.02 0.00 0.00 35.03 33.48 1wwd n LYS 41 CO 0.00 0.00 0.00 0.15 1.17 0.00 0.00 177.40 178.72 1wwd s LYS 42 N -3.42 3.61 0.33 1.64 1.02 -0.86 -5.01 119.74 117.04 1wwd s LYS 42 Ca -0.04 1.19 -0.27 0.00 0.02 0.00 0.00 55.97 56.87 1wwd s LYS 42 Cb 0.12 -2.08 -0.09 0.00 -0.52 0.00 0.00 37.83 35.27 1wwd s LYS 42 CO 0.86 -0.57 1.07 -1.25 -0.92 0.00 0.00 175.35 174.53 1wwd s PRO 43 N -3.83 4.45 -0.54 -1.68 0.04 -1.26 -5.00 135.00 127.19 1wwd s PRO 43 Ca 0.63 1.67 0.04 0.00 0.04 0.00 0.00 61.00 63.38 1wwd s PRO 43 Cb -0.14 -2.92 0.14 0.00 0.04 0.00 0.00 34.50 31.61 1wwd s PRO 43 CO 0.31 0.08 0.30 1.03 0.04 0.00 0.00 177.00 178.75 1wwd s ARG 44 N -1.87 1.94 0.50 4.56 0.52 -1.26 -5.09 118.95 118.25 1wwd s ARG 44 Ca 0.50 -2.65 0.05 0.00 -0.52 0.00 0.00 55.73 53.11 1wwd s ARG 44 Cb -0.28 -3.16 0.00 0.00 0.52 0.00 0.00 34.95 32.04 1wwd s ARG 44 CO 0.35 -1.15 0.26 0.20 0.02 0.00 0.00 175.30 174.98 1wwd s GLY 45 N -0.39 2.50 0.65 -3.53 0.00 -1.26 -4.48 107.32 100.81 1wwd s GLY 45 Ca 0.19 -1.29 -0.13 0.00 0.00 0.00 0.00 44.72 43.49 1wwd s GLY 45 CO -0.03 -1.98 1.05 2.56 0.00 0.00 0.00 173.10 174.70 1wwd s PRO 46 N -4.09 3.13 -0.51 2.90 0.04 -1.26 -4.99 135.00 130.21 1wwd s PRO 46 Ca 0.30 1.04 -0.43 0.00 0.04 0.00 0.00 61.00 61.95 1wwd s PRO 46 Cb 0.00 -2.01 -0.19 0.00 0.04 0.00 0.00 34.50 32.34 1wwd s PRO 46 CO 0.18 -0.95 2.13 -2.13 0.04 0.00 0.00 177.00 176.27 1wwd n ARG 47 N -2.66 0.00 -0.16 4.56 0.63 -1.26 -4.88 116.66 112.89 1wwd n ARG 47 Ca 0.08 0.00 -0.13 0.00 -0.92 0.00 0.00 57.85 56.88 1wwd n ARG 47 Cb 0.53 -1.48 0.12 0.00 0.45 0.00 0.00 32.46 32.09 1wwd n ARG 47 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1wwd n GLY 48 N 7.35 -3.59 2.82 5.14 0.00 -1.26 -4.77 105.19 110.89 1wwd n GLY 48 Ca 0.55 -1.30 -0.40 0.00 0.00 0.00 0.00 46.02 44.87 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 -3.47 2.28 -3.75 1.61 -0.04 -1.26 -4.81 135.00 125.56 1wwd n PRO 49 Ca 0.06 -2.11 -0.13 0.00 -0.04 0.00 0.00 63.50 61.28 1wwd n PRO 49 Cb 0.25 -2.98 -0.09 0.00 -0.04 0.00 0.00 33.50 30.64 1wwd n PRO 49 CO 0.00 0.00 0.00 -0.98 -0.04 0.00 0.00 175.50 174.48 1wwd s ARG 50 N 3.87 0.60 0.26 0.54 1.04 -1.26 -5.15 118.95 118.84 1wwd s ARG 50 Ca 0.52 0.04 -0.30 0.00 -1.04 0.00 0.00 55.73 54.96 1wwd s ARG 50 Cb 0.14 0.27 -0.09 0.00 -2.04 0.00 0.00 34.95 33.23 1wwd s ARG 50 CO 0.01 -0.14 1.09 -1.25 -0.04 0.00 0.00 175.30 174.96 1wwd s PRO 51 N -0.83 4.65 -0.23 3.89 0.04 -1.26 -5.04 135.00 136.22 1wwd s PRO 51 Ca -0.09 1.76 -0.10 0.00 0.04 0.00 0.00 61.00 62.61 1wwd s PRO 51 Cb -0.04 -3.21 0.09 0.00 0.04 0.00 0.00 34.50 31.37 1wwd s PRO 51 CO 0.03 0.22 0.52 -1.14 0.04 0.00 0.00 177.00 176.67 1wwd s GLN 52 N -1.23 0.48 -0.16 4.56 0.74 -1.26 -5.14 119.66 117.66 1wwd s GLN 52 Ca 0.45 1.09 -0.04 0.00 0.05 0.00 0.00 55.36 56.91 1wwd s GLN 52 Cb -0.31 0.29 0.07 0.00 1.10 0.00 0.00 33.01 34.17 1wwd s GLN 52 CO 0.39 -0.19 0.17 0.99 -0.55 0.00 0.00 175.29 176.10 1wwd s THR 53 N 2.10 -0.25 -0.12 -0.34 2.01 -1.26 -5.13 115.64 112.65 1wwd s THR 53 Ca -0.07 0.01 0.02 0.00 0.31 0.00 0.00 61.69 61.96 1wwd s THR 53 Cb -0.09 -0.54 -0.01 0.00 0.01 0.00 0.00 72.50 71.87 1wwd s THR 53 CO -0.16 -0.12 -0.18 -0.44 -0.69 0.00 0.00 174.62 173.03 1wwd s SER 54 N 2.27 3.60 0.00 3.53 0.01 -1.26 -5.09 113.70 116.76 1wwd s SER 54 Ca 0.05 -0.44 -0.30 0.00 1.31 0.00 0.00 55.95 56.57 1wwd s SER 54 Cb -0.15 -1.52 0.11 0.00 0.21 0.00 0.00 66.02 64.67 1wwd s SER 54 CO -0.09 0.16 1.22 -1.48 0.41 0.00 0.00 173.24 173.45 1wwd s LEU 55 N 0.38 -0.09 0.00 2.44 2.34 -1.26 -5.38 118.68 117.11 1wwd s LEU 55 Ca -0.14 -0.18 0.17 0.00 0.06 0.00 0.00 54.13 54.04 1wwd s LEU 55 Cb -0.17 1.53 0.99 0.00 -0.56 0.00 0.00 46.19 47.98 1wwd s LEU 55 CO 0.07 -0.41 1.39 -0.11 -1.06 0.00 0.00 176.35 176.23