#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 -9.34 -2.39 0.00 -1.04 -1.26 -4.92 114.28 95.33 1wwd n THR 2 Ca 0.00 -0.05 -0.35 0.00 -2.04 0.00 0.00 64.05 61.61 1wwd n THR 2 Cb 0.00 -6.43 0.01 0.00 -1.82 0.00 0.00 70.33 62.10 1wwd n THR 2 CO 0.00 0.00 0.00 0.55 -0.64 0.00 0.00 175.07 174.98 1wwd n VAL 3 N -1.64 3.92 -4.42 12.58 3.14 -1.26 -4.99 118.33 125.67 1wwd n VAL 3 Ca -0.03 -5.09 -0.25 0.00 -2.96 0.00 0.00 64.34 56.01 1wwd n VAL 3 Cb 0.52 -1.35 -0.11 0.00 -1.06 0.00 0.00 33.84 31.84 1wwd n VAL 3 CO 0.00 0.00 0.00 0.68 -6.46 0.00 0.00 176.83 171.05 1wwd s VAL 4 N -4.89 2.27 0.10 1.55 -7.23 -1.26 -5.15 120.40 105.79 1wwd s VAL 4 Ca 0.47 -2.10 -0.03 0.00 -1.81 0.00 0.00 61.98 58.51 1wwd s VAL 4 Cb 0.34 -2.11 -0.03 0.00 0.56 0.00 0.00 36.38 35.14 1wwd s VAL 4 CO -0.25 -0.22 0.08 -0.55 -0.31 0.00 0.00 175.10 173.85 1wwd s SER 5 N -2.86 0.31 0.00 4.85 0.15 -1.26 -5.17 113.70 109.72 1wwd s SER 5 Ca 0.22 -0.99 0.00 0.00 0.70 0.00 0.00 55.95 55.88 1wwd s SER 5 Cb -0.07 0.29 0.00 0.00 -1.71 0.00 0.00 66.02 64.53 1wwd s SER 5 CO 0.10 -0.70 0.00 0.61 1.20 0.00 0.00 173.24 174.45 1wwd n GLY 6 N -0.03 4.33 3.30 9.45 0.00 -1.26 -5.18 105.19 115.80 1wwd n GLY 6 Ca -0.11 -1.20 -0.14 0.00 0.00 0.00 0.00 46.02 44.57 1wwd n GLY 6 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1wwd s GLN 7 N 0.78 0.64 -0.14 1.61 2.00 -1.26 -5.15 119.66 118.14 1wwd s GLN 7 Ca 0.00 0.18 0.01 0.00 -2.00 0.00 0.00 55.36 53.55 1wwd s GLN 7 Cb 0.00 0.30 0.02 0.00 0.80 0.00 0.00 33.01 34.12 1wwd s GLN 7 CO 0.00 -0.15 -0.15 0.15 -0.50 0.00 0.00 175.29 174.64 1wwd s LYS 8 N -0.67 2.36 0.40 1.67 3.01 -1.26 -5.12 119.74 120.13 1wwd s LYS 8 Ca -0.08 -0.60 -0.24 0.00 -1.01 0.00 0.00 55.97 54.05 1wwd s LYS 8 Cb -0.04 -2.08 -0.09 0.00 -1.01 0.00 0.00 37.83 34.61 1wwd s LYS 8 CO 0.03 -0.16 1.02 -1.14 0.51 0.00 0.00 175.35 175.61 1wwd s GLN 9 N 1.26 4.21 0.47 1.68 0.74 -1.26 -5.03 119.66 121.73 1wwd s GLN 9 Ca 0.00 1.42 -0.17 0.00 0.05 0.00 0.00 55.36 56.66 1wwd s GLN 9 Cb -0.14 -2.50 -0.09 0.00 1.10 0.00 0.00 33.01 31.38 1wwd s GLN 9 CO -0.07 -0.08 0.94 0.34 -0.55 0.00 0.00 175.29 175.87 1wwd s ASP 10 N -1.69 6.71 -0.22 6.67 2.15 -1.26 -5.05 116.67 123.99 1wwd s ASP 10 Ca 0.58 1.55 -0.05 0.00 0.43 0.00 0.00 52.55 55.06 1wwd s ASP 10 Cb -0.19 -2.49 -0.02 0.00 -0.30 0.00 0.00 42.92 39.91 1wwd s ASP 10 CO 0.24 -0.49 0.00 -0.13 -0.17 0.00 0.00 175.17 174.63 1wwd s ARG 11 N -3.74 3.53 0.58 4.34 0.52 -1.26 -5.10 118.95 117.81 1wwd s ARG 11 Ca 0.59 -0.55 -0.11 0.00 -0.52 0.00 0.00 55.73 55.14 1wwd s ARG 11 Cb -0.10 -3.11 -0.05 0.00 0.52 0.00 0.00 34.95 32.22 1wwd s ARG 11 CO 0.25 -0.11 0.98 1.14 0.02 0.00 0.00 175.30 177.58 1wwd s GLN 12 N 1.33 3.64 0.12 3.54 -2.07 -1.26 -5.08 119.66 119.88 1wwd s GLN 12 Ca 0.04 0.68 0.09 0.00 -1.82 0.00 0.00 55.36 54.35 1wwd s GLN 12 Cb -0.15 -2.15 -0.04 0.00 -1.09 0.00 0.00 33.01 29.59 1wwd s GLN 12 CO 0.00 -0.45 -0.17 0.20 -1.32 0.00 0.00 175.29 173.56 1wwd s GLY 13 N -3.98 1.71 -0.30 2.60 0.00 -1.26 -5.11 107.32 100.98 1wwd s GLY 13 Ca 0.54 -1.36 -0.13 0.00 0.00 0.00 0.00 44.72 43.76 1wwd s GLY 13 CO 0.49 -1.35 1.03 -0.32 0.00 0.00 0.00 173.10 172.95 1wwd s GLY 14 N -2.24 -0.29 0.27 0.20 0.00 -1.26 -5.06 107.32 98.95 1wwd s GLY 14 Ca 0.19 2.86 0.00 0.00 0.00 0.00 0.00 44.72 47.78 1wwd s GLY 14 CO 0.11 3.61 0.00 1.18 0.00 0.00 0.00 173.10 178.00 1wwd n GLU 15 N 5.27 0.00 -4.26 2.90 -0.58 -1.26 -5.16 120.64 117.55 1wwd n GLU 15 Ca -0.07 0.00 -0.16 0.00 -0.42 0.00 0.00 57.16 56.51 1wwd n GLU 15 Cb 0.53 0.00 -0.09 0.00 -0.57 0.00 0.00 31.44 31.31 1wwd n GLU 15 CO 0.00 0.00 0.00 0.50 -0.48 0.00 0.00 177.13 177.15 1wwd s ARG 16 N -2.00 1.48 1.14 3.49 3.00 -1.26 -5.16 118.95 119.65 1wwd s ARG 16 Ca 0.00 -1.83 -0.17 0.00 -1.00 0.00 0.00 55.73 52.74 1wwd s ARG 16 Cb 0.00 0.19 0.26 0.00 0.00 0.00 0.00 34.95 35.40 1wwd s ARG 16 CO 0.00 -0.49 0.59 0.54 0.00 0.00 0.00 175.30 175.94 1wwd n ARG 17 N -0.46 -2.84 -2.68 5.12 3.00 -1.26 -4.99 116.66 112.56 1wwd n ARG 17 Ca 0.03 -0.99 -0.08 0.00 -0.01 0.00 0.00 57.85 56.80 1wwd n ARG 17 Cb 0.65 -1.57 0.04 0.00 0.00 0.00 0.00 32.46 31.57 1wwd n ARG 17 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.63 180.52 1wwd n ARG 18 N -3.21 1.19 -4.07 5.56 1.85 -1.26 -4.96 116.66 111.75 1wwd n ARG 18 Ca 0.09 -3.17 -0.29 0.00 -1.00 0.00 0.00 57.85 53.48 1wwd n ARG 18 Cb 0.41 -1.19 -0.03 0.00 -1.05 0.00 0.00 32.46 30.60 1wwd n ARG 18 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 177.63 178.07 1wwd n SER 19 N -0.14 -0.79 -4.25 2.89 2.88 -1.26 0.22 113.62 113.17 1wwd n SER 19 Ca 0.08 -1.05 -0.34 0.00 -1.33 0.00 0.00 58.87 56.23 1wwd n SER 19 Cb 0.82 -2.76 -0.05 0.00 -0.75 0.00 0.00 64.21 61.47 1wwd n SER 19 CO 0.00 0.00 0.00 1.67 -1.23 0.00 0.00 175.04 175.48 1wwd n GLN 20 N -4.42 -2.30 -1.52 -1.46 7.27 -1.26 -4.61 117.38 109.08 1wwd n GLN 20 Ca -0.23 0.28 -0.30 0.00 0.07 0.00 0.00 57.00 56.83 1wwd n GLN 20 Cb 0.64 -4.63 -0.14 0.00 2.41 0.00 0.00 30.24 28.52 1wwd n GLN 20 CO 0.00 0.00 0.00 -0.11 0.07 0.00 0.00 177.06 177.02 1wwd n LEU 21 N -4.36 0.37 -4.74 1.69 0.00 0.13 -4.80 117.00 105.30 1wwd n LEU 21 Ca -0.07 -0.44 -0.42 0.00 0.00 0.00 0.00 56.01 55.08 1wwd n LEU 21 Cb 0.56 -1.05 -0.02 0.00 0.00 0.00 0.00 43.42 42.92 1wwd n LEU 21 CO 0.86 -1.41 1.26 0.47 0.00 0.00 0.00 177.39 178.57 1wwd n ASP 22 N 11.33 3.86 0.14 1.96 9.92 -1.26 -4.82 116.55 137.68 1wwd n ASP 22 Ca 0.58 1.13 0.10 0.00 -0.53 0.00 0.00 54.79 56.07 1wwd n ASP 22 Cb 0.22 -1.59 0.51 0.00 -0.64 0.00 0.00 41.12 39.62 1wwd n ASP 22 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 1wwd n ARG 23 N 2.42 0.12 -0.91 -1.24 5.12 -1.26 -0.28 116.66 120.63 1wwd n ARG 23 Ca 0.10 0.61 0.00 0.00 -1.93 0.00 0.00 57.85 56.63 1wwd n ARG 23 Cb 0.36 -1.90 0.17 0.00 -1.16 0.00 0.00 32.46 29.93 1wwd n ARG 23 CO 0.00 0.00 0.00 -0.40 -1.93 0.00 0.00 177.63 175.30 1wwd n ASP 24 N -2.15 2.32 -4.75 0.55 5.68 -1.26 -5.03 116.55 111.90 1wwd n ASP 24 Ca -0.01 -3.82 -0.32 0.00 -0.50 0.00 0.00 54.79 50.14 1wwd n ASP 24 Cb 0.03 -0.49 -0.08 0.00 -1.14 0.00 0.00 41.12 39.45 1wwd n ASP 24 CO 0.00 0.00 0.00 -1.10 -1.33 0.00 0.00 177.20 174.77 1wwd s GLN 25 N -3.23 2.17 -0.14 0.11 -0.21 0.61 -1.21 119.66 117.76 1wwd s GLN 25 Ca 0.40 -2.36 -0.03 0.00 0.02 0.00 0.00 55.36 53.39 1wwd s GLN 25 Cb 0.38 -1.56 -0.03 0.00 1.00 0.00 0.00 33.01 32.80 1wwd s GLN 25 CO -0.05 -0.34 -0.04 0.00 -2.12 0.00 0.00 175.29 172.74 1wwd n ALA 27 N 3.25 5.69 0.08 0.00 0.00 -1.26 -2.84 120.51 125.43 1wwd n ALA 27 Ca -0.18 -2.86 0.00 0.00 0.00 0.00 0.00 53.44 50.40 1wwd n ALA 27 Cb 0.53 -1.55 0.00 0.00 0.00 0.00 0.00 19.45 18.43 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 -0.85 -1.14 -0.01 0.00 9.36 -1.26 -4.89 117.16 118.38 1wwd n TYR 28 Ca 0.55 0.20 -0.03 0.00 3.32 0.00 0.00 57.90 61.94 1wwd n TYR 28 Cb 1.13 0.34 -0.12 0.00 -0.63 0.00 0.00 39.34 40.06 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 -2.84 0.00 -2.37 0.00 5.02 -1.13 -5.08 118.16 111.75 1wwd n LYS 30 Ca -0.16 0.05 -0.24 0.00 -2.02 0.00 0.00 58.31 55.94 1wwd n LYS 30 Cb 0.93 -1.17 0.07 0.00 -0.02 0.00 0.00 35.03 34.84 1wwd n LYS 30 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 1wwd s GLU 31 N -1.51 2.19 -0.13 1.97 -6.30 -1.25 -4.79 118.70 108.88 1wwd s GLU 31 Ca 0.00 -0.53 0.00 0.00 -2.50 0.00 0.00 54.97 51.95 1wwd s GLU 31 Cb 0.00 -2.28 0.02 0.00 0.00 0.00 0.00 34.13 31.87 1wwd s GLU 31 CO 0.00 -1.14 -0.12 -1.59 0.02 0.00 0.00 175.26 172.43 1wwd s LYS 32 N -5.10 2.06 0.00 4.30 -2.85 -1.26 0.56 119.74 117.44 1wwd s LYS 32 Ca 0.60 -0.47 0.00 0.00 -1.00 0.00 0.00 55.97 55.10 1wwd s LYS 32 Cb -0.10 -1.91 0.00 0.00 -2.06 0.00 0.00 37.83 33.76 1wwd s LYS 32 CO 0.43 -0.21 0.00 0.41 0.10 0.00 0.00 175.35 176.08 1wwd n GLY 33 N 4.71 3.71 3.84 0.59 0.00 -0.35 -5.00 105.19 112.69 1wwd n GLY 33 Ca -0.16 -0.70 -0.24 0.00 0.00 0.00 0.00 46.02 44.92 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 3.19 0.30 1.61 -3.43 -1.26 -4.90 115.29 110.80 1wwd s HIS 34 Ca 0.00 -0.04 0.01 0.00 -0.80 0.00 0.00 55.06 54.22 1wwd s HIS 34 Cb 0.00 -1.49 -0.04 0.00 -1.43 0.00 0.00 32.58 29.63 1wwd s HIS 34 CO 0.00 0.51 0.49 -1.58 -2.00 0.00 0.00 174.74 172.16 1wwd s TRP 35 N -1.93 3.49 0.38 0.38 0.52 -1.26 -3.16 118.94 117.36 1wwd s TRP 35 Ca 0.32 0.30 0.07 0.00 0.02 0.00 0.00 56.10 56.81 1wwd s TRP 35 Cb -0.09 -1.84 0.79 0.00 -1.15 0.00 0.00 33.47 31.17 1wwd s TRP 35 CO 0.25 0.22 1.99 0.00 0.02 0.00 0.00 176.95 179.44 1wwd h ALA 36 N 1.10 1.72 0.00 0.98 0.00 -1.91 0.49 119.26 121.64 1wwd h ALA 36 Ca -0.50 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.39 1wwd h ALA 36 Cb 1.21 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.82 1wwd h ALA 36 CO 0.63 0.20 0.00 1.63 0.00 0.00 0.00 179.25 181.71 1wwd n LYS 37 N -4.47 0.10 -2.05 0.00 4.01 -1.26 -1.21 118.16 113.27 1wwd n LYS 37 Ca 0.08 0.53 -0.02 0.00 -0.51 0.00 0.00 58.31 58.39 1wwd n LYS 37 Cb 0.17 -1.78 0.05 0.00 -0.51 0.00 0.00 35.03 32.97 1wwd n LYS 37 CO 0.00 0.00 0.00 -3.47 -1.11 0.00 0.00 177.40 172.82 1wwd n ASP 38 N -1.98 1.97 -4.72 4.39 -0.08 0.16 -5.08 116.55 111.21 1wwd n ASP 38 Ca -0.00 -2.51 -0.42 0.00 -1.51 0.00 0.00 54.79 50.35 1wwd n ASP 38 Cb 0.07 -0.41 -0.03 0.00 2.34 0.00 0.00 41.12 43.08 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 3.36 0.75 0.02 0.00 -0.04 -1.26 -2.02 135.00 135.80 1wwd n PRO 40 Ca 0.07 0.00 0.11 0.00 -0.04 0.00 0.00 63.50 63.64 1wwd n PRO 40 Cb 0.46 -1.45 -0.12 0.00 -0.04 0.00 0.00 33.50 32.35 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 -0.95 0.60 -1.47 0.54 4.81 -1.26 -4.91 118.16 115.51 1wwd n LYS 41 Ca 0.16 -0.11 -0.40 0.00 -0.87 0.00 0.00 58.31 57.09 1wwd n LYS 41 Cb 0.07 -1.59 -0.15 0.00 0.02 0.00 0.00 35.03 33.39 1wwd n LYS 41 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 1wwd n LYS 42 N -2.31 0.00 -1.94 1.64 5.02 -0.86 -4.83 118.16 114.88 1wwd n LYS 42 Ca -0.03 0.00 -0.32 0.00 -2.02 0.00 0.00 58.31 55.94 1wwd n LYS 42 Cb 0.55 -1.47 0.02 0.00 -0.02 0.00 0.00 35.03 34.10 1wwd n LYS 42 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1wwd s PRO 43 N 8.85 3.26 -0.98 1.97 0.04 -1.26 -4.99 135.00 141.90 1wwd s PRO 43 Ca 1.34 1.11 -0.13 0.00 0.04 0.00 0.00 61.00 63.35 1wwd s PRO 43 Cb -1.24 -2.03 0.21 0.00 0.04 0.00 0.00 34.50 31.49 1wwd s PRO 43 CO 0.48 -0.85 1.02 1.03 0.04 0.00 0.00 177.00 178.72 1wwd s ARG 44 N -4.37 3.84 0.38 4.56 0.52 -1.26 -4.97 118.95 117.65 1wwd s ARG 44 Ca 0.61 -2.57 0.00 0.00 -0.52 0.00 0.00 55.73 53.25 1wwd s ARG 44 Cb -0.15 -4.63 0.00 0.00 0.52 0.00 0.00 34.95 30.69 1wwd s ARG 44 CO 0.42 -1.42 0.00 0.41 0.02 0.00 0.00 175.30 174.72 1wwd n GLY 45 N 3.90 -2.10 3.77 -3.53 0.00 -1.26 -4.93 105.19 101.04 1wwd n GLY 45 Ca 0.21 -1.07 -0.38 0.00 0.00 0.00 0.00 46.02 44.79 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 -2.62 4.37 0.14 1.61 0.04 -1.26 -5.06 135.00 132.22 1wwd s PRO 46 Ca 0.00 1.63 0.00 0.00 0.04 0.00 0.00 61.00 62.67 1wwd s PRO 46 Cb 0.00 -2.82 0.00 0.00 0.04 0.00 0.00 34.50 31.72 1wwd s PRO 46 CO 0.00 0.02 0.00 -2.13 0.04 0.00 0.00 177.00 174.93 1wwd n ARG 47 N 0.48 -1.20 0.00 4.56 3.00 -1.26 -5.12 116.66 117.11 1wwd n ARG 47 Ca 0.02 0.89 0.00 0.00 -0.00 0.00 0.00 57.85 58.77 1wwd n ARG 47 Cb 0.48 -1.01 0.00 0.00 0.00 0.00 0.00 32.46 31.93 1wwd n ARG 47 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1wwd n GLY 48 N -0.92 -0.94 3.57 5.14 0.00 -1.26 -4.96 105.19 105.82 1wwd n GLY 48 Ca 0.00 -0.10 -0.35 0.00 0.00 0.00 0.00 46.02 45.57 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 -0.05 3.17 -0.33 1.61 0.04 -1.26 -4.30 135.00 133.88 1wwd s PRO 49 Ca 0.00 -1.15 -0.05 0.00 0.04 0.00 0.00 61.00 59.84 1wwd s PRO 49 Cb 0.00 -5.30 0.01 0.00 0.04 0.00 0.00 34.50 29.24 1wwd s PRO 49 CO 0.00 -2.95 0.17 0.54 0.04 0.00 0.00 177.00 174.80 1wwd n ARG 50 N 8.61 -3.10 0.08 4.56 5.12 -1.26 -4.98 116.66 125.68 1wwd n ARG 50 Ca 0.42 2.55 -0.06 0.00 -1.93 0.00 0.00 57.85 58.82 1wwd n ARG 50 Cb 0.48 -5.36 -0.04 0.00 -1.16 0.00 0.00 32.46 26.38 1wwd n ARG 50 CO 0.00 0.00 0.00 -1.00 -1.93 0.00 0.00 177.63 174.70 1wwd h PRO 51 N 2.67 -0.28 -5.17 5.56 0.13 -1.96 -3.49 132.00 129.45 1wwd h PRO 51 Ca 0.00 0.02 -0.04 0.00 -0.87 0.00 0.00 66.00 65.11 1wwd h PRO 51 Cb 0.28 0.06 0.03 0.00 0.13 0.00 0.00 31.00 31.51 1wwd h PRO 51 CO 0.13 -0.08 -0.14 1.04 -0.23 0.00 0.00 178.00 178.71 1wwd n GLN 52 N -4.96 -1.35 -2.84 0.86 3.00 -1.26 -5.02 117.38 105.80 1wwd n GLN 52 Ca -0.05 1.30 -0.08 0.00 -0.01 0.00 0.00 57.00 58.16 1wwd n GLN 52 Cb 0.17 -5.40 0.00 0.00 0.00 0.00 0.00 30.24 25.01 1wwd n GLN 52 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.06 179.47 1wwd n THR 53 N -1.95 -0.16 -3.66 5.09 -1.04 -1.26 -5.11 114.28 106.19 1wwd n THR 53 Ca -0.01 -1.50 -0.06 0.00 -2.04 0.00 0.00 64.05 60.44 1wwd n THR 53 Cb 0.52 0.71 -0.08 0.00 -1.82 0.00 0.00 70.33 69.66 1wwd n THR 53 CO 0.00 0.00 0.00 -0.44 -0.64 0.00 0.00 175.07 173.99 1wwd s SER 54 N 0.11 -0.52 -0.80 8.00 0.01 -1.26 -5.07 113.70 114.16 1wwd s SER 54 Ca 0.31 1.17 0.02 0.00 1.31 0.00 0.00 55.95 58.76 1wwd s SER 54 Cb 0.06 1.64 0.29 0.00 0.21 0.00 0.00 66.02 68.22 1wwd s SER 54 CO -0.11 -0.23 1.10 0.18 0.41 0.00 0.00 173.24 174.58 1wwd n LEU 55 N 5.41 5.00 -0.26 2.44 4.32 -1.26 -5.30 117.00 127.35 1wwd n LEU 55 Ca -0.10 -5.41 0.03 0.00 -0.02 0.00 0.00 56.01 50.52 1wwd n LEU 55 Cb 0.49 -0.88 0.03 0.00 -1.62 0.00 0.00 43.42 41.44 1wwd n LEU 55 CO -0.01 1.99 0.35 -0.11 -1.22 0.00 0.00 177.39 178.39