#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 0.00 -2.45 0.00 -1.04 -1.26 -4.74 114.28 104.79 1wwd n THR 2 Ca 0.00 0.00 -0.02 0.00 -2.04 0.00 0.00 64.05 61.99 1wwd n THR 2 Cb 0.00 0.00 -0.01 0.00 -1.82 0.00 0.00 70.33 68.50 1wwd n THR 2 CO 0.00 0.00 0.00 0.52 -0.64 0.00 0.00 175.07 174.95 1wwd n VAL 3 N 0.00-10.45 -3.46 12.58 0.31 -1.26 -4.97 118.33 111.08 1wwd n VAL 3 Ca 0.00 1.75 -0.38 0.00 -0.01 0.00 0.00 64.34 65.71 1wwd n VAL 3 Cb 0.00 -6.26 -0.08 0.00 -0.91 0.00 0.00 33.84 26.59 1wwd n VAL 3 CO 0.00 0.00 0.00 0.68 -1.32 0.00 0.00 176.83 176.19 1wwd s VAL 4 N -1.07 5.24 -0.15 2.52 -7.23 -1.26 -5.04 120.40 113.41 1wwd s VAL 4 Ca -0.08 0.58 -0.31 0.00 -1.81 0.00 0.00 61.98 60.36 1wwd s VAL 4 Cb 0.01 -3.67 0.13 0.00 0.56 0.00 0.00 36.38 33.41 1wwd s VAL 4 CO 0.64 0.28 1.10 -0.94 -0.31 0.00 0.00 175.10 175.86 1wwd s SER 5 N 1.02 -0.24 0.00 4.85 1.04 -1.26 -5.19 113.70 113.92 1wwd s SER 5 Ca 0.16 0.13 0.00 0.00 0.48 0.00 0.00 55.95 56.72 1wwd s SER 5 Cb -0.14 0.23 0.00 0.00 0.10 0.00 0.00 66.02 66.20 1wwd s SER 5 CO 0.07 -0.32 0.00 0.61 0.98 0.00 0.00 173.24 174.58 1wwd n GLY 6 N 0.21 3.94 3.64 7.32 0.00 -1.26 -5.19 105.19 113.86 1wwd n GLY 6 Ca -0.05 -0.83 -0.06 0.00 0.00 0.00 0.00 46.02 45.08 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 1.54 0.27 -0.05 1.61 0.74 -1.26 -5.16 119.66 117.35 1wwd s GLN 7 Ca 0.00 0.31 -0.14 0.00 0.05 0.00 0.00 55.36 55.58 1wwd s GLN 7 Cb 0.00 0.13 -0.05 0.00 1.10 0.00 0.00 33.01 34.19 1wwd s GLN 7 CO 0.00 -0.04 0.38 0.21 -0.55 0.00 0.00 175.29 175.29 1wwd s LYS 8 N 0.08 4.00 -0.16 1.67 2.47 -1.26 -5.07 119.74 121.46 1wwd s LYS 8 Ca 0.05 0.32 -0.09 0.00 -1.56 0.00 0.00 55.97 54.70 1wwd s LYS 8 Cb -0.05 -3.28 -0.05 0.00 -1.46 0.00 0.00 37.83 32.99 1wwd s LYS 8 CO -0.11 0.54 0.14 -0.65 0.16 0.00 0.00 175.35 175.44 1wwd s GLN 9 N -0.56 3.81 0.38 4.03 1.11 -1.26 -4.96 119.66 122.21 1wwd s GLN 9 Ca 0.22 -0.16 0.00 0.00 0.01 0.00 0.00 55.36 55.43 1wwd s GLN 9 Cb -0.15 -3.30 0.00 0.00 -1.01 0.00 0.00 33.01 28.54 1wwd s GLN 9 CO 0.11 0.54 0.00 -0.25 0.01 0.00 0.00 175.29 175.70 1wwd n ASP 10 N 2.73 -7.01 -2.79 5.90 9.92 -1.26 -4.69 116.55 119.35 1wwd n ASP 10 Ca -0.18 0.80 -0.23 0.00 -0.53 0.00 0.00 54.79 54.65 1wwd n ASP 10 Cb 0.53 -3.76 -0.02 0.00 -0.64 0.00 0.00 41.12 37.24 1wwd n ASP 10 CO 0.00 0.00 0.00 -2.11 0.13 0.00 0.00 177.20 175.22 1wwd n ARG 11 N -3.93 2.64 0.00 -1.24 1.85 -1.26 -4.96 116.66 109.76 1wwd n ARG 11 Ca -0.03 -4.28 0.00 0.00 -1.00 0.00 0.00 57.85 52.54 1wwd n ARG 11 Cb 0.54 -2.02 0.00 0.00 -1.05 0.00 0.00 32.46 29.94 1wwd n ARG 11 CO 0.00 0.00 0.00 1.04 -0.01 0.00 0.00 177.63 178.66 1wwd n GLN 12 N -0.21 0.00 0.00 2.89 6.02 -1.26 -4.82 117.38 120.00 1wwd n GLN 12 Ca 0.30 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.29 1wwd n GLN 12 Cb 0.58 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.84 1wwd n GLN 12 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1wwd n GLY 13 N 0.00 1.36 0.00 1.08 0.00 -1.26 -4.97 105.19 101.40 1wwd n GLY 13 Ca 0.00 -0.50 0.00 0.00 0.00 0.00 0.00 46.02 45.52 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 2.77 0.39 -0.02 0.00 -1.26 -4.99 105.19 102.08 1wwd n GLY 14 Ca 0.00 -1.41 -0.17 0.00 0.00 0.00 0.00 46.02 44.44 1wwd n GLY 14 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1wwd h GLU 15 N 0.00 -0.80 0.00 1.61 5.08 -2.04 -3.45 114.58 114.98 1wwd h GLU 15 Ca 0.00 0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 1wwd h GLU 15 Cb 0.00 0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.43 1wwd h GLU 15 CO 0.00 -0.54 0.00 -2.13 -1.00 0.00 0.00 179.01 175.34 1wwd n ARG 16 N -5.48 0.00 0.01 2.33 3.00 -1.26 -3.49 116.66 111.77 1wwd n ARG 16 Ca -0.12 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.73 1wwd n ARG 16 Cb 0.38 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.84 1wwd n ARG 16 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 1wwd n ARG 17 N 0.00 0.00 -3.80 -0.14 5.12 -1.26 -5.07 116.66 111.52 1wwd n ARG 17 Ca 0.00 0.00 -0.25 0.00 -1.93 0.00 0.00 57.85 55.67 1wwd n ARG 17 Cb 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.30 1wwd n ARG 17 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 1wwd n ARG 18 N -2.67 -1.55 -1.50 5.56 1.74 -1.23 -4.42 116.66 112.58 1wwd n ARG 18 Ca 0.00 0.76 -0.34 0.00 -0.77 0.00 0.00 57.85 57.50 1wwd n ARG 18 Cb 0.00 -2.25 -0.17 0.00 -1.02 0.00 0.00 32.46 29.02 1wwd n ARG 18 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 1wwd n SER 19 N -2.60 -0.13 -4.16 0.55 7.64 -1.26 -0.71 113.62 112.94 1wwd n SER 19 Ca -0.32 -0.11 -0.35 0.00 1.01 0.00 0.00 58.87 59.10 1wwd n SER 19 Cb 0.70 -0.85 -0.05 0.00 -1.01 0.00 0.00 64.21 63.00 1wwd n SER 19 CO 0.00 0.00 0.00 1.67 -3.01 0.00 0.00 175.04 173.70 1wwd n GLN 20 N 7.62 -0.67 -2.90 1.43 7.27 -1.26 -4.81 117.38 124.06 1wwd n GLN 20 Ca 0.65 0.06 -0.44 0.00 0.07 0.00 0.00 57.00 57.34 1wwd n GLN 20 Cb 0.09 -2.93 -0.03 0.00 2.41 0.00 0.00 30.24 29.78 1wwd n GLN 20 CO 0.00 0.00 0.00 -1.17 0.07 0.00 0.00 177.06 175.96 1wwd s LEU 21 N -7.23 4.84 0.55 1.69 0.20 0.11 -5.01 118.68 113.84 1wwd s LEU 21 Ca 0.18 -1.76 -0.20 0.00 0.69 0.00 0.00 54.13 53.04 1wwd s LEU 21 Cb -0.10 -2.41 -0.05 0.00 -0.43 0.00 0.00 46.19 43.20 1wwd s LEU 21 CO 0.93 -1.17 1.24 -0.62 -0.29 0.00 0.00 176.35 176.44 1wwd s ASP 22 N 3.71 5.41 0.00 3.68 3.68 -1.26 -4.86 116.67 127.03 1wwd s ASP 22 Ca 0.30 2.48 0.11 0.00 2.13 0.00 0.00 52.55 57.57 1wwd s ASP 22 Cb -0.08 -2.61 0.49 0.00 -1.45 0.00 0.00 42.92 39.27 1wwd s ASP 22 CO -0.05 -1.45 1.28 0.54 0.13 0.00 0.00 175.17 175.63 1wwd n ARG 23 N -1.19 0.08 -0.67 4.34 5.12 -1.26 -1.27 116.66 121.81 1wwd n ARG 23 Ca 0.11 0.25 0.06 0.00 -1.93 0.00 0.00 57.85 56.34 1wwd n ARG 23 Cb 0.48 -1.50 0.11 0.00 -1.16 0.00 0.00 32.46 30.39 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 -1.39 1.43 -4.30 0.55 5.75 -1.26 -5.01 116.55 112.32 1wwd n ASP 24 Ca 0.04 -2.96 -0.35 0.00 -0.01 0.00 0.00 54.79 51.51 1wwd n ASP 24 Cb 0.10 -0.40 -0.14 0.00 -1.03 0.00 0.00 41.12 39.65 1wwd n ASP 24 CO 0.00 0.00 0.00 -1.10 -0.11 0.00 0.00 177.20 175.99 1wwd s GLN 25 N -1.87 3.33 0.14 0.11 -1.52 -0.40 -1.35 119.66 118.11 1wwd s GLN 25 Ca 0.30 -0.65 -0.34 0.00 -1.95 0.00 0.00 55.36 52.72 1wwd s GLN 25 Cb 0.29 -2.99 -0.13 0.00 -0.22 0.00 0.00 33.01 29.96 1wwd s GLN 25 CO -0.06 -0.21 1.62 0.00 -0.25 0.00 0.00 175.29 176.39 1wwd n ALA 27 N 3.79 6.00 0.01 0.00 0.00 -1.26 -2.51 120.51 126.54 1wwd n ALA 27 Ca 0.17 -3.20 0.00 0.00 0.00 0.00 0.00 53.44 50.41 1wwd n ALA 27 Cb 0.29 -1.63 0.00 0.00 0.00 0.00 0.00 19.45 18.12 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 -1.02 -0.19 -0.01 0.00 9.36 -1.26 -4.88 117.16 119.16 1wwd n TYR 28 Ca 0.61 0.03 0.03 0.00 3.32 0.00 0.00 57.90 61.90 1wwd n TYR 28 Cb 1.12 0.24 -0.09 0.00 -0.63 0.00 0.00 39.34 39.98 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 -1.99 0.00 -3.47 0.00 5.02 -1.05 -5.05 118.16 111.62 1wwd n LYS 30 Ca -0.05 0.09 -0.39 0.00 -2.02 0.00 0.00 58.31 55.94 1wwd n LYS 30 Cb 0.40 -1.83 -0.10 0.00 -0.02 0.00 0.00 35.03 33.48 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 -1.95 3.99 -0.02 1.97 0.41 -1.25 -4.79 118.70 117.06 1wwd s GLU 31 Ca 0.00 -0.11 -0.30 0.00 -0.41 0.00 0.00 54.97 54.15 1wwd s GLU 31 Cb 0.00 -3.66 -0.03 0.00 -1.78 0.00 0.00 34.13 28.67 1wwd s GLU 31 CO 0.00 -0.23 0.98 -1.59 -0.49 0.00 0.00 175.26 173.93 1wwd s LYS 32 N 1.93 4.54 0.00 1.61 0.00 -1.26 -1.24 119.74 125.32 1wwd s LYS 32 Ca 0.12 1.42 0.00 0.00 0.00 0.00 0.00 55.97 57.50 1wwd s LYS 32 Cb -0.16 -3.47 0.00 0.00 0.00 0.00 0.00 37.83 34.20 1wwd s LYS 32 CO 0.10 -0.09 0.00 0.41 0.00 0.00 0.00 175.35 175.77 1wwd n GLY 33 N 2.93 3.98 3.60 0.59 0.00 -0.45 -4.95 105.19 110.89 1wwd n GLY 33 Ca 0.06 -0.75 -0.26 0.00 0.00 0.00 0.00 46.02 45.08 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 2.67 0.46 1.61 -3.43 -1.25 -5.00 115.29 110.35 1wwd s HIS 34 Ca 0.00 -0.21 -0.05 0.00 -0.80 0.00 0.00 55.06 54.00 1wwd s HIS 34 Cb 0.00 -1.27 -0.04 0.00 -1.43 0.00 0.00 32.58 29.84 1wwd s HIS 34 CO 0.00 0.54 0.75 -1.58 -2.00 0.00 0.00 174.74 172.45 1wwd s TRP 35 N -1.86 3.55 0.41 0.38 0.52 -1.26 -2.58 118.94 118.10 1wwd s TRP 35 Ca 0.27 0.75 0.07 0.00 0.02 0.00 0.00 56.10 57.22 1wwd s TRP 35 Cb -0.08 -2.25 0.88 0.00 -1.15 0.00 0.00 33.47 30.87 1wwd s TRP 35 CO 0.17 -0.21 2.06 0.00 0.02 0.00 0.00 176.95 178.99 1wwd h ALA 36 N 0.37 1.72 0.00 0.98 0.00 -1.90 0.45 119.26 120.87 1wwd h ALA 36 Ca -0.47 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1wwd h ALA 36 Cb 1.21 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.84 1wwd h ALA 36 CO 0.62 0.26 0.00 1.63 0.00 0.00 0.00 179.25 181.76 1wwd n LYS 37 N -4.47 0.02 -0.33 0.00 4.01 -1.26 -1.37 118.16 114.75 1wwd n LYS 37 Ca 0.03 0.28 0.06 0.00 -0.51 0.00 0.00 58.31 58.17 1wwd n LYS 37 Cb 0.06 -1.50 0.09 0.00 -0.51 0.00 0.00 35.03 33.18 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 -1.47 1.45 -4.73 4.39 -0.08 0.14 -5.06 116.55 111.20 1wwd n ASP 38 Ca 0.03 -2.75 -0.42 0.00 -1.51 0.00 0.00 54.79 50.15 1wwd n ASP 38 Cb 0.14 -0.36 -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 3.39 0.75 0.03 0.00 -0.04 -1.26 -2.03 135.00 135.84 1wwd n PRO 40 Ca 0.10 0.00 0.11 0.00 -0.04 0.00 0.00 63.50 63.67 1wwd n PRO 40 Cb 0.42 -1.48 -0.11 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 0.60 -1.82 0.54 4.81 -1.26 -4.88 118.16 115.17 1wwd n LYS 41 Ca 0.17 -0.09 -0.43 0.00 -0.87 0.00 0.00 58.31 57.10 1wwd n LYS 41 Cb 0.08 -1.61 -0.03 0.00 0.02 0.00 0.00 35.03 33.49 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 -3.44 3.44 -1.20 1.64 1.02 -0.86 -4.84 119.74 115.51 1wwd s LYS 42 Ca -0.05 1.87 -0.07 0.00 0.02 0.00 0.00 55.97 57.74 1wwd s LYS 42 Cb 0.13 -4.23 -0.07 0.00 -0.52 0.00 0.00 37.83 33.13 1wwd s LYS 42 CO 0.87 -1.74 2.48 -0.35 -0.92 0.00 0.00 175.35 175.69 1wwd n PRO 43 N 8.30 2.75 -3.79 -1.68 -0.04 -1.26 -4.77 135.00 134.52 1wwd n PRO 43 Ca 0.25 -1.75 -0.13 0.00 -0.04 0.00 0.00 63.50 61.83 1wwd n PRO 43 Cb 0.45 -2.59 -0.12 0.00 -0.04 0.00 0.00 33.50 31.20 1wwd n PRO 43 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1wwd s ARG 44 N 2.85 0.22 0.00 0.54 0.52 -1.26 -5.13 118.95 116.69 1wwd s ARG 44 Ca 0.52 0.33 0.00 0.00 -0.52 0.00 0.00 55.73 56.06 1wwd s ARG 44 Cb 0.14 0.05 0.00 0.00 0.52 0.00 0.00 34.95 35.66 1wwd s ARG 44 CO -0.04 -0.06 0.00 0.41 0.02 0.00 0.00 175.30 175.62 1wwd n GLY 45 N 3.29 -2.20 0.00 -3.53 0.00 -1.26 -4.86 105.19 96.62 1wwd n GLY 45 Ca -0.16 -2.19 0.12 0.00 0.00 0.00 0.00 46.02 43.79 1wwd n GLY 45 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1wwd n PRO 46 N -0.31 0.75 -1.86 1.61 -0.04 -1.26 -4.97 135.00 128.91 1wwd n PRO 46 Ca 0.00 0.00 -0.22 0.00 -0.04 0.00 0.00 63.50 63.24 1wwd n PRO 46 Cb 0.00 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 31.89 1wwd n PRO 46 CO 0.00 0.00 0.00 0.50 -0.04 0.00 0.00 175.50 175.96 1wwd s ARG 47 N -2.00 2.05 -0.32 0.54 6.06 -1.26 -4.76 118.95 119.26 1wwd s ARG 47 Ca 0.36 -0.38 0.05 0.00 -2.50 0.00 0.00 55.73 53.25 1wwd s ARG 47 Cb 0.16 -5.03 0.18 0.00 0.06 0.00 0.00 34.95 30.32 1wwd s ARG 47 CO 0.28 -4.21 0.52 0.20 -2.50 0.00 0.00 175.30 169.58 1wwd s GLY 48 N 8.36 -0.92 0.63 8.12 0.00 -1.26 -5.11 107.32 117.13 1wwd s GLY 48 Ca 0.77 0.44 -0.14 0.00 0.00 0.00 0.00 44.72 45.79 1wwd s GLY 48 CO 0.09 3.38 1.05 2.56 0.00 0.00 0.00 173.10 180.18 1wwd s PRO 49 N 2.43 3.21 -0.01 2.90 0.04 -1.26 -5.08 135.00 137.22 1wwd s PRO 49 Ca 0.12 1.08 -0.09 0.00 0.04 0.00 0.00 61.00 62.14 1wwd s PRO 49 Cb -0.10 -2.02 0.01 0.00 0.04 0.00 0.00 34.50 32.43 1wwd s PRO 49 CO -0.22 -0.89 0.19 1.03 0.04 0.00 0.00 177.00 177.16 1wwd s ARG 50 N -4.49 0.51 -0.48 4.56 1.81 -1.26 -5.11 118.95 114.48 1wwd s ARG 50 Ca 0.61 -0.26 -0.28 0.00 -1.72 0.00 0.00 55.73 54.08 1wwd s ARG 50 Cb -0.15 0.22 0.01 0.00 -0.45 0.00 0.00 34.95 34.58 1wwd s ARG 50 CO 0.44 -0.12 1.45 -1.25 -0.68 0.00 0.00 175.30 175.14 1wwd s PRO 51 N -1.19 3.40 0.50 3.54 0.04 -1.26 -4.98 135.00 135.04 1wwd s PRO 51 Ca -0.13 0.74 -0.22 0.00 0.04 0.00 0.00 61.00 61.43 1wwd s PRO 51 Cb -0.06 -4.09 -0.06 0.00 0.04 0.00 0.00 34.50 30.32 1wwd s PRO 51 CO 0.02 -1.79 1.23 -1.14 0.04 0.00 0.00 177.00 175.36 1wwd s GLN 52 N 5.31 3.51 0.33 4.56 0.74 -1.26 -5.04 119.66 127.81 1wwd s GLN 52 Ca 0.59 1.93 0.08 0.00 0.05 0.00 0.00 55.36 58.01 1wwd s GLN 52 Cb -0.13 -2.33 -0.06 0.00 1.10 0.00 0.00 33.01 31.59 1wwd s GLN 52 CO 0.29 -0.80 -0.08 0.95 -0.55 0.00 0.00 175.29 175.10 1wwd s THR 53 N -1.47 2.04 0.30 -0.34 -4.23 -1.26 -5.06 115.64 105.63 1wwd s THR 53 Ca 0.67 -2.17 0.00 0.00 -1.18 0.00 0.00 61.69 59.01 1wwd s THR 53 Cb -0.33 -2.62 0.00 0.00 1.34 0.00 0.00 72.50 70.90 1wwd s THR 53 CO 0.39 -0.21 0.00 -1.54 -0.54 0.00 0.00 174.62 172.72 1wwd n SER 54 N -0.75 -1.07 -0.03 3.99 3.41 -1.26 -4.99 113.62 112.94 1wwd n SER 54 Ca -0.05 0.54 -0.04 0.00 -0.26 0.00 0.00 58.87 59.06 1wwd n SER 54 Cb 0.64 1.17 -0.03 0.00 -0.26 0.00 0.00 64.21 65.73 1wwd n SER 54 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1wwd n LEU 55 N -3.37 2.66 0.00 1.04 -0.00 -1.26 -5.39 117.00 110.68 1wwd n LEU 55 Ca 0.00 -0.03 0.00 0.00 -0.00 0.00 0.00 56.01 55.98 1wwd n LEU 55 Cb 0.00 -0.16 0.00 0.00 -0.00 0.00 0.00 43.42 43.26 1wwd n LEU 55 CO 0.00 0.54 0.00 -0.11 -0.00 0.00 0.00 177.39 177.82