#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 -0.13 -0.47 0.00 -1.32 -1.26 -5.10 115.64 107.36 1wwd s THR 2 Ca 0.00 0.17 0.03 0.00 -1.21 0.00 0.00 61.69 60.68 1wwd s THR 2 Cb 0.00 -0.44 0.13 0.00 -1.51 0.00 0.00 72.50 70.68 1wwd s THR 2 CO 0.00 0.07 0.23 0.68 -2.21 0.00 0.00 174.62 173.39 1wwd s VAL 3 N 1.54 2.08 -0.30 5.08 -7.23 -1.26 -5.03 120.40 115.28 1wwd s VAL 3 Ca -0.07 -2.89 -0.15 0.00 -1.81 0.00 0.00 61.98 57.05 1wwd s VAL 3 Cb -0.10 -2.46 0.16 0.00 0.56 0.00 0.00 36.38 34.54 1wwd s VAL 3 CO -0.09 -0.81 0.99 0.54 -0.31 0.00 0.00 175.10 175.42 1wwd s VAL 4 N 0.11 -0.43 -0.15 1.32 0.11 -1.26 -5.18 120.40 114.92 1wwd s VAL 4 Ca 0.16 0.00 -0.34 0.00 -2.93 0.00 0.00 61.98 58.87 1wwd s VAL 4 Cb -0.25 -1.00 0.13 0.00 -1.53 0.00 0.00 36.38 33.74 1wwd s VAL 4 CO -0.02 0.00 1.22 -0.94 -3.33 0.00 0.00 175.10 172.03 1wwd s SER 5 N 2.29 -0.12 -0.10 3.54 1.04 -1.26 -5.16 113.70 113.93 1wwd s SER 5 Ca -0.03 -0.03 -0.00 0.00 0.48 0.00 0.00 55.95 56.36 1wwd s SER 5 Cb -0.06 0.15 0.02 0.00 0.10 0.00 0.00 66.02 66.24 1wwd s SER 5 CO -0.17 -0.25 -0.06 -0.83 0.98 0.00 0.00 173.24 172.90 1wwd s GLY 6 N -2.34 0.73 -0.33 7.32 0.00 -1.26 -5.08 107.32 106.35 1wwd s GLY 6 Ca 0.10 -0.41 0.04 0.00 0.00 0.00 0.00 44.72 44.45 1wwd s GLY 6 CO -0.04 0.78 0.48 1.62 0.00 0.00 0.00 173.10 175.93 1wwd s GLN 7 N 1.60 0.57 -0.14 2.90 2.00 -1.26 -5.14 119.66 120.19 1wwd s GLN 7 Ca 0.02 -0.08 -0.29 0.00 -2.00 0.00 0.00 55.36 53.01 1wwd s GLN 7 Cb -0.13 -0.21 0.07 0.00 0.80 0.00 0.00 33.01 33.54 1wwd s GLN 7 CO -0.06 -1.10 0.72 0.15 -0.50 0.00 0.00 175.29 174.50 1wwd s LYS 8 N 2.23 0.94 -0.28 1.67 1.02 -1.26 -5.14 119.74 118.93 1wwd s LYS 8 Ca 0.12 0.55 -0.01 0.00 0.02 0.00 0.00 55.97 56.65 1wwd s LYS 8 Cb -0.11 0.45 0.09 0.00 -0.52 0.00 0.00 37.83 37.74 1wwd s LYS 8 CO -0.19 -0.23 0.07 -0.65 -0.92 0.00 0.00 175.35 173.43 1wwd s GLN 9 N -0.55 0.73 -0.25 1.68 -0.21 -1.26 -5.10 119.66 114.70 1wwd s GLN 9 Ca -0.06 -0.88 -0.19 0.00 0.02 0.00 0.00 55.36 54.25 1wwd s GLN 9 Cb -0.02 -2.01 0.07 0.00 1.00 0.00 0.00 33.01 32.05 1wwd s GLN 9 CO 0.06 -0.88 0.64 0.16 -2.12 0.00 0.00 175.29 173.15 1wwd s ASP 10 N 1.69 -0.76 -0.14 5.90 1.47 -1.26 -5.17 116.67 118.40 1wwd s ASP 10 Ca 0.06 1.34 -0.23 0.00 1.18 0.00 0.00 52.55 54.91 1wwd s ASP 10 Cb -0.17 1.29 0.06 0.00 -0.34 0.00 0.00 42.92 43.75 1wwd s ASP 10 CO -0.20 -0.23 0.57 -0.60 0.68 0.00 0.00 175.17 175.39 1wwd s ARG 11 N 0.94 0.79 0.30 2.11 6.06 -1.26 -5.18 118.95 122.71 1wwd s ARG 11 Ca -0.05 0.50 0.08 0.00 -2.50 0.00 0.00 55.73 53.76 1wwd s ARG 11 Cb -0.05 0.38 -0.06 0.00 0.06 0.00 0.00 34.95 35.28 1wwd s ARG 11 CO -0.08 -0.17 -0.08 -0.65 -2.50 0.00 0.00 175.30 171.82 1wwd s GLN 12 N -0.38 1.63 0.00 5.12 -0.21 -1.26 -5.07 119.66 119.50 1wwd s GLN 12 Ca -0.05 -1.83 0.00 0.00 0.02 0.00 0.00 55.36 53.50 1wwd s GLN 12 Cb -0.03 -1.34 0.00 0.00 1.00 0.00 0.00 33.01 32.63 1wwd s GLN 12 CO 0.04 0.08 0.00 0.41 -2.12 0.00 0.00 175.29 173.70 1wwd n GLY 13 N -0.65 -1.12 3.79 3.09 0.00 -1.26 -5.01 105.19 104.03 1wwd n GLY 13 Ca -0.05 -1.20 -0.34 0.00 0.00 0.00 0.00 46.02 44.43 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 -0.74 2.41 -0.30 -0.02 0.00 -1.26 -5.05 107.32 102.37 1wwd s GLY 14 Ca 0.00 0.61 -0.17 0.00 0.00 0.00 0.00 44.72 45.16 1wwd s GLY 14 CO 0.00 0.94 1.24 1.85 0.00 0.00 0.00 173.10 177.13 1wwd s GLU 15 N -3.54 0.07 0.00 2.90 2.12 -1.26 -4.89 118.70 114.11 1wwd s GLU 15 Ca 0.68 0.14 -0.16 0.00 0.36 0.00 0.00 54.97 55.99 1wwd s GLU 15 Cb -0.19 0.04 -0.09 0.00 0.26 0.00 0.00 34.13 34.16 1wwd s GLU 15 CO 0.28 -0.02 0.88 -0.09 -0.54 0.00 0.00 175.26 175.77 1wwd h ARG 16 N 5.91 -0.55 0.00 4.30 9.65 -1.97 -3.46 114.38 128.26 1wwd h ARG 16 Ca -0.22 0.04 -0.06 0.00 -1.10 0.00 0.00 59.98 58.64 1wwd h ARG 16 Cb 1.15 0.12 -0.08 0.00 -1.39 0.00 0.00 29.97 29.77 1wwd h ARG 16 CO 0.17 -0.37 0.27 -2.13 2.80 0.00 0.00 179.97 180.71 1wwd n ARG 17 N -4.18 0.00 -2.65 0.20 3.00 -1.26 -5.04 116.66 106.73 1wwd n ARG 17 Ca -0.07 -0.50 -0.03 0.00 -0.00 0.00 0.00 57.85 57.25 1wwd n ARG 17 Cb 0.22 -0.00 0.04 0.00 0.00 0.00 0.00 32.46 32.72 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 -0.33 0.01 0.00 -0.14 1.85 -1.26 -5.13 116.66 111.66 1wwd n ARG 18 Ca -0.28 -0.51 0.00 0.00 -1.00 0.00 0.00 57.85 56.06 1wwd n ARG 18 Cb 0.64 -0.00 0.00 0.00 -1.05 0.00 0.00 32.46 32.05 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 -0.03 0.00 -1.70 2.89 2.88 -1.26 -1.29 113.62 115.11 1wwd n SER 19 Ca -0.20 0.00 -0.14 0.00 -1.33 0.00 0.00 58.87 57.20 1wwd n SER 19 Cb 0.69 0.00 0.09 0.00 -0.75 0.00 0.00 64.21 64.24 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 1.71 -1.54 -1.46 1.13 -1.26 -4.69 117.38 111.27 1wwd n GLN 20 Ca 0.00 -1.67 -0.14 0.00 -1.94 0.00 0.00 57.00 53.25 1wwd n GLN 20 Cb 0.00 -1.66 -0.10 0.00 0.11 0.00 0.00 30.24 28.60 1wwd n GLN 20 CO 0.00 0.00 0.00 -0.11 -1.44 0.00 0.00 177.06 175.51 1wwd n LEU 21 N -0.36 1.24 -4.73 1.08 0.00 -0.41 -4.88 117.00 108.94 1wwd n LEU 21 Ca 0.33 -1.55 -0.32 0.00 0.00 0.00 0.00 56.01 54.48 1wwd n LEU 21 Cb 1.10 -1.52 0.11 0.00 0.00 0.00 0.00 43.42 43.12 1wwd n LEU 21 CO 0.35 -2.65 0.71 -1.81 0.00 0.00 0.00 177.39 173.98 1wwd s ASP 22 N 8.94 4.00 0.00 1.96 -0.00 -1.26 -4.86 116.67 125.44 1wwd s ASP 22 Ca 0.93 2.04 0.09 0.00 -0.00 0.00 0.00 52.55 55.62 1wwd s ASP 22 Cb -0.20 -2.55 0.41 0.00 -0.00 0.00 0.00 42.92 40.58 1wwd s ASP 22 CO 0.15 -2.38 1.25 -1.14 -0.00 0.00 0.00 175.17 173.06 1wwd n ARG 23 N -3.52 0.04 -0.91 8.23 3.00 -1.26 -1.30 116.66 120.95 1wwd n ARG 23 Ca 0.11 0.30 0.05 0.00 -0.00 0.00 0.00 57.85 58.30 1wwd n ARG 23 Cb 0.52 -1.50 0.10 0.00 0.00 0.00 0.00 32.46 31.59 1wwd n ARG 23 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.63 174.16 1wwd n ASP 24 N -1.43 1.31 -4.22 6.15 2.03 -1.26 -5.03 116.55 114.10 1wwd n ASP 24 Ca 0.03 -2.86 -0.33 0.00 0.52 0.00 0.00 54.79 52.15 1wwd n ASP 24 Cb 0.09 -0.39 -0.16 0.00 -0.72 0.00 0.00 41.12 39.95 1wwd n ASP 24 CO 0.00 0.00 0.00 -1.58 -1.92 0.00 0.00 177.20 173.70 1wwd s GLN 25 N -1.55 3.13 0.22 -0.67 0.74 -0.42 -1.51 119.66 119.60 1wwd s GLN 25 Ca 0.32 -0.79 -0.32 0.00 0.05 0.00 0.00 55.36 54.62 1wwd s GLN 25 Cb 0.33 -2.57 -0.12 0.00 1.10 0.00 0.00 33.01 31.75 1wwd s GLN 25 CO -0.09 -0.02 1.70 0.00 -0.55 0.00 0.00 175.29 176.32 1wwd n ALA 27 N 3.63 5.91 0.08 0.00 0.00 -1.26 -2.75 120.51 126.12 1wwd n ALA 27 Ca 0.15 -3.12 0.00 0.00 0.00 0.00 0.00 53.44 50.47 1wwd n ALA 27 Cb 0.35 -1.59 0.00 0.00 0.00 0.00 0.00 19.45 18.21 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 -1.00 -0.03 0.00 9.36 -1.26 -4.88 117.16 118.32 1wwd n TYR 28 Ca 0.61 0.18 0.06 0.00 3.32 0.00 0.00 57.90 62.06 1wwd n TYR 28 Cb 1.22 0.27 -0.16 0.00 -0.63 0.00 0.00 39.34 40.04 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 -2.33 0.00 -3.60 0.00 5.02 -1.11 -5.06 118.16 111.08 1wwd n LYS 30 Ca -0.10 0.10 -0.36 0.00 -2.02 0.00 0.00 58.31 55.93 1wwd n LYS 30 Cb 0.67 -1.82 -0.08 0.00 -0.02 0.00 0.00 35.03 33.78 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 -1.86 4.21 -0.04 1.97 0.41 -1.25 -4.78 118.70 117.36 1wwd s GLU 31 Ca 0.00 -0.04 -0.22 0.00 -0.41 0.00 0.00 54.97 54.30 1wwd s GLU 31 Cb 0.00 -3.44 -0.04 0.00 -1.78 0.00 0.00 34.13 28.86 1wwd s GLU 31 CO 0.00 0.22 0.65 0.21 -0.49 0.00 0.00 175.26 175.85 1wwd s LYS 32 N 0.56 4.40 0.00 1.61 2.20 -1.26 -0.15 119.74 127.09 1wwd s LYS 32 Ca 0.13 0.80 0.00 0.00 -0.36 0.00 0.00 55.97 56.54 1wwd s LYS 32 Cb -0.12 -3.41 0.00 0.00 -1.51 0.00 0.00 37.83 32.79 1wwd s LYS 32 CO 0.02 0.19 0.00 0.41 -0.36 0.00 0.00 175.35 175.61 1wwd n GLY 33 N 2.87 4.14 3.47 5.54 0.00 -0.57 -4.95 105.19 115.70 1wwd n GLY 33 Ca -0.04 -0.88 -0.25 0.00 0.00 0.00 0.00 46.02 44.86 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 2.33 0.41 1.61 -3.43 -1.26 -5.01 115.29 109.95 1wwd s HIS 34 Ca 0.00 -0.33 -0.01 0.00 -0.80 0.00 0.00 55.06 53.92 1wwd s HIS 34 Cb 0.00 -1.05 -0.03 0.00 -1.43 0.00 0.00 32.58 30.07 1wwd s HIS 34 CO 0.00 0.65 0.65 -1.58 -2.00 0.00 0.00 174.74 172.46 1wwd s TRP 35 N -2.26 3.46 0.34 0.38 0.52 -1.26 -2.54 118.94 117.58 1wwd s TRP 35 Ca 0.28 0.48 0.02 0.00 0.02 0.00 0.00 56.10 56.90 1wwd s TRP 35 Cb -0.06 -2.12 0.62 0.00 -1.15 0.00 0.00 33.47 30.76 1wwd s TRP 35 CO 0.14 -0.11 1.98 0.00 0.02 0.00 0.00 176.95 178.98 1wwd h ALA 36 N 0.50 1.57 0.00 0.98 0.00 -1.91 0.50 119.26 120.91 1wwd h ALA 36 Ca -0.48 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.39 1wwd h ALA 36 Cb 1.22 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.76 1wwd h ALA 36 CO 0.61 0.36 0.00 1.63 0.00 0.00 0.00 179.25 181.85 1wwd n LYS 37 N -4.45 0.04 -0.53 0.00 5.02 -1.26 -1.07 118.16 115.91 1wwd n LYS 37 Ca 0.09 0.39 0.06 0.00 -2.02 0.00 0.00 58.31 56.83 1wwd n LYS 37 Cb 0.11 -1.59 0.12 0.00 -0.02 0.00 0.00 35.03 33.64 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 -1.67 1.51 -4.72 4.39 -0.08 0.16 -5.05 116.55 111.08 1wwd n ASP 38 Ca 0.02 -2.96 -0.42 0.00 -1.51 0.00 0.00 54.79 49.92 1wwd n ASP 38 Cb 0.11 -0.40 -0.03 0.00 2.34 0.00 0.00 41.12 43.15 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 3.53 0.75 -0.29 0.00 -0.04 -1.26 -1.94 135.00 135.75 1wwd n PRO 40 Ca 0.09 0.00 0.07 0.00 -0.04 0.00 0.00 63.50 63.62 1wwd n PRO 40 Cb 0.44 -1.47 0.20 0.00 -0.04 0.00 0.00 33.50 32.63 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 -0.97 2.94 -2.31 0.54 4.81 -1.26 -5.01 118.16 116.90 1wwd n LYS 41 Ca 0.17 -2.36 -0.33 0.00 -0.87 0.00 0.00 58.31 54.92 1wwd n LYS 41 Cb 0.08 -1.50 -0.02 0.00 0.02 0.00 0.00 35.03 33.61 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 -1.67 3.69 0.82 1.64 -0.14 -0.82 -5.04 119.74 118.22 1wwd s LYS 42 Ca 0.31 1.14 -0.12 0.00 -1.36 0.00 0.00 55.97 55.94 1wwd s LYS 42 Cb 0.21 -2.09 0.09 0.00 -1.68 0.00 0.00 37.83 34.35 1wwd s LYS 42 CO 0.14 -0.50 1.11 -1.25 -0.76 0.00 0.00 175.35 174.08 1wwd s PRO 43 N -3.86 1.87 -0.25 -1.68 0.04 -1.26 -5.09 135.00 124.77 1wwd s PRO 43 Ca 0.62 0.55 -0.14 0.00 0.04 0.00 0.00 61.00 62.07 1wwd s PRO 43 Cb -0.13 -1.90 0.07 0.00 0.04 0.00 0.00 34.50 32.58 1wwd s PRO 43 CO 0.30 -1.75 0.62 1.03 0.04 0.00 0.00 177.00 177.24 1wwd s ARG 44 N -5.19 0.63 0.00 4.56 0.52 -1.26 -5.15 118.95 113.06 1wwd s ARG 44 Ca 0.61 1.12 0.00 0.00 -0.52 0.00 0.00 55.73 56.94 1wwd s ARG 44 Cb -0.14 0.10 0.00 0.00 0.52 0.00 0.00 34.95 35.43 1wwd s ARG 44 CO 0.54 -0.15 0.00 0.41 0.02 0.00 0.00 175.30 176.12 1wwd n GLY 45 N 4.31 0.88 3.74 -3.53 0.00 -1.26 -4.72 105.19 104.60 1wwd n GLY 45 Ca -0.21 -2.17 -0.41 0.00 0.00 0.00 0.00 46.02 43.24 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 -0.97 4.57 -0.27 1.61 0.04 -1.26 -5.05 135.00 133.66 1wwd s PRO 46 Ca 0.00 1.75 -0.35 0.00 0.04 0.00 0.00 61.00 62.43 1wwd s PRO 46 Cb 0.00 -3.27 -0.12 0.00 0.04 0.00 0.00 34.50 31.15 1wwd s PRO 46 CO 0.00 0.03 2.05 -2.13 0.04 0.00 0.00 177.00 176.99 1wwd n ARG 47 N 2.47 1.38 0.00 4.56 0.63 -1.26 -4.69 116.66 119.75 1wwd n ARG 47 Ca 0.03 0.44 0.00 0.00 -0.92 0.00 0.00 57.85 57.40 1wwd n ARG 47 Cb 0.46 -2.49 0.00 0.00 0.45 0.00 0.00 32.46 30.88 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 5.66 -1.69 3.57 5.14 0.00 -1.26 -5.08 105.19 111.54 1wwd n GLY 48 Ca 0.34 0.74 -0.35 0.00 0.00 0.00 0.00 46.02 46.75 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 0.00 3.19 -0.39 1.61 0.04 -1.26 -4.80 135.00 133.39 1wwd s PRO 49 Ca 0.00 -1.21 0.03 0.00 0.04 0.00 0.00 61.00 59.85 1wwd s PRO 49 Cb 0.00 -5.32 0.16 0.00 0.04 0.00 0.00 34.50 29.38 1wwd s PRO 49 CO 0.00 -2.96 0.35 1.03 0.04 0.00 0.00 177.00 175.46 1wwd s ARG 50 N 5.60 0.72 -0.08 4.56 0.52 -1.26 -5.00 118.95 124.01 1wwd s ARG 50 Ca 0.59 -1.35 -0.23 0.00 -0.52 0.00 0.00 55.73 54.23 1wwd s ARG 50 Cb -0.00 -1.01 -0.19 0.00 0.52 0.00 0.00 34.95 34.27 1wwd s ARG 50 CO 0.04 -1.26 0.84 -1.00 0.02 0.00 0.00 175.30 173.93 1wwd h PRO 51 N 6.48 -0.09 -0.65 3.54 0.13 -2.06 -3.46 132.00 135.90 1wwd h PRO 51 Ca 0.11 0.01 0.15 0.00 -0.87 0.00 0.00 66.00 65.40 1wwd h PRO 51 Cb 1.00 0.02 -0.21 0.00 0.13 0.00 0.00 31.00 31.94 1wwd h PRO 51 CO 0.24 0.50 -0.11 -1.14 -0.23 0.00 0.00 178.00 177.26 1wwd s GLN 52 N -3.04 0.37 -1.02 0.86 -0.44 -1.26 -5.09 119.66 110.03 1wwd s GLN 52 Ca -0.14 0.55 -0.23 0.00 -2.50 0.00 0.00 55.36 53.04 1wwd s GLN 52 Cb -0.00 0.29 0.05 0.00 -1.64 0.00 0.00 33.01 31.71 1wwd s GLN 52 CO 0.54 -0.50 1.45 0.95 0.50 0.00 0.00 175.29 178.23 1wwd s THR 53 N 2.90 3.92 0.78 -0.34 -4.23 -1.26 -4.98 115.64 112.43 1wwd s THR 53 Ca 0.13 -0.75 -0.12 0.00 -1.18 0.00 0.00 61.69 59.76 1wwd s THR 53 Cb -0.10 -5.06 0.06 0.00 1.34 0.00 0.00 72.50 68.74 1wwd s THR 53 CO -0.19 -1.94 1.15 -0.55 -0.54 0.00 0.00 174.62 172.56 1wwd s SER 54 N 4.98 4.74 -0.22 3.99 0.15 -1.26 -5.07 113.70 121.01 1wwd s SER 54 Ca 0.46 0.89 0.00 0.00 0.70 0.00 0.00 55.95 58.00 1wwd s SER 54 Cb -0.00 -1.47 0.06 0.00 -1.71 0.00 0.00 66.02 62.89 1wwd s SER 54 CO -0.10 -1.77 -0.04 -0.22 1.20 0.00 0.00 173.24 172.31 1wwd s LEU 55 N -5.53 2.29 0.00 3.45 0.20 -1.26 -5.28 118.68 112.54 1wwd s LEU 55 Ca 0.61 -1.07 0.00 0.00 0.69 0.00 0.00 54.13 54.36 1wwd s LEU 55 Cb -0.11 -1.08 0.00 0.00 -0.43 0.00 0.00 46.19 44.57 1wwd s LEU 55 CO 0.50 -0.24 0.00 0.00 -0.29 0.00 0.00 176.35 176.32