#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 5.14 -0.03 0.00 -1.32 -1.26 -5.02 115.64 113.14 1wwd s THR 2 Ca 0.00 -0.41 -0.29 0.00 -1.21 0.00 0.00 61.69 59.78 1wwd s THR 2 Cb 0.00 -4.00 0.07 0.00 -1.51 0.00 0.00 72.50 67.05 1wwd s THR 2 CO 0.00 -0.38 0.64 0.54 -2.21 0.00 0.00 174.62 173.21 1wwd s VAL 3 N 2.01 0.01 -0.16 5.08 0.11 -1.26 -5.15 120.40 121.04 1wwd s VAL 3 Ca 0.10 -0.04 -0.03 0.00 -2.93 0.00 0.00 61.98 59.08 1wwd s VAL 3 Cb -0.18 -0.97 -0.02 0.00 -1.53 0.00 0.00 36.38 33.68 1wwd s VAL 3 CO 0.13 -0.02 -0.07 0.54 -3.33 0.00 0.00 175.10 172.34 1wwd s VAL 4 N -1.36 3.54 -0.19 2.04 0.11 -1.26 -5.09 120.40 118.18 1wwd s VAL 4 Ca -0.10 -0.48 -0.02 0.00 -2.93 0.00 0.00 61.98 58.45 1wwd s VAL 4 Cb -0.00 -2.54 -0.01 0.00 -1.53 0.00 0.00 36.38 32.30 1wwd s VAL 4 CO 0.08 0.49 -0.09 -0.94 -3.33 0.00 0.00 175.10 171.32 1wwd s SER 5 N 0.55 4.08 0.00 3.54 1.04 -1.26 -5.02 113.70 116.63 1wwd s SER 5 Ca -0.05 -0.40 0.00 0.00 0.48 0.00 0.00 55.95 55.98 1wwd s SER 5 Cb -0.15 -1.67 0.00 0.00 0.10 0.00 0.00 66.02 64.30 1wwd s SER 5 CO 0.03 0.04 0.00 0.61 0.98 0.00 0.00 173.24 174.90 1wwd n GLY 6 N 4.41 2.24 3.39 7.32 0.00 -1.26 -5.07 105.19 116.23 1wwd n GLY 6 Ca -0.19 -1.98 -0.30 0.00 0.00 0.00 0.00 46.02 43.55 1wwd n GLY 6 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1wwd s GLN 7 N -2.58 1.86 -0.04 1.61 1.03 -1.26 -5.05 119.66 115.22 1wwd s GLN 7 Ca 0.00 -1.09 -0.07 0.00 0.04 0.00 0.00 55.36 54.24 1wwd s GLN 7 Cb 0.00 -2.05 -0.02 0.00 0.03 0.00 0.00 33.01 30.97 1wwd s GLN 7 CO 0.00 0.52 -0.14 1.17 -2.54 0.00 0.00 175.29 174.29 1wwd n LYS 8 N 1.61 0.22 -4.66 9.60 3.00 -1.26 -5.04 118.16 121.63 1wwd n LYS 8 Ca -0.17 0.09 -0.32 0.00 -0.00 0.00 0.00 58.31 57.91 1wwd n LYS 8 Cb 0.52 -0.82 -0.12 0.00 0.00 0.00 0.00 35.03 34.61 1wwd n LYS 8 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.40 178.54 1wwd s GLN 9 N -2.09 2.34 0.17 1.64 -2.07 -1.26 -5.13 119.66 113.26 1wwd s GLN 9 Ca -0.12 -0.82 0.10 0.00 -1.82 0.00 0.00 55.36 52.70 1wwd s GLN 9 Cb 0.02 -2.34 -0.04 0.00 -1.09 0.00 0.00 33.01 29.56 1wwd s GLN 9 CO 0.18 0.58 -0.22 0.34 -1.32 0.00 0.00 175.29 174.85 1wwd s ASP 10 N -1.25 3.04 -0.30 12.60 2.15 -1.26 -5.10 116.67 126.55 1wwd s ASP 10 Ca 0.15 -0.84 -0.14 0.00 0.43 0.00 0.00 52.55 52.15 1wwd s ASP 10 Cb -0.11 -0.20 0.19 0.00 -0.30 0.00 0.00 42.92 42.50 1wwd s ASP 10 CO 0.05 0.06 1.16 -0.60 -0.17 0.00 0.00 175.17 175.67 1wwd s ARG 11 N -2.60 0.00 -0.23 4.34 3.52 -1.26 -5.17 118.95 117.55 1wwd s ARG 11 Ca 0.17 -0.00 -0.35 0.00 -0.13 0.00 0.00 55.73 55.41 1wwd s ARG 11 Cb -0.07 0.00 0.15 0.00 -1.56 0.00 0.00 34.95 33.47 1wwd s ARG 11 CO 0.08 -0.00 1.28 -1.14 -0.81 0.00 0.00 175.30 174.70 1wwd s GLN 12 N 2.08 0.20 0.00 5.12 -0.44 -1.26 -5.13 119.66 120.22 1wwd s GLN 12 Ca 0.16 -0.06 0.00 0.00 -2.50 0.00 0.00 55.36 52.96 1wwd s GLN 12 Cb 0.05 0.09 0.00 0.00 -1.64 0.00 0.00 33.01 31.51 1wwd s GLN 12 CO -0.17 -0.08 0.00 0.41 0.50 0.00 0.00 175.29 175.94 1wwd n GLY 13 N 0.04 -1.27 0.00 2.59 0.00 -1.26 -5.09 105.19 100.19 1wwd n GLY 13 Ca 0.02 0.60 0.00 0.00 0.00 0.00 0.00 46.02 46.63 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 -1.81 3.16 -0.02 0.00 -1.26 -5.11 105.19 100.15 1wwd n GLY 14 Ca 0.00 0.62 -0.39 0.00 0.00 0.00 0.00 46.02 46.25 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 2.87 -0.15 1.61 2.02 -1.26 -5.02 118.70 118.77 1wwd s GLU 15 Ca 0.00 -2.53 -0.15 0.00 0.02 0.00 0.00 54.97 52.31 1wwd s GLU 15 Cb 0.00 -3.93 0.04 0.00 0.10 0.00 0.00 34.13 30.34 1wwd s GLU 15 CO 0.00 -1.21 0.43 -0.98 0.02 0.00 0.00 175.26 173.52 1wwd s ARG 16 N -0.03 0.53 0.27 1.61 1.70 -1.26 -5.17 118.95 116.60 1wwd s ARG 16 Ca 0.17 0.52 0.08 0.00 -0.47 0.00 0.00 55.73 56.04 1wwd s ARG 16 Cb -0.17 0.26 -0.04 0.00 -0.57 0.00 0.00 34.95 34.42 1wwd s ARG 16 CO -0.05 -0.08 0.09 0.50 -1.08 0.00 0.00 175.30 174.69 1wwd s ARG 17 N 0.05 2.55 -0.78 3.89 3.52 -1.26 -5.04 118.95 121.89 1wwd s ARG 17 Ca -0.01 -1.29 -0.00 0.00 -0.13 0.00 0.00 55.73 54.29 1wwd s ARG 17 Cb -0.03 -2.32 0.36 0.00 -1.56 0.00 0.00 34.95 31.40 1wwd s ARG 17 CO 0.01 0.34 1.79 2.89 -0.81 0.00 0.00 175.30 179.53 1wwd n ARG 18 N -1.04 3.17 -1.24 5.12 1.85 -1.26 -5.01 116.66 118.25 1wwd n ARG 18 Ca -0.06 -3.87 -0.55 0.00 -1.00 0.00 0.00 57.85 52.36 1wwd n ARG 18 Cb 0.59 -2.28 -0.12 0.00 -1.05 0.00 0.00 32.46 29.59 1wwd n ARG 18 CO 0.00 0.00 0.00 0.43 -0.01 0.00 0.00 177.63 178.05 1wwd n SER 19 N -0.47 0.66 -4.09 2.89 7.64 -1.26 0.04 113.62 119.03 1wwd n SER 19 Ca 0.50 0.58 -0.39 0.00 1.01 0.00 0.00 58.87 60.57 1wwd n SER 19 Cb 0.33 -0.87 -0.01 0.00 -1.01 0.00 0.00 64.21 62.64 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 7.36 -0.46 -2.97 1.43 6.02 -1.26 -4.80 117.38 122.70 1wwd n GLN 20 Ca 0.54 0.02 -0.44 0.00 -0.01 0.00 0.00 57.00 57.11 1wwd n GLN 20 Cb -0.03 -2.42 0.00 0.00 1.02 0.00 0.00 30.24 28.81 1wwd n GLN 20 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 177.06 175.94 1wwd n LEU 21 N -4.57 5.31 -4.49 1.08 0.00 0.11 -4.99 117.00 109.44 1wwd n LEU 21 Ca -0.16 -4.54 -0.35 0.00 0.00 0.00 0.00 56.01 50.97 1wwd n LEU 21 Cb 0.54 -1.60 0.10 0.00 0.00 0.00 0.00 43.42 42.46 1wwd n LEU 21 CO 0.70 0.83 0.15 0.47 0.00 0.00 0.00 177.39 179.54 1wwd n ASP 22 N 5.22 -1.05 0.00 1.96 9.92 -1.26 -4.81 116.55 126.53 1wwd n ASP 22 Ca 0.35 0.50 0.06 0.00 -0.53 0.00 0.00 54.79 55.18 1wwd n ASP 22 Cb 0.42 -1.27 0.31 0.00 -0.64 0.00 0.00 41.12 39.94 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 -1.57 0.14 -0.34 -1.24 5.12 -1.26 -1.44 116.66 116.08 1wwd n ARG 23 Ca 0.10 0.19 0.05 0.00 -1.93 0.00 0.00 57.85 56.26 1wwd n ARG 23 Cb 0.51 -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 -0.25 -1.93 0.00 0.00 177.63 175.45 1wwd n ASP 24 N -1.34 1.20 -4.33 0.55 10.43 -1.26 -5.01 116.55 116.79 1wwd n ASP 24 Ca 0.05 -2.58 -0.36 0.00 2.57 0.00 0.00 54.79 54.47 1wwd n ASP 24 Cb 0.11 -0.32 -0.13 0.00 1.84 0.00 0.00 41.12 42.62 1wwd n ASP 24 CO 0.00 0.00 0.00 -1.58 -1.07 0.00 0.00 177.20 174.55 1wwd s GLN 25 N -1.47 3.18 0.46 -1.24 0.74 -0.52 -1.50 119.66 119.31 1wwd s GLN 25 Ca 0.18 -0.78 -0.22 0.00 0.05 0.00 0.00 55.36 54.58 1wwd s GLN 25 Cb 0.16 -3.23 -0.11 0.00 1.10 0.00 0.00 33.01 30.93 1wwd s GLN 25 CO 0.01 -0.36 0.74 0.00 -0.55 0.00 0.00 175.29 175.13 1wwd n ALA 27 N -0.93 4.66 0.08 0.00 0.00 -1.26 -3.74 120.51 119.31 1wwd n ALA 27 Ca 0.11 -3.30 0.00 0.00 0.00 0.00 0.00 53.44 50.25 1wwd n ALA 27 Cb 0.41 -0.76 0.00 0.00 0.00 0.00 0.00 19.45 19.10 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 -1.04 -1.14 -0.08 0.00 9.36 -1.26 -4.89 117.16 118.12 1wwd n TYR 28 Ca 0.38 0.20 -0.10 0.00 3.32 0.00 0.00 57.90 61.70 1wwd n TYR 28 Cb 0.99 0.37 -0.15 0.00 -0.63 0.00 0.00 39.34 39.92 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 -2.86 0.00 -4.24 0.00 4.76 -1.25 -5.08 118.16 109.50 1wwd n LYS 30 Ca -0.28 0.01 -0.34 0.00 -2.87 0.00 0.00 58.31 54.83 1wwd n LYS 30 Cb 1.12 -1.09 -0.12 0.00 -1.84 0.00 0.00 35.03 33.10 1wwd n LYS 30 CO 0.00 0.00 0.00 -2.00 -1.37 0.00 0.00 177.40 174.03 1wwd s GLU 31 N -1.82 3.68 0.09 1.97 -6.30 -1.26 -4.82 118.70 110.23 1wwd s GLU 31 Ca 0.00 -0.50 -0.23 0.00 -2.50 0.00 0.00 54.97 51.74 1wwd s GLU 31 Cb 0.00 -3.00 -0.07 0.00 0.00 0.00 0.00 34.13 31.06 1wwd s GLU 31 CO 0.00 0.16 0.70 -1.59 0.02 0.00 0.00 175.26 174.54 1wwd s LYS 32 N 0.60 4.42 0.00 4.30 0.00 -1.26 -1.27 119.74 126.53 1wwd s LYS 32 Ca -0.01 0.97 0.00 0.00 0.00 0.00 0.00 55.97 56.92 1wwd s LYS 32 Cb -0.14 -3.29 0.00 0.00 0.00 0.00 0.00 37.83 34.39 1wwd s LYS 32 CO 0.02 0.48 0.00 0.41 0.00 0.00 0.00 175.35 176.27 1wwd n GLY 33 N 1.96 1.46 3.08 0.59 0.00 -0.56 -4.95 105.19 106.77 1wwd n GLY 33 Ca -0.06 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.84 0.44 0.38 1.61 -3.43 -1.26 -5.08 115.29 107.10 1wwd s HIS 34 Ca 0.00 -0.91 -0.01 0.00 -0.80 0.00 0.00 55.06 53.34 1wwd s HIS 34 Cb 0.00 -0.32 -0.03 0.00 -1.43 0.00 0.00 32.58 30.79 1wwd s HIS 34 CO 0.00 -0.35 0.61 -1.58 -2.00 0.00 0.00 174.74 171.41 1wwd s TRP 35 N -3.39 3.52 0.37 0.38 0.52 -1.26 -2.95 118.94 116.13 1wwd s TRP 35 Ca 0.02 0.46 0.06 0.00 0.02 0.00 0.00 56.10 56.66 1wwd s TRP 35 Cb 0.04 -1.99 0.76 0.00 -1.15 0.00 0.00 33.47 31.12 1wwd s TRP 35 CO -0.08 0.03 2.00 0.00 0.02 0.00 0.00 176.95 178.92 1wwd h ALA 36 N 0.64 1.68 0.00 0.98 0.00 -1.92 0.47 119.26 121.10 1wwd h ALA 36 Ca -0.49 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.39 1wwd h ALA 36 Cb 1.21 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.80 1wwd h ALA 36 CO 0.61 0.26 0.00 1.63 0.00 0.00 0.00 179.25 181.75 1wwd n LYS 37 N -4.46 0.11 -1.58 0.00 5.02 -1.26 -1.18 118.16 114.81 1wwd n LYS 37 Ca 0.07 0.53 -0.00 0.00 -2.02 0.00 0.00 58.31 56.89 1wwd n LYS 37 Cb 0.14 -1.81 0.08 0.00 -0.02 0.00 0.00 35.03 33.41 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 -2.05 1.88 -4.70 4.39 4.64 0.15 -5.07 116.55 115.80 1wwd n ASP 38 Ca 0.00 -2.80 -0.42 0.00 -1.38 0.00 0.00 54.79 50.19 1wwd n ASP 38 Cb 0.08 -0.41 -0.03 0.00 -1.04 0.00 0.00 41.12 39.73 1wwd n ASP 38 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 1wwd h PRO 40 N 7.47 0.00 0.00 0.00 0.13 -1.90 -2.59 132.00 135.11 1wwd h PRO 40 Ca -0.39 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.74 1wwd h PRO 40 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1wwd h PRO 40 CO 0.88 0.01 0.00 1.17 -0.23 0.00 0.00 178.00 179.84 1wwd n LYS 41 N -3.10 0.07 -2.52 0.86 4.81 -1.26 -4.66 118.16 112.35 1wwd n LYS 41 Ca 0.02 0.13 -0.43 0.00 -0.87 0.00 0.00 58.31 57.16 1wwd n LYS 41 Cb 0.42 -1.50 -0.02 0.00 0.02 0.00 0.00 35.03 33.95 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 -2.90 3.91 0.13 1.64 1.02 -0.98 -4.89 119.74 117.67 1wwd s LYS 42 Ca 0.12 1.05 -0.06 0.00 0.02 0.00 0.00 55.97 57.10 1wwd s LYS 42 Cb 0.14 -3.84 -0.08 0.00 -0.52 0.00 0.00 37.83 33.52 1wwd s LYS 42 CO 0.37 -1.12 1.32 -1.00 -0.92 0.00 0.00 175.35 174.00 1wwd h PRO 43 N 8.96 0.51 -3.57 -1.68 0.13 -1.89 -3.50 132.00 130.97 1wwd h PRO 43 Ca -0.24 -0.49 0.00 0.00 -0.87 0.00 0.00 66.00 64.40 1wwd h PRO 43 Cb 1.08 0.13 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1wwd h PRO 43 CO 1.05 1.13 -0.85 0.54 -0.23 0.00 0.00 178.00 179.63 1wwd n ARG 44 N -3.81 -4.46 0.00 0.86 1.74 -1.26 -5.03 116.66 104.70 1wwd n ARG 44 Ca -0.07 3.28 0.00 0.00 -0.77 0.00 0.00 57.85 60.29 1wwd n ARG 44 Cb 0.80 -3.65 0.00 0.00 -1.02 0.00 0.00 32.46 28.58 1wwd n ARG 44 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1wwd n GLY 45 N -0.33 -0.04 3.70 -0.13 0.00 -1.26 -4.84 105.19 102.29 1wwd n GLY 45 Ca 0.00 -1.88 -0.42 0.00 0.00 0.00 0.00 46.02 43.72 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 -1.39 4.40 0.10 1.61 0.04 -1.26 -5.11 135.00 133.38 1wwd s PRO 46 Ca 0.00 1.72 -0.31 0.00 0.04 0.00 0.00 61.00 62.45 1wwd s PRO 46 Cb 0.00 -3.45 -0.07 0.00 0.04 0.00 0.00 34.50 31.02 1wwd s PRO 46 CO 0.00 -0.33 1.26 0.50 0.04 0.00 0.00 177.00 178.46 1wwd s ARG 47 N 1.58 4.41 0.94 4.56 3.52 -1.26 -4.98 118.95 127.71 1wwd s ARG 47 Ca 0.57 1.88 -0.14 0.00 -0.13 0.00 0.00 55.73 57.91 1wwd s ARG 47 Cb -0.27 -3.30 -0.02 0.00 -1.56 0.00 0.00 34.95 29.80 1wwd s ARG 47 CO 0.26 -0.28 0.11 0.41 -0.81 0.00 0.00 175.30 174.99 1wwd n GLY 48 N 3.13 -2.64 3.55 8.12 0.00 -1.26 -4.80 105.19 111.30 1wwd n GLY 48 Ca 0.09 -0.72 -0.38 0.00 0.00 0.00 0.00 46.02 45.00 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 -3.13 2.95 0.50 1.61 0.04 -1.26 -4.71 135.00 131.00 1wwd s PRO 49 Ca 0.53 -0.02 0.00 0.00 0.04 0.00 0.00 61.00 61.56 1wwd s PRO 49 Cb -0.22 -4.49 0.00 0.00 0.04 0.00 0.00 34.50 29.83 1wwd s PRO 49 CO 0.70 -2.52 0.00 0.54 0.04 0.00 0.00 177.00 175.77 1wwd n ARG 50 N 9.20 -4.25 -2.40 4.56 3.00 -1.26 -4.78 116.66 120.71 1wwd n ARG 50 Ca 0.17 3.18 -0.43 0.00 -0.01 0.00 0.00 57.85 60.76 1wwd n ARG 50 Cb 0.50 -3.59 -0.02 0.00 0.00 0.00 0.00 32.46 29.34 1wwd n ARG 50 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.63 176.38 1wwd s PRO 51 N -4.00 4.19 0.26 5.56 0.04 -1.26 -4.77 135.00 135.01 1wwd s PRO 51 Ca 0.00 1.63 0.00 0.00 0.04 0.00 0.00 61.00 62.67 1wwd s PRO 51 Cb 0.00 -3.79 0.00 0.00 0.04 0.00 0.00 34.50 30.75 1wwd s PRO 51 CO 0.00 -0.77 0.00 0.94 0.04 0.00 0.00 177.00 177.21 1wwd n GLN 52 N 6.73 0.00 -4.77 4.56 7.27 -1.26 -5.09 117.38 124.81 1wwd n GLN 52 Ca 0.14 0.00 -0.29 0.00 0.07 0.00 0.00 57.00 56.92 1wwd n GLN 52 Cb 0.45 -0.02 -0.17 0.00 2.41 0.00 0.00 30.24 32.91 1wwd n GLN 52 CO 0.00 0.00 0.00 -0.08 0.07 0.00 0.00 177.06 177.05 1wwd s THR 53 N -1.88 1.68 -0.17 1.69 -1.32 -1.26 -5.12 115.64 109.26 1wwd s THR 53 Ca 0.00 -0.78 -0.06 0.00 -1.21 0.00 0.00 61.69 59.64 1wwd s THR 53 Cb 0.00 -1.49 -0.04 0.00 -1.51 0.00 0.00 72.50 69.46 1wwd s THR 53 CO 0.00 0.48 0.05 -0.94 -2.21 0.00 0.00 174.62 171.99 1wwd s SER 54 N 0.67 5.51 -0.08 8.08 1.04 -1.26 -5.09 113.70 122.58 1wwd s SER 54 Ca -0.13 0.08 -0.13 0.00 0.48 0.00 0.00 55.95 56.25 1wwd s SER 54 Cb -0.16 -1.90 -0.05 0.00 0.10 0.00 0.00 66.02 64.01 1wwd s SER 54 CO 0.03 0.20 0.34 -0.22 0.98 0.00 0.00 173.24 174.57 1wwd s LEU 55 N 0.19 4.38 0.00 2.42 2.96 -1.26 -5.28 118.68 122.09 1wwd s LEU 55 Ca 0.03 0.74 0.27 0.00 -0.22 0.00 0.00 54.13 54.95 1wwd s LEU 55 Cb -0.12 -2.45 0.88 0.00 0.50 0.00 0.00 46.19 45.00 1wwd s LEU 55 CO 0.01 0.25 1.65 -0.11 -1.32 0.00 0.00 176.35 176.83