#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 0.00 -0.48 0.00 -1.32 -1.26 -5.10 115.64 107.47 1wwd s THR 2 Ca 0.00 0.00 0.06 0.00 -1.21 0.00 0.00 61.69 60.54 1wwd s THR 2 Cb 0.00 -1.00 0.21 0.00 -1.51 0.00 0.00 72.50 70.20 1wwd s THR 2 CO 0.00 0.00 0.71 1.33 -2.21 0.00 0.00 174.62 174.45 1wwd n VAL 3 N 1.82 -0.23 -1.37 5.08 0.24 -1.26 -5.10 118.33 117.52 1wwd n VAL 3 Ca -0.16 -1.75 -0.57 0.00 -2.04 0.00 0.00 64.34 59.82 1wwd n VAL 3 Cb 0.56 0.54 -0.10 0.00 -1.47 0.00 0.00 33.84 33.37 1wwd n VAL 3 CO 0.00 0.00 0.00 0.55 -2.14 0.00 0.00 176.83 175.24 1wwd n VAL 4 N 2.38 0.08 -3.96 3.34 3.14 -1.26 -4.90 118.33 117.16 1wwd n VAL 4 Ca 0.17 -0.09 -0.32 0.00 -2.96 0.00 0.00 64.34 61.14 1wwd n VAL 4 Cb 0.57 -0.94 -0.05 0.00 -1.06 0.00 0.00 33.84 32.36 1wwd n VAL 4 CO 0.00 0.00 0.00 -0.55 -6.46 0.00 0.00 176.83 169.82 1wwd s SER 5 N 6.15 6.13 0.16 6.55 0.15 -1.26 -5.10 113.70 126.48 1wwd s SER 5 Ca 1.14 0.24 -0.08 0.00 0.70 0.00 0.00 55.95 57.95 1wwd s SER 5 Cb -1.25 -1.85 -0.06 0.00 -1.71 0.00 0.00 66.02 61.14 1wwd s SER 5 CO 0.61 0.22 0.45 -0.83 1.20 0.00 0.00 173.24 174.89 1wwd s GLY 6 N -2.17 2.28 -0.30 9.45 0.00 -1.26 -4.86 107.32 110.46 1wwd s GLY 6 Ca 0.30 -0.41 -0.13 0.00 0.00 0.00 0.00 44.72 44.47 1wwd s GLY 6 CO 0.22 -0.28 1.01 1.20 0.00 0.00 0.00 173.10 175.25 1wwd s GLN 7 N -2.56 0.25 0.10 2.90 -1.52 -1.26 -5.13 119.66 112.43 1wwd s GLN 7 Ca 0.42 0.53 -0.12 0.00 -1.95 0.00 0.00 55.36 54.24 1wwd s GLN 7 Cb -0.12 0.31 0.02 0.00 -0.22 0.00 0.00 33.01 32.99 1wwd s GLN 7 CO 0.22 -0.18 0.29 0.21 -0.25 0.00 0.00 175.29 175.58 1wwd s LYS 8 N 2.66 0.94 0.24 2.91 2.47 -1.26 -5.17 119.74 122.53 1wwd s LYS 8 Ca 0.00 -0.82 0.06 0.00 -1.56 0.00 0.00 55.97 53.65 1wwd s LYS 8 Cb -0.08 0.40 -0.03 0.00 -1.46 0.00 0.00 37.83 36.65 1wwd s LYS 8 CO -0.15 -0.33 0.27 -0.65 0.16 0.00 0.00 175.35 174.65 1wwd s GLN 9 N -3.74 3.17 0.53 4.03 -0.21 -1.26 -5.12 119.66 117.06 1wwd s GLN 9 Ca 0.03 -0.90 -0.02 0.00 0.02 0.00 0.00 55.36 54.49 1wwd s GLN 9 Cb 0.03 -2.72 0.01 0.00 1.00 0.00 0.00 33.01 31.33 1wwd s GLN 9 CO -0.11 0.42 0.78 0.34 -2.12 0.00 0.00 175.29 174.61 1wwd s ASP 10 N -3.87 5.56 1.02 5.90 -1.08 -1.26 -5.06 116.67 117.88 1wwd s ASP 10 Ca 0.33 0.35 -0.11 0.00 -0.52 0.00 0.00 52.55 52.60 1wwd s ASP 10 Cb -0.09 -1.40 0.20 0.00 -1.46 0.00 0.00 42.92 40.18 1wwd s ASP 10 CO 0.27 -0.97 1.09 -0.13 0.52 0.00 0.00 175.17 175.95 1wwd s ARG 11 N -4.78 0.24 -0.05 4.34 0.52 -1.26 -5.05 118.95 112.90 1wwd s ARG 11 Ca 0.53 1.23 -0.30 0.00 -0.52 0.00 0.00 55.73 56.67 1wwd s ARG 11 Cb -0.10 -1.66 0.08 0.00 0.52 0.00 0.00 34.95 33.79 1wwd s ARG 11 CO 0.41 -3.06 0.73 -1.14 0.02 0.00 0.00 175.30 172.25 1wwd s GLN 12 N -4.58 0.99 0.00 3.54 0.74 -1.26 -5.08 119.66 114.01 1wwd s GLN 12 Ca 0.67 0.18 0.00 0.00 0.05 0.00 0.00 55.36 56.26 1wwd s GLN 12 Cb -0.23 0.47 0.00 0.00 1.10 0.00 0.00 33.01 34.34 1wwd s GLN 12 CO 0.61 -0.32 0.00 0.41 -0.55 0.00 0.00 175.29 175.43 1wwd n GLY 13 N 0.76 1.57 3.09 2.59 0.00 -1.26 -5.07 105.19 106.87 1wwd n GLY 13 Ca -0.17 -0.82 -0.45 0.00 0.00 0.00 0.00 46.02 44.57 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 -1.30 0.44 -0.02 0.00 -1.26 -4.68 105.19 98.37 1wwd n GLY 14 Ca 0.00 0.39 0.00 0.00 0.00 0.00 0.00 46.02 46.41 1wwd n GLY 14 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1wwd n GLU 15 N 1.00 0.00 -3.64 1.61 2.13 -1.26 -5.17 120.64 115.31 1wwd n GLU 15 Ca 0.17 0.00 0.03 0.00 0.66 0.00 0.00 57.16 58.02 1wwd n GLU 15 Cb 0.19 0.00 -0.00 0.00 0.27 0.00 0.00 31.44 31.90 1wwd n GLU 15 CO 0.00 0.00 0.00 -0.98 -0.41 0.00 0.00 177.13 175.74 1wwd s ARG 16 N -1.96 0.20 0.72 5.31 1.70 -1.26 -5.15 118.95 118.51 1wwd s ARG 16 Ca 0.00 -0.11 -0.17 0.00 -0.47 0.00 0.00 55.73 54.98 1wwd s ARG 16 Cb 0.00 0.07 -0.14 0.00 -0.57 0.00 0.00 34.95 34.30 1wwd s ARG 16 CO 0.00 -0.09 -0.45 0.54 -1.08 0.00 0.00 175.30 174.22 1wwd n ARG 17 N -0.55 0.00 -2.08 3.89 3.00 -1.26 -4.86 116.66 114.79 1wwd n ARG 17 Ca -0.08 0.00 -0.32 0.00 -0.01 0.00 0.00 57.85 57.45 1wwd n ARG 17 Cb 0.63 -0.95 0.03 0.00 0.00 0.00 0.00 32.46 32.16 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 1.92 3.15 0.00 5.56 1.85 -1.26 -5.00 116.66 122.88 1wwd n ARG 18 Ca 0.03 -3.99 0.00 0.00 -1.00 0.00 0.00 57.85 52.89 1wwd n ARG 18 Cb 0.49 -2.27 0.00 0.00 -1.05 0.00 0.00 32.46 29.64 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 -0.59 0.00 -1.12 2.89 7.64 -1.26 -0.72 113.62 120.46 1wwd n SER 19 Ca 0.48 0.00 -0.06 0.00 1.01 0.00 0.00 58.87 60.29 1wwd n SER 19 Cb 0.57 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.72 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 0.00 0.12 -1.51 1.43 6.02 -1.26 -5.08 117.38 117.10 1wwd n GLN 20 Ca 0.00 -0.97 -0.34 0.00 -0.01 0.00 0.00 57.00 55.67 1wwd n GLN 20 Cb 0.00 0.49 -0.15 0.00 1.02 0.00 0.00 30.24 31.60 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 -0.13 0.16 -4.78 1.08 0.00 0.10 -4.84 117.00 108.60 1wwd n LEU 21 Ca -0.26 -0.16 -0.32 0.00 0.00 0.00 0.00 56.01 55.28 1wwd n LEU 21 Cb 0.70 -0.94 0.07 0.00 0.00 0.00 0.00 43.42 43.25 1wwd n LEU 21 CO -0.14 -1.08 0.71 -0.62 0.00 0.00 0.00 177.39 176.26 1wwd s ASP 22 N 7.27 4.84 0.00 1.96 -1.08 -1.26 -4.88 116.67 123.51 1wwd s ASP 22 Ca 1.29 1.84 0.11 0.00 -0.52 0.00 0.00 52.55 55.27 1wwd s ASP 22 Cb -0.98 -2.53 0.54 0.00 -1.46 0.00 0.00 42.92 38.49 1wwd s ASP 22 CO 0.46 -1.81 1.30 0.54 0.52 0.00 0.00 175.17 176.18 1wwd n ARG 23 N -3.11 0.10 -0.61 4.34 5.12 -1.26 -1.39 116.66 119.86 1wwd n ARG 23 Ca 0.09 0.22 0.05 0.00 -1.93 0.00 0.00 57.85 56.29 1wwd n ARG 23 Cb 0.53 -1.50 0.09 0.00 -1.16 0.00 0.00 32.46 30.41 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 -1.36 1.21 -4.34 0.55 -0.08 -1.26 -5.02 116.55 106.24 1wwd n ASP 24 Ca 0.04 -2.68 -0.35 0.00 -1.51 0.00 0.00 54.79 50.29 1wwd n ASP 24 Cb 0.10 -0.35 -0.14 0.00 2.34 0.00 0.00 41.12 43.08 1wwd n ASP 24 CO 0.00 0.00 0.00 -1.58 0.12 0.00 0.00 177.20 175.74 1wwd s GLN 25 N -1.45 3.43 0.15 -0.67 0.74 -0.48 -1.41 119.66 119.97 1wwd s GLN 25 Ca 0.24 -0.61 -0.33 0.00 0.05 0.00 0.00 55.36 54.71 1wwd s GLN 25 Cb 0.23 -2.99 -0.13 0.00 1.10 0.00 0.00 33.01 31.22 1wwd s GLN 25 CO -0.04 -0.12 1.66 0.00 -0.55 0.00 0.00 175.29 176.24 1wwd n ALA 27 N 3.98 5.93 0.04 0.00 0.00 -1.26 -2.60 120.51 126.61 1wwd n ALA 27 Ca 0.17 -3.15 0.00 0.00 0.00 0.00 0.00 53.44 50.46 1wwd n ALA 27 Cb 0.31 -1.59 0.00 0.00 0.00 0.00 0.00 19.45 18.16 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 -0.47 -0.02 0.00 9.36 -1.26 -4.88 117.16 118.85 1wwd n TYR 28 Ca 0.61 0.08 0.04 0.00 3.32 0.00 0.00 57.90 61.96 1wwd n TYR 28 Cb 1.23 0.23 -0.11 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 -2.12 0.00 -3.43 0.00 5.02 -1.07 -5.05 118.16 111.51 1wwd n LYS 30 Ca -0.07 0.11 -0.39 0.00 -2.02 0.00 0.00 58.31 55.95 1wwd n LYS 30 Cb 0.51 -1.80 -0.09 0.00 -0.02 0.00 0.00 35.03 33.62 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 -1.74 4.01 -0.02 1.97 2.02 -1.25 -4.79 118.70 118.90 1wwd s GLU 31 Ca 0.00 -0.03 -0.30 0.00 0.02 0.00 0.00 54.97 54.67 1wwd s GLU 31 Cb 0.00 -3.65 -0.03 0.00 0.10 0.00 0.00 34.13 30.55 1wwd s GLU 31 CO 0.00 -0.25 1.00 0.21 0.02 0.00 0.00 175.26 176.24 1wwd s LYS 32 N 1.99 4.52 0.00 1.61 2.20 -1.26 -1.23 119.74 127.57 1wwd s LYS 32 Ca 0.13 1.44 0.00 0.00 -0.36 0.00 0.00 55.97 57.18 1wwd s LYS 32 Cb -0.16 -3.47 0.00 0.00 -1.51 0.00 0.00 37.83 32.69 1wwd s LYS 32 CO 0.10 -0.13 0.00 0.41 -0.36 0.00 0.00 175.35 175.37 1wwd n GLY 33 N 2.97 3.94 3.62 5.54 0.00 -0.50 -4.95 105.19 115.82 1wwd n GLY 33 Ca 0.07 -0.72 -0.25 0.00 0.00 0.00 0.00 46.02 45.12 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 2.68 0.39 1.61 -3.43 -1.25 -4.99 115.29 110.30 1wwd s HIS 34 Ca 0.00 -0.22 -0.04 0.00 -0.80 0.00 0.00 55.06 54.00 1wwd s HIS 34 Cb 0.00 -1.24 -0.04 0.00 -1.43 0.00 0.00 32.58 29.87 1wwd s HIS 34 CO 0.00 0.58 0.66 -1.58 -2.00 0.00 0.00 174.74 172.40 1wwd s TRP 35 N -2.06 3.52 0.42 0.38 0.52 -1.26 -2.51 118.94 117.94 1wwd s TRP 35 Ca 0.29 0.67 0.08 0.00 0.02 0.00 0.00 56.10 57.16 1wwd s TRP 35 Cb -0.07 -2.15 0.91 0.00 -1.15 0.00 0.00 33.47 31.00 1wwd s TRP 35 CO 0.18 -0.04 2.07 0.00 0.02 0.00 0.00 176.95 179.18 1wwd h ALA 36 N 0.83 1.74 0.00 0.98 0.00 -1.90 0.46 119.26 121.38 1wwd h ALA 36 Ca -0.48 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1wwd h ALA 36 Cb 1.20 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.85 1wwd h ALA 36 CO 0.63 0.23 0.00 1.63 0.00 0.00 0.00 179.25 181.74 1wwd n LYS 37 N -4.48 0.00 -0.54 0.00 4.01 -1.26 -1.37 118.16 114.52 1wwd n LYS 37 Ca 0.03 0.31 0.05 0.00 -0.51 0.00 0.00 58.31 58.19 1wwd n LYS 37 Cb 0.07 -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 -1.50 1.29 -4.73 4.39 -0.08 0.14 -5.06 116.55 111.01 1wwd n ASP 38 Ca 0.03 -2.73 -0.42 0.00 -1.51 0.00 0.00 54.79 50.16 1wwd n ASP 38 Cb 0.13 -0.36 -0.03 0.00 2.34 0.00 0.00 41.12 43.20 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 3.25 0.75 0.05 0.00 -0.04 -1.26 -2.07 135.00 135.67 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 0.41 -1.46 -0.08 0.00 -0.04 0.00 0.00 33.50 32.32 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 -0.96 0.63 -1.62 0.54 4.81 -1.26 -4.87 118.16 115.43 1wwd n LYS 41 Ca 0.17 -0.03 -0.43 0.00 -0.87 0.00 0.00 58.31 57.15 1wwd n LYS 41 Cb 0.08 -1.68 -0.03 0.00 0.02 0.00 0.00 35.03 33.41 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 3.21 -0.96 1.64 1.02 -0.88 -4.82 119.74 115.53 1wwd s LYS 42 Ca -0.04 2.06 -0.07 0.00 0.02 0.00 0.00 55.97 57.94 1wwd s LYS 42 Cb 0.12 -4.36 -0.10 0.00 -0.52 0.00 0.00 37.83 32.97 1wwd s LYS 42 CO 0.85 -2.02 2.56 -0.35 -0.92 0.00 0.00 175.35 175.47 1wwd n PRO 43 N 8.66 2.51 -3.01 -1.68 -0.04 -1.26 -4.65 135.00 135.54 1wwd n PRO 43 Ca 0.29 -1.56 -0.04 0.00 -0.04 0.00 0.00 63.50 62.15 1wwd n PRO 43 Cb 0.45 -2.45 0.00 0.00 -0.04 0.00 0.00 33.50 31.46 1wwd n PRO 43 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 1wwd n ARG 44 N 3.65 -1.86 -3.85 0.54 0.63 -1.26 -5.02 116.66 109.49 1wwd n ARG 44 Ca 0.54 1.73 0.03 0.00 -0.92 0.00 0.00 57.85 59.23 1wwd n ARG 44 Cb 0.28 -3.18 0.01 0.00 0.45 0.00 0.00 32.46 30.02 1wwd n ARG 44 CO 0.00 0.00 0.00 0.20 -2.51 0.00 0.00 177.63 175.32 1wwd s GLY 45 N -1.42 -0.26 0.50 5.14 0.00 -1.26 -4.52 107.32 105.50 1wwd s GLY 45 Ca 0.06 0.33 -0.19 0.00 0.00 0.00 0.00 44.72 44.91 1wwd s GLY 45 CO 0.45 3.83 1.04 2.56 0.00 0.00 0.00 173.10 180.98 1wwd s PRO 46 N -2.11 3.74 -0.11 2.90 0.04 -1.26 -5.07 135.00 133.14 1wwd s PRO 46 Ca 0.24 1.32 -0.05 0.00 0.04 0.00 0.00 61.00 62.56 1wwd s PRO 46 Cb 0.02 -2.09 0.05 0.00 0.04 0.00 0.00 34.50 32.52 1wwd s PRO 46 CO -0.03 -0.48 0.25 0.50 0.04 0.00 0.00 177.00 177.29 1wwd s ARG 47 N -3.38 0.20 0.00 4.56 3.00 -1.26 -5.08 118.95 116.99 1wwd s ARG 47 Ca 0.66 0.57 0.00 0.00 -1.00 0.00 0.00 55.73 55.96 1wwd s ARG 47 Cb -0.16 -0.11 0.00 0.00 0.00 0.00 0.00 34.95 34.68 1wwd s ARG 47 CO 0.23 -0.18 0.00 0.41 0.00 0.00 0.00 175.30 175.75 1wwd n GLY 48 N 4.40 -3.07 3.79 8.12 0.00 -1.26 -5.05 105.19 112.12 1wwd n GLY 48 Ca -0.22 -0.83 -0.29 0.00 0.00 0.00 0.00 46.02 44.68 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 -3.01 1.19 -0.07 1.61 0.04 -1.26 -4.96 135.00 128.54 1wwd s PRO 49 Ca 0.00 0.31 -0.30 0.00 0.04 0.00 0.00 61.00 61.06 1wwd s PRO 49 Cb 0.00 -1.84 -0.05 0.00 0.04 0.00 0.00 34.50 32.65 1wwd s PRO 49 CO 0.00 -2.16 1.57 0.50 0.04 0.00 0.00 177.00 176.94 1wwd s ARG 50 N -5.27 4.20 1.03 4.56 3.00 -1.26 -5.00 118.95 120.21 1wwd s ARG 50 Ca 0.64 2.09 -0.16 0.00 -1.00 0.00 0.00 55.73 57.29 1wwd s ARG 50 Cb -0.15 -3.91 0.21 0.00 0.00 0.00 0.00 34.95 31.11 1wwd s ARG 50 CO 0.53 -0.80 1.20 -1.25 0.00 0.00 0.00 175.30 174.98 1wwd s PRO 51 N 3.79 0.12 -0.28 5.12 0.04 -1.26 -4.71 135.00 137.81 1wwd s PRO 51 Ca 0.69 -0.10 -0.00 0.00 0.04 0.00 0.00 61.00 61.63 1wwd s PRO 51 Cb -0.31 -1.76 0.00 0.00 0.04 0.00 0.00 34.50 32.47 1wwd s PRO 51 CO 0.27 -2.81 0.01 0.94 0.04 0.00 0.00 177.00 175.45 1wwd n GLN 52 N -4.12 -3.18 -3.68 4.56 7.27 -1.26 -5.06 117.38 111.92 1wwd n GLN 52 Ca 0.12 2.59 -0.13 0.00 0.07 0.00 0.00 57.00 59.65 1wwd n GLN 52 Cb 0.59 -4.97 -0.08 0.00 2.41 0.00 0.00 30.24 28.19 1wwd n GLN 52 CO 0.00 0.00 0.00 0.99 0.07 0.00 0.00 177.06 178.12 1wwd s THR 53 N -1.60 -0.00 -0.21 1.69 2.01 -1.26 -5.15 115.64 111.12 1wwd s THR 53 Ca 0.01 0.00 -0.05 0.00 0.31 0.00 0.00 61.69 61.96 1wwd s THR 53 Cb -0.00 -0.81 -0.02 0.00 0.01 0.00 0.00 72.50 71.68 1wwd s THR 53 CO 0.71 0.00 0.00 -0.44 -0.69 0.00 0.00 174.62 174.20 1wwd s SER 54 N 0.44 4.74 -0.03 3.53 0.01 -1.26 -5.08 113.70 116.04 1wwd s SER 54 Ca -0.01 -0.25 -0.11 0.00 1.31 0.00 0.00 55.95 56.89 1wwd s SER 54 Cb -0.04 -1.82 0.02 0.00 0.21 0.00 0.00 66.02 64.39 1wwd s SER 54 CO -0.01 0.02 0.24 -0.22 0.41 0.00 0.00 173.24 173.69 1wwd s LEU 55 N 1.24 1.11 0.00 2.44 2.96 -1.26 -4.46 118.68 120.71 1wwd s LEU 55 Ca 0.03 0.11 0.00 0.00 -0.22 0.00 0.00 54.13 54.06 1wwd s LEU 55 Cb -0.15 0.99 0.00 0.00 0.50 0.00 0.00 46.19 47.53 1wwd s LEU 55 CO 0.01 -0.33 0.00 -0.11 -1.32 0.00 0.00 176.35 174.60