#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 4.31 -0.05 0.00 -1.32 -1.26 -5.06 115.64 112.26 1wwd s THR 2 Ca 0.00 -0.66 -0.03 0.00 -1.21 0.00 0.00 61.69 59.80 1wwd s THR 2 Cb 0.00 -3.27 0.03 0.00 -1.51 0.00 0.00 72.50 67.75 1wwd s THR 2 CO 0.00 -0.01 0.12 0.54 -2.21 0.00 0.00 174.62 173.06 1wwd s VAL 3 N 1.55 -0.04 -0.06 5.08 0.11 -1.26 -5.14 120.40 120.63 1wwd s VAL 3 Ca 0.03 0.14 0.00 0.00 -2.93 0.00 0.00 61.98 59.22 1wwd s VAL 3 Cb -0.18 -0.20 0.02 0.00 -1.53 0.00 0.00 36.38 34.50 1wwd s VAL 3 CO 0.05 0.06 -0.04 0.68 -3.33 0.00 0.00 175.10 172.51 1wwd s VAL 4 N 0.89 0.60 -0.10 2.04 -7.23 -1.26 -5.12 120.40 110.22 1wwd s VAL 4 Ca -0.07 -0.10 -0.00 0.00 -1.81 0.00 0.00 61.98 60.00 1wwd s VAL 4 Cb -0.09 -0.66 0.02 0.00 0.56 0.00 0.00 36.38 36.21 1wwd s VAL 4 CO -0.04 0.27 -0.07 -0.94 -0.31 0.00 0.00 175.10 174.01 1wwd s SER 5 N 1.33 1.97 0.00 4.85 1.04 -1.26 -5.10 113.70 116.54 1wwd s SER 5 Ca -0.04 -0.26 0.00 0.00 0.48 0.00 0.00 55.95 56.13 1wwd s SER 5 Cb -0.14 -0.76 0.00 0.00 0.10 0.00 0.00 66.02 65.22 1wwd s SER 5 CO -0.02 -0.10 0.00 0.61 0.98 0.00 0.00 173.24 174.70 1wwd n GLY 6 N 4.76 3.10 3.21 7.32 0.00 -1.26 -5.17 105.19 117.14 1wwd n GLY 6 Ca -0.14 -0.05 -0.11 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.61 0.34 -0.03 1.61 2.00 -1.26 -5.13 119.66 116.59 1wwd s GLN 7 Ca 0.00 0.66 -0.30 0.00 -2.00 0.00 0.00 55.36 53.72 1wwd s GLN 7 Cb 0.00 -0.01 -0.05 0.00 0.80 0.00 0.00 33.01 33.75 1wwd s GLN 7 CO 0.00 -0.14 1.43 -1.59 -0.50 0.00 0.00 175.29 174.48 1wwd s LYS 8 N 1.15 4.26 1.01 1.67 -2.85 -1.26 -4.99 119.74 118.73 1wwd s LYS 8 Ca -0.08 1.97 -0.12 0.00 -1.00 0.00 0.00 55.97 56.74 1wwd s LYS 8 Cb -0.08 -3.66 0.20 0.00 -2.06 0.00 0.00 37.83 32.23 1wwd s LYS 8 CO -0.09 -0.63 1.08 1.14 0.10 0.00 0.00 175.35 176.94 1wwd s GLN 9 N 2.77 0.32 -0.27 1.78 -2.07 -1.26 -5.06 119.66 115.87 1wwd s GLN 9 Ca 0.64 0.70 -0.31 0.00 -1.82 0.00 0.00 55.36 54.57 1wwd s GLN 9 Cb -0.31 -1.71 0.18 0.00 -1.09 0.00 0.00 33.01 30.08 1wwd s GLN 9 CO 0.26 -2.85 1.33 0.34 -1.32 0.00 0.00 175.29 173.04 1wwd s ASP 10 N -3.20 -0.06 -0.34 12.60 3.68 -1.26 -5.08 116.67 123.00 1wwd s ASP 10 Ca 0.66 0.05 0.05 0.00 2.13 0.00 0.00 52.55 55.44 1wwd s ASP 10 Cb -0.20 0.05 0.17 0.00 -1.45 0.00 0.00 42.92 41.50 1wwd s ASP 10 CO 0.59 -0.07 0.50 -0.60 0.13 0.00 0.00 175.17 175.73 1wwd s ARG 11 N -1.29 0.61 -0.30 4.34 6.06 -1.26 -5.13 118.95 121.99 1wwd s ARG 11 Ca 0.09 -0.10 -0.17 0.00 -2.50 0.00 0.00 55.73 53.04 1wwd s ARG 11 Cb -0.01 -0.16 0.19 0.00 0.06 0.00 0.00 34.95 35.03 1wwd s ARG 11 CO -0.06 -1.12 1.22 -1.14 -2.50 0.00 0.00 175.30 171.70 1wwd s GLN 12 N 2.17 0.13 0.14 5.12 -0.44 -1.26 -5.19 119.66 120.33 1wwd s GLN 12 Ca 0.13 0.21 -0.05 0.00 -2.50 0.00 0.00 55.36 53.15 1wwd s GLN 12 Cb -0.10 0.03 -0.02 0.00 -1.64 0.00 0.00 33.01 31.28 1wwd s GLN 12 CO -0.17 -0.02 0.16 0.20 0.50 0.00 0.00 175.29 175.96 1wwd s GLY 13 N 0.94 0.67 0.00 2.59 0.00 -1.26 -5.11 107.32 105.15 1wwd s GLY 13 Ca -0.06 -1.14 0.00 0.00 0.00 0.00 0.00 44.72 43.52 1wwd s GLY 13 CO -0.11 -1.09 0.00 0.61 0.00 0.00 0.00 173.10 172.51 1wwd n GLY 14 N -0.14 -2.01 1.07 0.20 0.00 -1.26 -5.05 105.19 98.00 1wwd n GLY 14 Ca -0.07 0.96 0.00 0.00 0.00 0.00 0.00 46.02 46.90 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 0.00 0.00 -3.17 1.61 0.00 -1.26 -5.09 120.64 112.73 1wwd n GLU 15 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 57.16 56.99 1wwd n GLU 15 Cb 0.00 0.00 0.01 0.00 0.00 0.00 0.00 31.44 31.45 1wwd n GLU 15 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 1wwd n ARG 16 N -2.63 -1.98 0.00 5.31 1.74 -1.26 -5.01 116.66 112.83 1wwd n ARG 16 Ca 0.00 1.68 0.00 0.00 -0.77 0.00 0.00 57.85 58.76 1wwd n ARG 16 Cb 0.00 -4.37 0.00 0.00 -1.02 0.00 0.00 32.46 27.07 1wwd n ARG 16 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1wwd n ARG 17 N -0.80 0.00 -3.46 5.56 1.74 -1.26 -5.09 116.66 113.36 1wwd n ARG 17 Ca -0.01 0.00 -0.34 0.00 -0.77 0.00 0.00 57.85 56.73 1wwd n ARG 17 Cb 0.55 0.00 -0.06 0.00 -1.02 0.00 0.00 32.46 31.94 1wwd n ARG 17 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1wwd n ARG 18 N 0.00 2.96 -1.52 5.56 1.74 -1.26 -5.02 116.66 119.13 1wwd n ARG 18 Ca 0.00 -4.56 -0.34 0.00 -0.77 0.00 0.00 57.85 52.18 1wwd n ARG 18 Cb 0.00 -2.38 -0.12 0.00 -1.02 0.00 0.00 32.46 28.94 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 1.65 0.80 -3.07 0.55 7.64 -1.26 -1.41 113.62 118.52 1wwd n SER 19 Ca 0.25 -0.28 -0.14 0.00 1.01 0.00 0.00 58.87 59.70 1wwd n SER 19 Cb 0.37 -1.14 -0.03 0.00 -1.01 0.00 0.00 64.21 62.41 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 8.27 -2.11 -1.71 1.43 -0.06 -1.26 -4.66 117.38 117.28 1wwd n GLN 20 Ca 0.56 0.05 -0.18 0.00 -2.00 0.00 0.00 57.00 55.43 1wwd n GLN 20 Cb 0.24 -4.28 -0.09 0.00 -4.06 0.00 0.00 30.24 22.04 1wwd n GLN 20 CO 0.00 0.00 0.00 -1.17 -0.20 0.00 0.00 177.06 175.69 1wwd s LEU 21 N -5.45 2.66 0.70 1.69 0.20 -0.50 -4.89 118.68 113.10 1wwd s LEU 21 Ca 0.28 -0.82 -0.16 0.00 0.69 0.00 0.00 54.13 54.11 1wwd s LEU 21 Cb -0.16 -2.58 -0.05 0.00 -0.43 0.00 0.00 46.19 42.97 1wwd s LEU 21 CO 0.34 -4.12 0.51 -0.67 -0.29 0.00 0.00 176.35 172.12 1wwd n ASP 22 N 18.14 -1.25 0.00 3.68 -0.08 -1.26 -4.80 116.55 130.98 1wwd n ASP 22 Ca 0.43 0.61 0.06 0.00 -1.51 0.00 0.00 54.79 54.38 1wwd n ASP 22 Cb 0.46 -1.20 0.28 0.00 2.34 0.00 0.00 41.12 42.99 1wwd n ASP 22 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 1wwd n ARG 23 N -0.58 0.09 -0.41 -0.67 5.12 -1.26 -1.39 116.66 117.57 1wwd n ARG 23 Ca 0.10 0.23 0.05 0.00 -1.93 0.00 0.00 57.85 56.31 1wwd n ARG 23 Cb 0.50 -1.50 0.09 0.00 -1.16 0.00 0.00 32.46 30.38 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 -1.38 1.33 -4.34 0.55 4.64 -1.26 -5.01 116.55 111.06 1wwd n ASP 24 Ca 0.04 -2.70 -0.36 0.00 -1.38 0.00 0.00 54.79 50.40 1wwd n ASP 24 Cb 0.11 -0.35 -0.13 0.00 -1.04 0.00 0.00 41.12 39.71 1wwd n ASP 24 CO 0.00 0.00 0.00 -1.10 -0.82 0.00 0.00 177.20 175.28 1wwd s GLN 25 N -1.64 3.35 0.25 -0.67 -0.21 -0.48 -0.96 119.66 119.29 1wwd s GLN 25 Ca 0.21 -0.66 -0.30 0.00 0.02 0.00 0.00 55.36 54.63 1wwd s GLN 25 Cb 0.20 -3.16 -0.14 0.00 1.00 0.00 0.00 33.01 30.91 1wwd s GLN 25 CO -0.01 -0.26 1.28 0.00 -2.12 0.00 0.00 175.29 174.18 1wwd n ALA 27 N 1.30 5.56 0.09 0.00 0.00 -1.26 -3.08 120.51 123.12 1wwd n ALA 27 Ca 0.11 -3.16 0.00 0.00 0.00 0.00 0.00 53.44 50.39 1wwd n ALA 27 Cb 0.31 -1.35 0.00 0.00 0.00 0.00 0.00 19.45 18.41 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 -1.06 -1.21 0.12 0.00 9.36 -1.26 -4.88 117.16 118.23 1wwd n TYR 28 Ca 0.55 0.21 0.11 0.00 3.32 0.00 0.00 57.90 62.09 1wwd n TYR 28 Cb 1.25 0.31 -0.16 0.00 -0.63 0.00 0.00 39.34 40.10 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 -2.15 0.00 -2.86 0.00 5.02 -1.18 -5.03 118.16 111.96 1wwd n LYS 30 Ca -0.03 0.27 -0.42 0.00 -2.02 0.00 0.00 58.31 56.11 1wwd n LYS 30 Cb 0.53 -2.26 -0.04 0.00 -0.02 0.00 0.00 35.03 33.24 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 -1.24 4.31 -0.36 1.97 2.56 -1.26 -4.68 118.70 120.00 1wwd s GLU 31 Ca 0.00 1.07 -0.24 0.00 0.00 0.00 0.00 54.97 55.80 1wwd s GLU 31 Cb 0.00 -3.57 0.01 0.00 2.00 0.00 0.00 34.13 32.56 1wwd s GLU 31 CO 0.00 -0.34 0.81 0.21 -0.56 0.00 0.00 175.26 175.38 1wwd s LYS 32 N 2.19 3.79 0.00 4.30 2.20 -1.26 -0.05 119.74 130.91 1wwd s LYS 32 Ca 0.39 0.39 0.00 0.00 -0.36 0.00 0.00 55.97 56.39 1wwd s LYS 32 Cb -0.17 -3.80 0.00 0.00 -1.51 0.00 0.00 37.83 32.35 1wwd s LYS 32 CO 0.13 -0.85 0.00 0.41 -0.36 0.00 0.00 175.35 174.68 1wwd n GLY 33 N 4.47 2.91 3.75 5.54 0.00 -0.14 -4.97 105.19 116.75 1wwd n GLY 33 Ca 0.04 -0.40 -0.26 0.00 0.00 0.00 0.00 46.02 45.40 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 3.03 0.58 1.61 -3.43 -1.26 -4.98 115.29 110.85 1wwd s HIS 34 Ca 0.00 -0.07 -0.05 0.00 -0.80 0.00 0.00 55.06 54.15 1wwd s HIS 34 Cb 0.00 -1.45 0.01 0.00 -1.43 0.00 0.00 32.58 29.71 1wwd s HIS 34 CO 0.00 0.52 0.88 -1.58 -2.00 0.00 0.00 174.74 172.56 1wwd s TRP 35 N -1.77 3.21 0.29 0.38 0.52 -1.26 -2.91 118.94 117.40 1wwd s TRP 35 Ca 0.30 0.55 -0.02 0.00 0.02 0.00 0.00 56.10 56.95 1wwd s TRP 35 Cb -0.10 -2.72 0.44 0.00 -1.15 0.00 0.00 33.47 29.94 1wwd s TRP 35 CO 0.22 -0.81 1.93 0.00 0.02 0.00 0.00 176.95 178.31 1wwd h ALA 36 N -0.13 1.42 0.00 0.98 0.00 -1.92 0.57 119.26 120.19 1wwd h ALA 36 Ca -0.45 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1wwd h ALA 36 Cb 1.26 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.73 1wwd h ALA 36 CO 0.60 0.49 0.00 1.63 0.00 0.00 0.00 179.25 181.97 1wwd n LYS 37 N -4.44 0.11 -0.15 0.00 4.76 -1.26 -1.35 118.16 115.83 1wwd n LYS 37 Ca 0.12 0.20 0.07 0.00 -2.87 0.00 0.00 58.31 55.83 1wwd n LYS 37 Cb 0.10 -1.50 0.10 0.00 -1.84 0.00 0.00 35.03 31.89 1wwd n LYS 37 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 1wwd n ASP 38 N -1.38 1.82 -4.66 4.39 -0.08 0.17 -5.00 116.55 111.80 1wwd n ASP 38 Ca 0.05 -2.77 -0.43 0.00 -1.51 0.00 0.00 54.79 50.14 1wwd n ASP 38 Cb 0.14 -0.35 -0.02 0.00 2.34 0.00 0.00 41.12 43.23 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 6.68 0.75 0.09 0.00 -0.04 -1.26 -2.11 135.00 139.11 1wwd n PRO 40 Ca 0.15 0.00 0.11 0.00 -0.04 0.00 0.00 63.50 63.72 1wwd n PRO 40 Cb 0.44 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.38 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 -1.00 0.61 -4.03 0.54 4.81 -1.26 -4.89 118.16 112.94 1wwd n LYS 41 Ca 0.18 0.10 -0.27 0.00 -0.87 0.00 0.00 58.31 57.44 1wwd n LYS 41 Cb 0.08 -1.80 -0.05 0.00 0.02 0.00 0.00 35.03 33.28 1wwd n LYS 41 CO 0.00 0.00 0.00 -1.59 1.17 0.00 0.00 177.40 176.98 1wwd s LYS 42 N -3.36 3.05 -0.05 1.64 -2.85 -0.90 -5.06 119.74 112.22 1wwd s LYS 42 Ca -0.01 -0.74 -0.07 0.00 -1.00 0.00 0.00 55.97 54.14 1wwd s LYS 42 Cb 0.10 -2.76 -0.04 0.00 -2.06 0.00 0.00 37.83 33.07 1wwd s LYS 42 CO 0.80 0.52 0.35 -1.00 0.10 0.00 0.00 175.35 176.12 1wwd h PRO 43 N 2.58 -0.25 0.00 1.78 0.13 -1.90 -3.46 132.00 130.88 1wwd h PRO 43 Ca -0.47 0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1wwd h PRO 43 Cb 1.19 0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.37 1wwd h PRO 43 CO 0.66 -0.16 0.00 0.54 -0.23 0.00 0.00 178.00 178.80 1wwd n ARG 44 N -4.29 0.00 -0.72 0.86 1.74 -1.26 -5.10 116.66 107.89 1wwd n ARG 44 Ca -0.03 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.05 1wwd n ARG 44 Cb 0.10 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.54 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 -0.00 0.36 0.06 -0.13 0.00 -1.26 -4.98 105.19 99.23 1wwd n GLY 45 Ca 0.00 -1.83 -0.02 0.00 0.00 0.00 0.00 46.02 44.17 1wwd n GLY 45 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wwd h PRO 46 N 5.18 -0.11 -6.04 1.61 0.13 -2.00 -3.49 132.00 127.28 1wwd h PRO 46 Ca 0.00 0.01 -0.02 0.00 -0.87 0.00 0.00 66.00 65.12 1wwd h PRO 46 Cb 0.00 0.03 0.00 0.00 0.13 0.00 0.00 31.00 31.16 1wwd h PRO 46 CO 0.00 -0.07 -1.00 0.54 -0.23 0.00 0.00 178.00 177.23 1wwd n ARG 47 N -3.03 -1.23 -1.07 0.86 1.74 -1.26 -5.00 116.66 107.67 1wwd n ARG 47 Ca -0.01 1.35 0.00 0.00 -0.77 0.00 0.00 57.85 58.42 1wwd n ARG 47 Cb 0.05 -2.26 0.00 0.00 -1.02 0.00 0.00 32.46 29.22 1wwd n ARG 47 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1wwd n GLY 48 N 1.04 1.31 3.82 -0.13 0.00 -1.26 -5.17 105.19 104.79 1wwd n GLY 48 Ca -0.00 -0.82 -0.31 0.00 0.00 0.00 0.00 46.02 44.89 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 -1.08 2.74 0.06 1.61 0.04 -1.26 -5.08 135.00 132.03 1wwd s PRO 49 Ca 0.00 0.88 0.04 0.00 0.04 0.00 0.00 61.00 61.96 1wwd s PRO 49 Cb 0.00 -1.97 -0.03 0.00 0.04 0.00 0.00 34.50 32.54 1wwd s PRO 49 CO 0.00 -1.22 -0.13 1.03 0.04 0.00 0.00 177.00 176.73 1wwd s ARG 50 N -5.07 0.76 -1.00 4.56 3.00 -1.26 -5.07 118.95 114.86 1wwd s ARG 50 Ca 0.59 -0.86 -0.23 0.00 0.00 0.00 0.00 55.73 55.23 1wwd s ARG 50 Cb -0.14 -0.72 0.00 0.00 0.00 0.00 0.00 34.95 34.09 1wwd s ARG 50 CO 0.55 0.16 1.71 -1.25 0.00 0.00 0.00 175.30 176.47 1wwd s PRO 51 N -1.55 3.12 0.30 3.54 0.04 -1.26 -4.20 135.00 134.98 1wwd s PRO 51 Ca -0.03 -0.85 0.00 0.00 0.04 0.00 0.00 61.00 60.16 1wwd s PRO 51 Cb -0.09 -5.24 0.00 0.00 0.04 0.00 0.00 34.50 29.20 1wwd s PRO 51 CO 0.02 -2.82 0.00 1.04 0.04 0.00 0.00 177.00 175.27 1wwd n GLN 52 N 8.80 0.00 -2.00 4.56 3.00 -1.26 -5.09 117.38 125.38 1wwd n GLN 52 Ca 0.38 0.00 -0.42 0.00 -0.01 0.00 0.00 57.00 56.95 1wwd n GLN 52 Cb 0.49 0.00 -0.03 0.00 0.00 0.00 0.00 30.24 30.70 1wwd n GLN 52 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.06 176.98 1wwd s THR 53 N -2.00 2.92 -0.11 5.09 -1.32 -1.26 -5.00 115.64 113.96 1wwd s THR 53 Ca 0.00 0.60 -0.04 0.00 -1.21 0.00 0.00 61.69 61.04 1wwd s THR 53 Cb 0.00 -3.39 -0.04 0.00 -1.51 0.00 0.00 72.50 67.57 1wwd s THR 53 CO 0.00 0.03 0.04 -0.55 -2.21 0.00 0.00 174.62 171.93 1wwd s SER 54 N 1.43 5.52 0.34 8.08 0.15 -1.26 -5.11 113.70 122.85 1wwd s SER 54 Ca 0.69 0.20 0.04 0.00 0.70 0.00 0.00 55.95 57.57 1wwd s SER 54 Cb -0.41 -1.68 -0.06 0.00 -1.71 0.00 0.00 66.02 62.16 1wwd s SER 54 CO 0.31 0.35 0.06 -0.76 1.20 0.00 0.00 173.24 174.40 1wwd s LEU 55 N -0.70 2.18 0.00 3.45 2.01 -1.26 -5.31 118.68 119.05 1wwd s LEU 55 Ca 0.11 -1.42 0.00 0.00 0.01 0.00 0.00 54.13 52.84 1wwd s LEU 55 Cb -0.12 -0.37 0.00 0.00 0.01 0.00 0.00 46.19 45.71 1wwd s LEU 55 CO 0.02 -0.65 0.00 0.18 1.01 0.00 0.00 176.35 176.92