#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 -0.29 0.00 -1.32 -1.26 -5.16 115.64 107.61 1wwd s THR 2 Ca 0.00 0.00 -0.22 0.00 -1.21 0.00 0.00 61.69 60.26 1wwd s THR 2 Cb 0.00 -1.00 0.14 0.00 -1.51 0.00 0.00 72.50 70.13 1wwd s THR 2 CO 0.00 0.00 1.07 0.54 -2.21 0.00 0.00 174.62 174.02 1wwd s VAL 3 N 0.63 0.00 -0.06 5.08 0.11 -1.26 -5.15 120.40 119.74 1wwd s VAL 3 Ca -0.02 0.00 -0.01 0.00 -2.93 0.00 0.00 61.98 59.02 1wwd s VAL 3 Cb -0.05 -1.00 0.03 0.00 -1.53 0.00 0.00 36.38 33.83 1wwd s VAL 3 CO -0.05 0.00 0.01 0.54 -3.33 0.00 0.00 175.10 172.27 1wwd s VAL 4 N 0.59 0.27 0.21 2.04 0.11 -1.26 -5.14 120.40 117.22 1wwd s VAL 4 Ca -0.01 0.18 0.06 0.00 -2.93 0.00 0.00 61.98 59.28 1wwd s VAL 4 Cb -0.04 -0.44 -0.03 0.00 -1.53 0.00 0.00 36.38 34.33 1wwd s VAL 4 CO -0.10 0.24 0.23 -0.94 -3.33 0.00 0.00 175.10 171.19 1wwd s SER 5 N 1.92 5.80 1.10 3.54 1.04 -1.26 -5.12 113.70 120.73 1wwd s SER 5 Ca 0.04 -0.10 -0.07 0.00 0.48 0.00 0.00 55.95 56.30 1wwd s SER 5 Cb -0.12 -1.58 0.10 0.00 0.10 0.00 0.00 66.02 64.52 1wwd s SER 5 CO -0.04 -0.01 0.34 0.61 0.98 0.00 0.00 173.24 175.12 1wwd n GLY 6 N -0.94 -2.84 3.45 7.32 0.00 -1.26 -5.09 105.19 105.83 1wwd n GLY 6 Ca -0.08 -1.41 -0.09 0.00 0.00 0.00 0.00 46.02 44.43 1wwd n GLY 6 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1wwd s GLN 7 N -3.78 1.30 0.04 1.61 -0.21 -1.26 -5.17 119.66 112.19 1wwd s GLN 7 Ca 0.23 -1.03 0.07 0.00 0.02 0.00 0.00 55.36 54.64 1wwd s GLN 7 Cb -0.03 0.46 -0.02 0.00 1.00 0.00 0.00 33.01 34.42 1wwd s GLN 7 CO 0.18 -0.52 -0.19 0.15 -2.12 0.00 0.00 175.29 172.78 1wwd s LYS 8 N -3.93 1.30 0.38 2.91 1.02 -1.26 -5.15 119.74 115.02 1wwd s LYS 8 Ca 0.14 -0.87 0.06 0.00 0.02 0.00 0.00 55.97 55.31 1wwd s LYS 8 Cb 0.01 -1.38 -0.07 0.00 -0.52 0.00 0.00 37.83 35.86 1wwd s LYS 8 CO -0.00 0.35 0.03 1.14 -0.92 0.00 0.00 175.35 175.94 1wwd s GLN 9 N -1.09 1.87 0.00 1.68 1.03 -1.26 -5.09 119.66 116.80 1wwd s GLN 9 Ca 0.06 -2.05 0.00 0.00 0.04 0.00 0.00 55.36 53.41 1wwd s GLN 9 Cb -0.08 -1.39 0.00 0.00 0.03 0.00 0.00 33.01 31.56 1wwd s GLN 9 CO 0.01 -0.10 0.00 -0.40 -2.54 0.00 0.00 175.29 172.27 1wwd n ASP 10 N -0.88 0.00 -4.96 12.60 5.68 -1.26 -5.17 116.55 122.55 1wwd n ASP 10 Ca -0.04 0.00 -0.22 0.00 -0.50 0.00 0.00 54.79 54.03 1wwd n ASP 10 Cb 0.67 0.00 0.01 0.00 -1.14 0.00 0.00 41.12 40.66 1wwd n ASP 10 CO 0.00 0.00 0.00 -0.13 -1.33 0.00 0.00 177.20 175.74 1wwd s ARG 11 N -2.00 3.05 -0.17 0.11 3.00 -1.26 -4.83 118.95 116.85 1wwd s ARG 11 Ca 0.00 -0.58 -0.06 0.00 0.00 0.00 0.00 55.73 55.09 1wwd s ARG 11 Cb 0.00 -2.60 0.02 0.00 0.00 0.00 0.00 34.95 32.38 1wwd s ARG 11 CO 0.00 -0.24 0.12 0.94 0.00 0.00 0.00 175.30 176.12 1wwd n GLN 12 N -2.02 -3.13 -2.91 3.54 -0.06 -1.26 -5.08 117.38 106.46 1wwd n GLN 12 Ca 0.01 2.53 0.04 0.00 -2.00 0.00 0.00 57.00 57.58 1wwd n GLN 12 Cb 0.58 -4.11 0.00 0.00 -4.06 0.00 0.00 30.24 22.65 1wwd n GLN 12 CO 0.00 0.00 0.00 0.20 -0.20 0.00 0.00 177.06 177.06 1wwd s GLY 13 N -0.76 -1.21 0.00 1.69 0.00 -1.26 -5.02 107.32 100.76 1wwd s GLY 13 Ca -0.14 1.98 0.00 0.00 0.00 0.00 0.00 44.72 46.57 1wwd s GLY 13 CO 0.59 4.34 0.00 0.61 0.00 0.00 0.00 173.10 178.64 1wwd n GLY 14 N 4.29 -0.54 1.31 0.20 0.00 -1.26 -4.25 105.19 104.95 1wwd n GLY 14 Ca 0.08 0.59 0.17 0.00 0.00 0.00 0.00 46.02 46.86 1wwd n GLY 14 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1wwd n GLU 15 N 0.00 -2.83 -1.62 1.61 1.02 -1.26 -4.48 120.64 113.09 1wwd n GLU 15 Ca 0.00 2.09 0.00 0.00 -0.02 0.00 0.00 57.16 59.23 1wwd n GLU 15 Cb 0.00 -3.38 0.00 0.00 -0.02 0.00 0.00 31.44 28.04 1wwd n GLU 15 CO 0.00 0.00 0.00 -2.13 1.18 0.00 0.00 177.13 176.18 1wwd n ARG 16 N -4.13 -4.37 -3.39 3.49 0.63 -1.26 -5.01 116.66 102.63 1wwd n ARG 16 Ca -0.03 3.17 -0.19 0.00 -0.92 0.00 0.00 57.85 59.87 1wwd n ARG 16 Cb 0.61 -3.41 -0.01 0.00 0.45 0.00 0.00 32.46 30.10 1wwd n ARG 16 CO 0.00 0.00 0.00 0.50 -2.51 0.00 0.00 177.63 175.62 1wwd s ARG 17 N -1.92 2.75 -1.12 -0.14 6.06 -1.26 -5.03 118.95 118.28 1wwd s ARG 17 Ca 0.00 -1.32 -0.03 0.00 -2.50 0.00 0.00 55.73 51.88 1wwd s ARG 17 Cb 0.00 -2.59 0.26 0.00 0.06 0.00 0.00 34.95 32.68 1wwd s ARG 17 CO 0.00 -0.14 1.90 0.54 -2.50 0.00 0.00 175.30 175.10 1wwd n ARG 18 N -1.64 4.97 -1.50 5.12 1.74 -1.26 -4.97 116.66 119.12 1wwd n ARG 18 Ca 0.04 -4.30 -0.36 0.00 -0.77 0.00 0.00 57.85 52.46 1wwd n ARG 18 Cb 0.60 -2.54 -0.16 0.00 -1.02 0.00 0.00 32.46 29.33 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 0.85 0.02 -4.28 0.55 7.64 -1.26 -0.34 113.62 116.80 1wwd n SER 19 Ca 0.46 -0.06 -0.36 0.00 1.01 0.00 0.00 58.87 59.93 1wwd n SER 19 Cb 0.28 -0.88 -0.08 0.00 -1.01 0.00 0.00 64.21 62.52 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 7.84 -0.81 -1.97 1.43 6.02 -1.26 -4.71 117.38 123.92 1wwd n GLN 20 Ca 0.65 0.11 -0.31 0.00 -0.01 0.00 0.00 57.00 57.44 1wwd n GLN 20 Cb 0.09 -4.00 -0.04 0.00 1.02 0.00 0.00 30.24 27.31 1wwd n GLN 20 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 1wwd s LEU 21 N -6.90 3.21 0.37 1.08 0.20 0.54 -4.92 118.68 112.25 1wwd s LEU 21 Ca 0.49 -0.10 -0.27 0.00 0.69 0.00 0.00 54.13 54.94 1wwd s LEU 21 Cb -0.29 -2.54 -0.11 0.00 -0.43 0.00 0.00 46.19 42.81 1wwd s LEU 21 CO 0.95 -2.70 1.34 0.47 -0.29 0.00 0.00 176.35 176.12 1wwd n ASP 22 N 14.01 3.01 0.00 3.68 8.00 -1.26 -4.82 116.55 139.17 1wwd n ASP 22 Ca 0.33 1.19 0.05 0.00 0.71 0.00 0.00 54.79 57.07 1wwd n ASP 22 Cb 0.49 -1.53 0.24 0.00 -0.02 0.00 0.00 41.12 40.30 1wwd n ASP 22 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1wwd n ARG 23 N 0.41 0.07 -0.63 -1.24 5.12 -1.26 -1.23 116.66 117.90 1wwd n ARG 23 Ca 0.04 0.26 0.06 0.00 -1.93 0.00 0.00 57.85 56.28 1wwd n ARG 23 Cb 0.38 -1.50 0.13 0.00 -1.16 0.00 0.00 32.46 30.30 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 -1.40 1.51 -4.24 0.55 2.03 -1.26 -5.06 116.55 108.67 1wwd n ASP 24 Ca 0.04 -3.05 -0.20 0.00 0.52 0.00 0.00 54.79 52.09 1wwd n ASP 24 Cb 0.10 -0.41 0.01 0.00 -0.72 0.00 0.00 41.12 40.10 1wwd n ASP 24 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1wwd n GLN 25 N -0.73 0.83 -4.52 -0.67 6.02 -0.36 -1.24 117.38 116.71 1wwd n GLN 25 Ca 0.13 -2.68 -0.33 0.00 -0.01 0.00 0.00 57.00 54.11 1wwd n GLN 25 Cb 0.77 0.23 -0.16 0.00 1.02 0.00 0.00 30.24 32.10 1wwd n GLN 25 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1wwd n ALA 27 N 4.11 4.73 0.07 0.00 0.00 -1.26 -2.15 120.51 126.01 1wwd n ALA 27 Ca -0.19 -1.88 0.00 0.00 0.00 0.00 0.00 53.44 51.37 1wwd n ALA 27 Cb 0.52 -1.34 0.00 0.00 0.00 0.00 0.00 19.45 18.63 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 -0.33 -0.87 -0.00 0.00 9.36 -1.26 -4.88 117.16 119.17 1wwd n TYR 28 Ca 0.37 0.15 0.08 0.00 3.32 0.00 0.00 57.90 61.82 1wwd n TYR 28 Cb 1.02 0.27 -0.14 0.00 -0.63 0.00 0.00 39.34 39.86 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 -2.43 0.00 -2.98 0.00 5.02 -0.91 -5.06 118.16 111.80 1wwd n LYS 30 Ca -0.07 0.19 -0.33 0.00 -2.02 0.00 0.00 58.31 56.08 1wwd n LYS 30 Cb 0.66 -1.94 -0.07 0.00 -0.02 0.00 0.00 35.03 33.66 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 -1.35 4.12 -0.28 1.97 -6.30 -1.25 -4.71 118.70 110.90 1wwd s GLU 31 Ca 0.00 0.90 -0.06 0.00 -2.50 0.00 0.00 54.97 53.31 1wwd s GLU 31 Cb 0.00 -2.32 0.00 0.00 0.00 0.00 0.00 34.13 31.81 1wwd s GLU 31 CO 0.00 0.07 0.05 0.21 0.02 0.00 0.00 175.26 175.61 1wwd s LYS 32 N -3.05 3.16 0.00 4.30 2.20 -1.26 0.92 119.74 126.01 1wwd s LYS 32 Ca 0.58 -0.80 0.00 0.00 -0.36 0.00 0.00 55.97 55.39 1wwd s LYS 32 Cb -0.10 -3.28 0.00 0.00 -1.51 0.00 0.00 37.83 32.94 1wwd s LYS 32 CO 0.15 -0.38 0.00 0.41 -0.36 0.00 0.00 175.35 175.17 1wwd n GLY 33 N 4.84 3.81 3.80 5.54 0.00 -0.37 -5.01 105.19 117.80 1wwd n GLY 33 Ca -0.15 -0.60 -0.25 0.00 0.00 0.00 0.00 46.02 45.02 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 3.11 0.29 1.61 -3.43 -1.26 -4.90 115.29 110.71 1wwd s HIS 34 Ca 0.00 -0.06 -0.04 0.00 -0.80 0.00 0.00 55.06 54.16 1wwd s HIS 34 Cb 0.00 -1.46 -0.05 0.00 -1.43 0.00 0.00 32.58 29.65 1wwd s HIS 34 CO 0.00 0.52 0.55 -1.58 -2.00 0.00 0.00 174.74 172.23 1wwd s TRP 35 N -1.90 3.48 0.45 0.38 0.52 -1.26 -3.34 118.94 117.26 1wwd s TRP 35 Ca 0.31 0.60 0.11 0.00 0.02 0.00 0.00 56.10 57.14 1wwd s TRP 35 Cb -0.09 -2.07 1.01 0.00 -1.15 0.00 0.00 33.47 31.17 1wwd s TRP 35 CO 0.24 0.17 2.07 0.00 0.02 0.00 0.00 176.95 179.45 1wwd h ALA 36 N 1.59 1.86 0.00 0.98 0.00 -1.91 0.45 119.26 122.24 1wwd h ALA 36 Ca -0.48 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1wwd h ALA 36 Cb 1.19 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.88 1wwd h ALA 36 CO 0.66 0.10 0.00 1.63 0.00 0.00 0.00 179.25 181.64 1wwd n LYS 37 N -4.49 0.08 -1.53 0.00 4.01 -1.26 -1.33 118.16 113.64 1wwd n LYS 37 Ca 0.03 0.48 0.02 0.00 -0.51 0.00 0.00 58.31 58.32 1wwd n LYS 37 Cb 0.14 -1.71 0.07 0.00 -0.51 0.00 0.00 35.03 33.02 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 -1.87 1.54 -4.73 4.39 4.64 0.15 -5.08 116.55 115.59 1wwd n ASP 38 Ca 0.01 -2.58 -0.42 0.00 -1.38 0.00 0.00 54.79 50.42 1wwd n ASP 38 Cb 0.09 -0.39 -0.03 0.00 -1.04 0.00 0.00 41.12 39.75 1wwd n ASP 38 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 1wwd n PRO 40 N 3.20 0.75 0.05 0.00 -0.04 -1.26 -2.06 135.00 135.64 1wwd n PRO 40 Ca 0.07 0.00 0.11 0.00 -0.04 0.00 0.00 63.50 63.64 1wwd n PRO 40 Cb 0.44 -1.45 -0.07 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 -0.95 0.62 -1.86 0.54 4.81 -1.26 -4.88 118.16 115.18 1wwd n LYS 41 Ca 0.16 -0.02 -0.42 0.00 -0.87 0.00 0.00 58.31 57.16 1wwd n LYS 41 Cb 0.07 -1.69 -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 -3.43 3.92 0.02 1.64 1.02 -0.88 -4.94 119.74 117.10 1wwd s LYS 42 Ca -0.04 2.18 -0.30 0.00 0.02 0.00 0.00 55.97 57.83 1wwd s LYS 42 Cb 0.12 -4.11 -0.05 0.00 -0.52 0.00 0.00 37.83 33.27 1wwd s LYS 42 CO 0.84 -1.18 1.18 -1.25 -0.92 0.00 0.00 175.35 174.03 1wwd s PRO 43 N 4.67 4.41 -0.79 -1.68 0.04 -1.26 -4.98 135.00 135.42 1wwd s PRO 43 Ca 0.82 1.71 -0.20 0.00 0.04 0.00 0.00 61.00 63.37 1wwd s PRO 43 Cb -0.34 -3.43 0.11 0.00 0.04 0.00 0.00 34.50 30.88 1wwd s PRO 43 CO 0.34 -0.31 1.00 0.50 0.04 0.00 0.00 177.00 178.57 1wwd s ARG 44 N 1.47 3.37 0.39 4.56 3.52 -1.26 -4.93 118.95 126.06 1wwd s ARG 44 Ca 0.57 -1.44 0.00 0.00 -0.13 0.00 0.00 55.73 54.73 1wwd s ARG 44 Cb -0.27 -4.59 0.00 0.00 -1.56 0.00 0.00 34.95 28.53 1wwd s ARG 44 CO 0.27 -1.73 0.00 0.41 -0.81 0.00 0.00 175.30 173.43 1wwd n GLY 45 N 5.35 -2.12 3.78 8.12 0.00 -1.26 -4.99 105.19 114.07 1wwd n GLY 45 Ca 0.10 -1.11 -0.29 0.00 0.00 0.00 0.00 46.02 44.72 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 -2.57 0.90 0.49 1.61 0.04 -1.26 -5.10 135.00 129.10 1wwd s PRO 46 Ca 0.00 0.20 0.00 0.00 0.04 0.00 0.00 61.00 61.24 1wwd s PRO 46 Cb 0.00 -1.82 0.00 0.00 0.04 0.00 0.00 34.50 32.72 1wwd s PRO 46 CO 0.00 -2.34 0.00 0.54 0.04 0.00 0.00 177.00 175.24 1wwd n ARG 47 N -3.85 -2.72 -3.18 4.56 1.74 -1.26 -4.87 116.66 107.08 1wwd n ARG 47 Ca 0.08 2.17 -0.24 0.00 -0.77 0.00 0.00 57.85 59.10 1wwd n ARG 47 Cb 0.59 -3.20 -0.07 0.00 -1.02 0.00 0.00 32.46 28.77 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 -3.96 2.79 3.82 -0.13 0.00 -1.26 -5.03 105.19 101.41 1wwd n GLY 48 Ca -0.07 -1.53 -0.31 0.00 0.00 0.00 0.00 46.02 44.11 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 -1.13 3.07 -0.19 1.61 0.04 -1.26 -4.60 135.00 132.53 1wwd s PRO 49 Ca 0.35 1.01 -0.05 0.00 0.04 0.00 0.00 61.00 62.35 1wwd s PRO 49 Cb 0.17 -2.01 0.02 0.00 0.04 0.00 0.00 34.50 32.73 1wwd s PRO 49 CO -0.11 -1.00 0.10 -2.13 0.04 0.00 0.00 177.00 173.90 1wwd n ARG 50 N -2.81 -3.30 -0.03 4.56 0.63 -1.26 -4.95 116.66 109.49 1wwd n ARG 50 Ca 0.08 2.64 -0.13 0.00 -0.92 0.00 0.00 57.85 59.52 1wwd n ARG 50 Cb 0.53 -4.18 -0.11 0.00 0.45 0.00 0.00 32.46 29.15 1wwd n ARG 50 CO 0.00 0.00 0.00 -1.00 -2.51 0.00 0.00 177.63 174.12 1wwd h PRO 51 N 3.80 -0.02 0.00 -0.14 0.13 -2.06 -3.48 132.00 130.23 1wwd h PRO 51 Ca -0.23 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.90 1wwd h PRO 51 Cb 0.63 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.77 1wwd h PRO 51 CO 0.04 0.69 0.00 0.94 -0.23 0.00 0.00 178.00 179.44 1wwd n GLN 52 N -4.75 0.00 0.00 0.86 0.00 -1.26 -5.15 117.38 107.08 1wwd n GLN 52 Ca -0.09 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 56.91 1wwd n GLN 52 Cb 0.35 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.59 1wwd n GLN 52 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.06 177.31 1wwd n THR 53 N -3.18 0.00 -1.61 1.69 -2.24 -1.26 -4.94 114.28 102.74 1wwd n THR 53 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1wwd n THR 53 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 1wwd n THR 53 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1wwd n SER 54 N -3.51 -8.67 0.00 3.42 2.88 -1.26 -4.55 113.62 101.93 1wwd n SER 54 Ca 0.00 1.56 0.00 0.00 -1.33 0.00 0.00 58.87 59.10 1wwd n SER 54 Cb 0.00 -5.03 0.00 0.00 -0.75 0.00 0.00 64.21 58.43 1wwd n SER 54 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70 1wwd n LEU 55 N -1.68 0.00 0.00 2.46 -0.00 -1.26 -4.98 117.00 111.54 1wwd n LEU 55 Ca 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 56.01 56.02 1wwd n LEU 55 Cb 0.22 0.00 0.04 0.00 -0.00 0.00 0.00 43.42 43.68 1wwd n LEU 55 CO 0.00 0.00 0.29 -0.11 -0.00 0.00 0.00 177.39 177.57