#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u6p s THR 2 N 0.00 -0.00 0.33 0.00 2.01 -1.26 -5.17 115.64 111.55 1u6p s THR 2 Ca 0.00 0.01 0.06 0.00 0.31 0.00 0.00 61.69 62.07 1u6p s THR 2 Cb 0.00 -0.33 -0.03 0.00 0.01 0.00 0.00 72.50 72.14 1u6p s THR 2 CO 0.00 0.00 0.25 0.68 -0.69 0.00 0.00 174.62 174.86 1u6p s VAL 3 N 0.18 0.06 -0.03 3.82 -7.23 -1.26 -5.18 120.40 110.76 1u6p s VAL 3 Ca -0.00 -2.00 -0.10 0.00 -1.81 0.00 0.00 61.98 58.06 1u6p s VAL 3 Cb -0.02 -2.48 0.01 0.00 0.56 0.00 0.00 36.38 34.45 1u6p s VAL 3 CO -0.00 0.00 0.23 0.54 -0.31 0.00 0.00 175.10 175.56 1u6p s VAL 4 N -3.49 0.05 -0.30 1.32 0.11 -1.26 -5.16 120.40 111.68 1u6p s VAL 4 Ca 0.39 -0.44 -0.27 0.00 -2.93 0.00 0.00 61.98 58.73 1u6p s VAL 4 Cb 0.03 -0.48 0.20 0.00 -1.53 0.00 0.00 36.38 34.60 1u6p s VAL 4 CO 0.25 -0.24 1.45 -0.94 -3.33 0.00 0.00 175.10 172.28 1u6p s SER 5 N -0.98 -0.01 -0.12 3.54 1.04 -1.26 -5.17 113.70 110.74 1u6p s SER 5 Ca -0.11 0.02 -0.08 0.00 0.48 0.00 0.00 55.95 56.26 1u6p s SER 5 Cb -0.05 0.02 0.04 0.00 0.10 0.00 0.00 66.02 66.12 1u6p s SER 5 CO 0.02 -0.01 0.29 -0.83 0.98 0.00 0.00 173.24 173.70 1u6p s GLY 6 N -0.41 -0.21 0.33 7.32 0.00 -1.26 -5.10 107.32 108.00 1u6p s GLY 6 Ca 0.09 0.97 0.04 0.00 0.00 0.00 0.00 44.72 45.82 1u6p s GLY 6 CO -0.13 1.02 0.34 1.20 0.00 0.00 0.00 173.10 175.52 1u6p s GLN 7 N 0.69 1.81 0.04 2.90 -1.52 -1.26 -5.07 119.66 117.25 1u6p s GLN 7 Ca -0.04 -1.94 -0.27 0.00 -1.95 0.00 0.00 55.36 51.16 1u6p s GLN 7 Cb -0.06 0.36 0.08 0.00 -0.22 0.00 0.00 33.01 33.18 1u6p s GLN 7 CO -0.04 -0.70 0.71 -1.59 -0.25 0.00 0.00 175.29 173.42 1u6p s LYS 8 N -3.31 1.08 0.00 2.91 0.00 -1.26 -2.58 119.74 116.58 1u6p s LYS 8 Ca 0.38 -0.18 0.00 0.00 0.00 0.00 0.00 55.97 56.17 1u6p s LYS 8 Cb 0.02 0.50 0.00 0.00 0.00 0.00 0.00 37.83 38.35 1u6p s LYS 8 CO 0.25 -0.43 0.00 0.00 0.00 0.00 0.00 175.35 175.18 1u6p n GLN 9 N 0.11 0.00 -3.62 1.78 -0.00 -1.26 -5.00 117.38 109.39 1u6p n GLN 9 Ca -0.16 0.00 -0.03 0.00 -0.00 0.00 0.00 57.00 56.81 1u6p n GLN 9 Cb 0.61 0.00 -0.06 0.00 -0.00 0.00 0.00 30.24 30.79 1u6p n GLN 9 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.06 177.40 1u6p s ASP 10 N 0.00 -0.66 -0.30 2.61 -1.08 -1.26 -5.02 116.67 110.96 1u6p s ASP 10 Ca 0.00 1.03 -0.17 0.00 -0.52 0.00 0.00 52.55 52.90 1u6p s ASP 10 Cb 0.00 1.36 0.18 0.00 -1.46 0.00 0.00 42.92 43.01 1u6p s ASP 10 CO 0.00 -0.16 1.16 0.00 0.52 0.00 0.00 175.17 176.69 1u6p s ARG 11 N 1.62 0.16 -0.24 4.34 3.03 -1.26 -5.18 118.95 121.42 1u6p s ARG 11 Ca -0.08 0.32 -0.31 0.00 2.03 0.00 0.00 55.73 57.68 1u6p s ARG 11 Cb -0.05 0.11 0.17 0.00 -1.03 0.00 0.00 34.95 34.15 1u6p s ARG 11 CO -0.17 -0.04 1.26 -1.14 -1.13 0.00 0.00 175.30 174.08 1u6p s GLN 12 N 1.63 0.21 0.00 3.89 0.74 -1.26 -5.17 119.66 119.71 1u6p s GLN 12 Ca -0.05 0.01 0.00 0.00 0.05 0.00 0.00 55.36 55.37 1u6p s GLN 12 Cb -0.03 0.10 0.00 0.00 1.10 0.00 0.00 33.01 34.18 1u6p s GLN 12 CO -0.14 -0.08 0.00 0.41 -0.55 0.00 0.00 175.29 174.93 1u6p n GLY 13 N 0.38 3.60 3.65 2.59 0.00 -1.26 -5.18 105.19 108.96 1u6p n GLY 13 Ca -0.01 -0.43 -0.01 0.00 0.00 0.00 0.00 46.02 45.57 1u6p n GLY 13 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1u6p s GLY 14 N 0.00 0.39 0.13 -0.02 0.00 -1.26 -5.18 107.32 101.37 1u6p s GLY 14 Ca 0.00 3.54 0.01 0.00 0.00 0.00 0.00 44.72 48.27 1u6p s GLY 14 CO 0.00 2.39 -0.01 -0.54 0.00 0.00 0.00 173.10 174.95 1u6p s GLU 15 N 0.68 0.92 -0.11 2.90 2.02 -1.26 -5.15 118.70 118.70 1u6p s GLU 15 Ca -0.02 -1.42 -0.00 0.00 0.02 0.00 0.00 54.97 53.55 1u6p s GLU 15 Cb -0.04 -0.05 0.02 0.00 0.10 0.00 0.00 34.13 34.17 1u6p s GLU 15 CO -0.12 -0.13 -0.08 -0.98 0.02 0.00 0.00 175.26 173.96 1u6p s ARG 16 N -3.93 1.60 -0.28 1.61 1.04 -1.26 -5.02 118.95 112.70 1u6p s ARG 16 Ca 0.19 -0.28 -0.24 0.00 -1.04 0.00 0.00 55.73 54.36 1u6p s ARG 16 Cb 0.07 -1.63 0.12 0.00 -2.04 0.00 0.00 34.95 31.47 1u6p s ARG 16 CO -0.01 -0.25 1.01 -0.98 -0.04 0.00 0.00 175.30 175.03 1u6p s ARG 17 N 1.65 0.50 -0.07 3.89 1.70 -1.26 -5.01 118.95 120.35 1u6p s ARG 17 Ca 0.04 0.63 0.03 0.00 -0.47 0.00 0.00 55.73 55.96 1u6p s ARG 17 Cb -0.13 0.22 0.19 0.00 -0.57 0.00 0.00 34.95 34.67 1u6p s ARG 17 CO -0.08 -0.07 0.92 2.89 -1.08 0.00 0.00 175.30 177.88 1u6p n ARG 18 N 2.48 1.78 -0.22 3.89 1.85 -1.26 -4.31 116.66 120.88 1u6p n ARG 18 Ca -0.13 -0.76 0.02 0.00 -1.00 0.00 0.00 57.85 55.97 1u6p n ARG 18 Cb 0.56 -1.58 0.12 0.00 -1.05 0.00 0.00 32.46 30.51 1u6p n ARG 18 CO 0.00 0.00 0.00 1.03 -0.01 0.00 0.00 177.63 178.65 1u6p h SER 19 N 0.78 -0.21 -0.39 2.89 0.87 -2.04 -1.85 113.55 113.61 1u6p h SER 19 Ca 0.04 0.15 -0.29 0.00 -1.23 0.00 0.00 61.79 60.47 1u6p h SER 19 Cb 1.03 0.25 -0.23 0.00 -0.44 0.00 0.00 62.40 63.01 1u6p h SER 19 CO 0.16 -0.10 -0.68 1.67 -0.53 0.00 0.00 176.83 177.36 1u6p n GLN 20 N -5.25 2.63 -1.80 2.24 7.27 -1.26 -5.00 117.38 116.20 1u6p n GLN 20 Ca 0.10 -3.75 -0.31 0.00 0.07 0.00 0.00 57.00 53.12 1u6p n GLN 20 Cb 0.38 -1.95 -0.04 0.00 2.41 0.00 0.00 30.24 31.04 1u6p n GLN 20 CO 0.00 0.00 0.00 -1.17 0.07 0.00 0.00 177.06 175.96 1u6p s LEU 21 N -3.40 3.22 0.35 1.69 0.20 -0.70 -4.93 118.68 115.11 1u6p s LEU 21 Ca 0.45 0.30 -0.25 0.00 0.69 0.00 0.00 54.13 55.33 1u6p s LEU 21 Cb 0.39 -2.53 -0.10 0.00 -0.43 0.00 0.00 46.19 43.52 1u6p s LEU 21 CO -0.01 -2.90 0.94 -0.62 -0.29 0.00 0.00 176.35 173.47 1u6p s ASP 22 N 9.88 7.22 0.00 3.68 -1.08 -1.26 -4.91 116.67 130.20 1u6p s ASP 22 Ca 0.82 1.79 0.06 0.00 -0.52 0.00 0.00 52.55 54.70 1u6p s ASP 22 Cb -0.13 -2.57 0.29 0.00 -1.46 0.00 0.00 42.92 39.06 1u6p s ASP 22 CO 0.16 -0.15 1.13 0.54 0.52 0.00 0.00 175.17 177.36 1u6p n ARG 23 N 0.21 0.04 -0.11 4.34 5.12 -1.26 -0.36 116.66 124.64 1u6p n ARG 23 Ca 0.03 0.31 0.07 0.00 -1.93 0.00 0.00 57.85 56.34 1u6p n ARG 23 Cb 0.51 -1.50 0.10 0.00 -1.16 0.00 0.00 32.46 30.41 1u6p n ARG 23 CO 0.00 0.00 0.00 -0.25 -1.93 0.00 0.00 177.63 175.45 1u6p n ASP 24 N -1.40 1.96 -4.79 0.55 9.92 -1.26 -5.04 116.55 116.49 1u6p n ASP 24 Ca 0.02 -2.77 -0.27 0.00 -0.53 0.00 0.00 54.79 51.25 1u6p n ASP 24 Cb 0.06 -0.34 -0.05 0.00 -0.64 0.00 0.00 41.12 40.15 1u6p n ASP 24 CO 0.00 0.00 0.00 -1.10 0.13 0.00 0.00 177.20 176.23 1u6p s GLN 25 N -2.21 2.23 -0.20 -1.24 -0.21 0.51 -1.80 119.66 116.74 1u6p s GLN 25 Ca 0.23 -2.00 -0.09 0.00 0.02 0.00 0.00 55.36 53.51 1u6p s GLN 25 Cb 0.20 -1.93 -0.05 0.00 1.00 0.00 0.00 33.01 32.23 1u6p s GLN 25 CO 0.02 -0.32 0.12 0.00 -2.12 0.00 0.00 175.29 172.99 1u6p n ALA 27 N 3.65 4.33 0.08 0.00 0.00 -1.26 -1.55 120.51 125.76 1u6p n ALA 27 Ca -0.16 -1.65 0.00 0.00 0.00 0.00 0.00 53.44 51.63 1u6p n ALA 27 Cb 0.52 -1.27 0.00 0.00 0.00 0.00 0.00 19.45 18.70 1u6p n ALA 27 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 1u6p n TYR 28 N -0.37 -1.05 0.58 0.00 4.19 -1.26 -4.86 117.16 114.39 1u6p n TYR 28 Ca 0.34 0.19 0.08 0.00 3.31 0.00 0.00 57.90 61.81 1u6p n TYR 28 Cb 1.11 0.28 -0.11 0.00 0.49 0.00 0.00 39.34 41.12 1u6p n TYR 28 CO 0.00 0.00 0.00 0.00 0.91 0.00 0.00 176.86 177.77 1u6p n LYS 30 N -1.60 -0.06 -1.43 0.00 4.76 -0.60 -5.03 118.16 114.21 1u6p n LYS 30 Ca 0.01 0.44 -0.29 0.00 -2.87 0.00 0.00 58.31 55.61 1u6p n LYS 30 Cb 0.32 -3.98 0.17 0.00 -1.84 0.00 0.00 35.03 29.70 1u6p n LYS 30 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 1u6p s GLU 31 N -2.41 0.49 -0.17 1.97 8.01 -1.25 -4.61 118.70 120.73 1u6p s GLU 31 Ca 0.00 0.18 0.00 0.00 0.01 0.00 0.00 54.97 55.16 1u6p s GLU 31 Cb 0.00 -1.77 0.04 0.00 -4.31 0.00 0.00 34.13 28.08 1u6p s GLU 31 CO 0.00 -2.61 -0.09 0.21 0.01 0.00 0.00 175.26 172.78 1u6p s LYS 32 N -5.32 1.79 0.00 1.61 2.20 -1.26 0.46 119.74 119.23 1u6p s LYS 32 Ca 0.67 -0.62 0.00 0.00 -0.36 0.00 0.00 55.97 55.66 1u6p s LYS 32 Cb -0.13 -2.13 0.00 0.00 -1.51 0.00 0.00 37.83 34.06 1u6p s LYS 32 CO 0.55 -0.38 0.00 0.41 -0.36 0.00 0.00 175.35 175.56 1u6p n GLY 33 N 4.80 3.48 3.91 5.54 0.00 -0.75 -5.01 105.19 117.16 1u6p n GLY 33 Ca -0.14 -0.67 -0.23 0.00 0.00 0.00 0.00 46.02 44.98 1u6p n GLY 33 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1u6p s HIS 34 N 0.00 3.34 0.28 1.61 -3.43 -1.26 -4.92 115.29 110.91 1u6p s HIS 34 Ca 0.00 -0.00 0.04 0.00 -0.80 0.00 0.00 55.06 54.30 1u6p s HIS 34 Cb 0.00 -1.55 -0.03 0.00 -1.43 0.00 0.00 32.58 29.57 1u6p s HIS 34 CO 0.00 0.49 0.42 -1.58 -2.00 0.00 0.00 174.74 172.06 1u6p s TRP 35 N -1.92 3.40 0.45 0.38 0.52 -1.26 -3.07 118.94 117.44 1u6p s TRP 35 Ca 0.33 0.02 0.12 0.00 0.02 0.00 0.00 56.10 56.59 1u6p s TRP 35 Cb -0.09 -1.71 1.02 0.00 -1.15 0.00 0.00 33.47 31.54 1u6p s TRP 35 CO 0.27 0.29 2.05 0.00 0.02 0.00 0.00 176.95 179.59 1u6p h ALA 36 N 1.04 1.90 0.00 0.98 0.00 -1.89 0.55 119.26 121.83 1u6p h ALA 36 Ca -0.50 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.39 1u6p h ALA 36 Cb 1.23 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.93 1u6p h ALA 36 CO 0.60 0.04 0.00 1.63 0.00 0.00 0.00 179.25 181.52 1u6p n LYS 37 N -4.48 0.00 -1.72 0.00 4.76 -1.26 -1.43 118.16 114.04 1u6p n LYS 37 Ca 0.04 0.37 0.02 0.00 -2.87 0.00 0.00 58.31 55.87 1u6p n LYS 37 Cb 0.19 -1.50 0.05 0.00 -1.84 0.00 0.00 35.03 31.93 1u6p n LYS 37 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 1u6p n ASP 38 N -1.49 1.39 -4.73 4.39 -0.08 0.18 -5.08 116.55 111.12 1u6p n ASP 38 Ca 0.02 -2.31 -0.41 0.00 -1.51 0.00 0.00 54.79 50.57 1u6p n ASP 38 Cb 0.08 -0.37 -0.03 0.00 2.34 0.00 0.00 41.12 43.14 1u6p n ASP 38 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1u6p n PRO 40 N 2.82 0.74 0.06 0.00 -0.04 -1.26 -2.43 135.00 134.89 1u6p n PRO 40 Ca 0.05 0.00 -0.04 0.00 -0.04 0.00 0.00 63.50 63.47 1u6p n PRO 40 Cb 0.45 -1.39 -0.08 0.00 -0.04 0.00 0.00 33.50 32.44 1u6p n PRO 40 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 1u6p h LYS 41 N 0.00 0.00 -5.32 0.54 3.64 -1.96 -3.45 116.57 110.02 1u6p h LYS 41 Ca 0.00 0.00 -0.55 0.00 -1.27 0.00 0.00 60.65 58.83 1u6p h LYS 41 Cb 0.00 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 31.76 1u6p h LYS 41 CO 0.00 0.66 1.65 1.63 -2.27 0.00 0.00 179.45 181.12 1u6p n LYS 42 N -3.18 0.25 -1.53 1.90 5.02 -1.02 -4.87 118.16 114.73 1u6p n LYS 42 Ca -0.05 0.02 -0.29 0.00 -2.02 0.00 0.00 58.31 55.97 1u6p n LYS 42 Cb 0.90 -1.88 0.16 0.00 -0.02 0.00 0.00 35.03 34.19 1u6p n LYS 42 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1u6p s PRO 43 N 8.22 0.72 0.00 1.97 0.04 -1.26 -5.04 135.00 139.65 1u6p s PRO 43 Ca 1.26 0.13 0.00 0.00 0.04 0.00 0.00 61.00 62.43 1u6p s PRO 43 Cb -1.10 -1.80 0.00 0.00 0.04 0.00 0.00 34.50 31.64 1u6p s PRO 43 CO 0.48 -2.45 0.00 -2.13 0.04 0.00 0.00 177.00 172.94 1u6p n ARG 44 N -3.91 0.00 -1.16 4.56 0.63 -1.26 -5.15 116.66 110.37 1u6p n ARG 44 Ca 0.09 0.00 0.13 0.00 -0.92 0.00 0.00 57.85 57.14 1u6p n ARG 44 Cb 0.59 0.00 -0.05 0.00 0.45 0.00 0.00 32.46 33.46 1u6p n ARG 44 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1u6p n GLY 45 N 0.00 -1.80 0.00 5.14 0.00 -1.26 -5.02 105.19 102.24 1u6p n GLY 45 Ca 0.00 -0.73 0.00 0.00 0.00 0.00 0.00 46.02 45.29 1u6p n GLY 45 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1u6p n PRO 46 N -3.59 -0.40 -4.10 1.61 -0.04 -1.26 -5.13 135.00 122.09 1u6p n PRO 46 Ca -0.03 0.00 -0.33 0.00 -0.04 0.00 0.00 63.50 63.11 1u6p n PRO 46 Cb 0.62 0.00 -0.16 0.00 -0.04 0.00 0.00 33.50 33.93 1u6p n PRO 46 CO 0.00 0.00 0.00 -0.98 -0.04 0.00 0.00 175.50 174.48 1u6p s ARG 47 N -2.80 2.75 -0.30 0.54 1.04 -1.26 -5.07 118.95 113.86 1u6p s ARG 47 Ca 0.00 -0.99 -0.01 0.00 -1.04 0.00 0.00 55.73 53.69 1u6p s ARG 47 Cb 0.00 -2.66 0.19 0.00 -2.04 0.00 0.00 34.95 30.44 1u6p s ARG 47 CO 0.00 -0.32 0.69 0.20 -0.04 0.00 0.00 175.30 175.83 1u6p s GLY 48 N 1.23 -0.98 0.97 3.88 0.00 -1.26 -5.17 107.32 106.00 1u6p s GLY 48 Ca 0.01 1.78 -0.14 0.00 0.00 0.00 0.00 44.72 46.37 1u6p s GLY 48 CO -0.11 3.57 1.17 2.56 0.00 0.00 0.00 173.10 180.29 1u6p s PRO 49 N 2.87 0.64 -0.29 2.90 0.04 -1.26 -5.08 135.00 134.81 1u6p s PRO 49 Ca 0.15 0.10 0.05 0.00 0.04 0.00 0.00 61.00 61.34 1u6p s PRO 49 Cb -0.12 -1.80 0.19 0.00 0.04 0.00 0.00 34.50 32.81 1u6p s PRO 49 CO -0.21 -2.50 0.56 0.50 0.04 0.00 0.00 177.00 175.38 1u6p s ARG 50 N -5.42 0.54 0.99 4.56 3.00 -1.26 -5.16 118.95 116.19 1u6p s ARG 50 Ca 0.67 0.46 -0.15 0.00 -1.00 0.00 0.00 55.73 55.71 1u6p s ARG 50 Cb -0.12 0.14 0.18 0.00 0.00 0.00 0.00 34.95 35.16 1u6p s ARG 50 CO 0.54 -1.05 1.17 -1.25 0.00 0.00 0.00 175.30 174.71 1u6p s PRO 51 N 2.76 0.51 0.13 5.12 0.04 -1.26 -5.10 135.00 137.21 1u6p s PRO 51 Ca 0.10 0.05 -0.01 0.00 0.04 0.00 0.00 61.00 61.18 1u6p s PRO 51 Cb -0.10 -1.79 -0.04 0.00 0.04 0.00 0.00 34.50 32.61 1u6p s PRO 51 CO -0.27 -2.58 0.04 -1.14 0.04 0.00 0.00 177.00 173.10 1u6p s GLN 52 N -5.45 0.93 0.05 4.56 0.74 -1.26 -5.16 119.66 114.08 1u6p s GLN 52 Ca 0.68 -1.44 -0.00 0.00 0.05 0.00 0.00 55.36 54.64 1u6p s GLN 52 Cb -0.11 0.17 -0.04 0.00 1.10 0.00 0.00 33.01 34.13 1u6p s GLN 52 CO 0.54 -0.23 0.20 0.99 -0.55 0.00 0.00 175.29 176.23 1u6p s THR 53 N -3.99 5.36 0.20 -0.34 2.01 -1.26 -5.11 115.64 112.51 1u6p s THR 53 Ca 0.23 -0.38 -0.04 0.00 0.31 0.00 0.00 61.69 61.82 1u6p s THR 53 Cb 0.07 -3.60 -0.03 0.00 0.01 0.00 0.00 72.50 68.95 1u6p s THR 53 CO 0.01 0.16 0.20 -0.55 -0.69 0.00 0.00 174.62 173.75 1u6p s SER 54 N -2.44 0.11 -0.05 3.53 0.15 -1.26 -4.36 113.70 109.37 1u6p s SER 54 Ca 0.34 -1.26 -0.04 0.00 0.70 0.00 0.00 55.95 55.68 1u6p s SER 54 Cb -0.13 0.42 -0.01 0.00 -1.71 0.00 0.00 66.02 64.58 1u6p s SER 54 CO 0.27 -0.89 -0.08 -0.11 1.20 0.00 0.00 173.24 173.62 1u6p n LEU 55 N -0.28 0.65 0.00 3.45 7.94 -1.06 -4.66 117.00 123.04 1u6p n LEU 55 Ca 0.00 0.31 0.00 0.00 -1.11 0.00 0.00 56.01 55.21 1u6p n LEU 55 Cb 0.65 -0.62 0.00 0.00 0.53 0.00 0.00 43.42 43.98 1u6p n LEU 55 CO 0.30 -0.47 0.00 -0.11 -1.11 0.00 0.00 177.39 176.00