#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u6p n THR 2 N 0.00 0.00 0.00 0.00 -2.24 -1.26 -5.09 114.28 105.69 1u6p n THR 2 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1u6p n THR 2 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 1u6p n THR 2 CO 0.00 0.00 0.00 1.33 -0.57 0.00 0.00 175.07 175.83 1u6p n VAL 3 N 0.00 0.00 -2.08 2.28 0.24 -1.26 -5.13 118.33 112.38 1u6p n VAL 3 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 1u6p n VAL 3 Cb 0.00 -0.51 0.00 0.00 -1.47 0.00 0.00 33.84 31.86 1u6p n VAL 3 CO 0.00 0.00 0.00 0.52 -2.14 0.00 0.00 176.83 175.21 1u6p n VAL 4 N -2.43-12.90 -4.05 3.34 0.31 -1.26 -5.01 118.33 96.33 1u6p n VAL 4 Ca 0.00 3.15 -0.28 0.00 -0.01 0.00 0.00 64.34 67.20 1u6p n VAL 4 Cb 0.48 -5.57 -0.06 0.00 -0.91 0.00 0.00 33.84 27.79 1u6p n VAL 4 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 1u6p s SER 5 N -0.51 5.59 0.00 4.52 0.15 -1.26 -5.09 113.70 117.10 1u6p s SER 5 Ca 0.00 -0.04 0.00 0.00 0.70 0.00 0.00 55.95 56.61 1u6p s SER 5 Cb 0.00 -1.50 0.00 0.00 -1.71 0.00 0.00 66.02 62.81 1u6p s SER 5 CO 0.00 0.12 0.00 0.61 1.20 0.00 0.00 173.24 175.17 1u6p n GLY 6 N 0.05 -1.21 3.34 9.45 0.00 -1.26 -5.18 105.19 110.37 1u6p n GLY 6 Ca -0.08 -0.99 -0.18 0.00 0.00 0.00 0.00 46.02 44.77 1u6p n GLY 6 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1u6p s GLN 7 N -1.67 1.33 0.00 1.61 1.11 -1.26 -5.15 119.66 115.63 1u6p s GLN 7 Ca 0.00 -1.64 -0.11 0.00 0.01 0.00 0.00 55.36 53.62 1u6p s GLN 7 Cb 0.00 -0.81 0.04 0.00 -1.01 0.00 0.00 33.01 31.23 1u6p s GLN 7 CO 0.00 0.01 0.49 0.36 0.01 0.00 0.00 175.29 176.16 1u6p n LYS 8 N -0.40 0.09 -4.22 2.91 2.85 -1.26 -5.18 118.16 112.94 1u6p n LYS 8 Ca -0.07 -0.33 -0.13 0.00 -1.05 0.00 0.00 58.31 56.73 1u6p n LYS 8 Cb 0.63 0.53 -0.10 0.00 -0.65 0.00 0.00 35.03 35.44 1u6p n LYS 8 CO 0.00 0.00 0.00 1.14 -0.05 0.00 0.00 177.40 178.49 1u6p s GLN 9 N -2.01 1.04 0.40 -1.58 -2.07 -1.26 -5.17 119.66 109.02 1u6p s GLN 9 Ca 0.11 -1.48 0.08 0.00 -1.82 0.00 0.00 55.36 52.25 1u6p s GLN 9 Cb -0.00 -0.28 -0.04 0.00 -1.09 0.00 0.00 33.01 31.59 1u6p s GLN 9 CO 0.00 -0.08 0.24 0.16 -1.32 0.00 0.00 175.29 174.29 1u6p s ASP 10 N -3.14 4.66 0.16 12.60 1.47 -1.26 -5.07 116.67 126.09 1u6p s ASP 10 Ca 0.20 -0.93 0.00 0.00 1.18 0.00 0.00 52.55 53.00 1u6p s ASP 10 Cb 0.06 -0.54 0.00 0.00 -0.34 0.00 0.00 42.92 42.09 1u6p s ASP 10 CO 0.01 -0.55 0.00 0.54 0.68 0.00 0.00 175.17 175.86 1u6p n ARG 11 N -1.33 0.00 -3.59 2.11 1.74 -1.26 -5.16 116.66 109.17 1u6p n ARG 11 Ca 0.00 0.00 0.01 0.00 -0.77 0.00 0.00 57.85 57.10 1u6p n ARG 11 Cb 0.63 -0.34 -0.01 0.00 -1.02 0.00 0.00 32.46 31.72 1u6p n ARG 11 CO 0.00 0.00 0.00 1.14 -1.52 0.00 0.00 177.63 177.25 1u6p s GLN 12 N -2.00 0.07 0.00 5.56 -2.07 -1.26 -5.18 119.66 114.78 1u6p s GLN 12 Ca 0.00 -0.04 0.00 0.00 -1.82 0.00 0.00 55.36 53.50 1u6p s GLN 12 Cb 0.00 0.03 0.00 0.00 -1.09 0.00 0.00 33.01 31.95 1u6p s GLN 12 CO 0.00 -0.03 0.00 0.41 -1.32 0.00 0.00 175.29 174.35 1u6p n GLY 13 N -0.33 5.36 0.00 2.60 0.00 -1.26 -5.18 105.19 106.37 1u6p n GLY 13 Ca -0.05 -1.38 0.00 0.00 0.00 0.00 0.00 46.02 44.59 1u6p n GLY 13 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1u6p n GLY 14 N 3.09 2.87 2.19 -0.02 0.00 -1.26 -5.10 105.19 106.96 1u6p n GLY 14 Ca 0.00 -1.17 0.00 0.00 0.00 0.00 0.00 46.02 44.85 1u6p n GLY 14 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1u6p n GLU 15 N -1.26 0.00 -0.01 1.61 0.00 -1.26 -5.14 120.64 114.58 1u6p n GLU 15 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 57.16 57.15 1u6p n GLU 15 Cb 0.00 0.00 0.01 0.00 0.00 0.00 0.00 31.44 31.45 1u6p n GLU 15 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.13 180.02 1u6p n ARG 16 N -3.26 -1.77 -0.89 5.31 1.85 -1.26 -4.91 116.66 111.73 1u6p n ARG 16 Ca 0.00 -0.04 -0.36 0.00 -1.00 0.00 0.00 57.85 56.44 1u6p n ARG 16 Cb 0.00 -0.06 0.08 0.00 -1.05 0.00 0.00 32.46 31.43 1u6p n ARG 16 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16 1u6p n ARG 17 N -1.95 -0.52 -0.60 2.89 3.00 -1.26 -4.56 116.66 113.66 1u6p n ARG 17 Ca 0.00 -0.15 -0.17 0.00 -0.01 0.00 0.00 57.85 57.53 1u6p n ARG 17 Cb 0.02 -1.25 -0.02 0.00 0.00 0.00 0.00 32.46 31.21 1u6p n ARG 17 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 1u6p n ARG 18 N 0.91 1.63 0.00 5.56 1.74 -1.26 -4.73 116.66 120.51 1u6p n ARG 18 Ca -0.01 -1.18 0.00 0.00 -0.77 0.00 0.00 57.85 55.89 1u6p n ARG 18 Cb 0.70 -2.29 0.00 0.00 -1.02 0.00 0.00 32.46 29.85 1u6p n ARG 18 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1u6p n SER 19 N 4.11 0.00 -2.65 0.55 2.88 -1.26 0.92 113.62 118.17 1u6p n SER 19 Ca 0.35 0.00 -0.03 0.00 -1.33 0.00 0.00 58.87 57.86 1u6p n SER 19 Cb 0.15 0.00 0.03 0.00 -0.75 0.00 0.00 64.21 63.64 1u6p n SER 19 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1u6p n GLN 20 N 0.00 0.03 -1.54 -1.46 6.02 -1.26 -5.08 117.38 114.08 1u6p n GLN 20 Ca 0.00 -0.53 -0.25 0.00 -0.01 0.00 0.00 57.00 56.21 1u6p n GLN 20 Cb 0.00 -0.01 -0.10 0.00 1.02 0.00 0.00 30.24 31.15 1u6p n GLN 20 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 177.06 175.94 1u6p n LEU 21 N -0.11 1.10 -4.84 1.08 0.00 0.26 -4.88 117.00 109.62 1u6p n LEU 21 Ca -0.22 -0.80 -0.32 0.00 0.00 0.00 0.00 56.01 54.67 1u6p n LEU 21 Cb 0.68 -1.32 0.01 0.00 0.00 0.00 0.00 43.42 42.79 1u6p n LEU 21 CO -0.12 -1.84 0.71 -0.62 0.00 0.00 0.00 177.39 175.51 1u6p s ASP 22 N 8.90 6.04 0.00 1.96 -1.08 -1.26 -4.90 116.67 126.33 1u6p s ASP 22 Ca 1.08 1.59 0.08 0.00 -0.52 0.00 0.00 52.55 54.79 1u6p s ASP 22 Cb -0.44 -2.50 0.43 0.00 -1.46 0.00 0.00 42.92 38.94 1u6p s ASP 22 CO 0.28 -0.99 1.15 0.54 0.52 0.00 0.00 175.17 176.67 1u6p n ARG 23 N -2.37 0.11 -0.70 4.34 5.12 -1.26 -0.89 116.66 121.01 1u6p n ARG 23 Ca 0.07 0.21 0.06 0.00 -1.93 0.00 0.00 57.85 56.26 1u6p n ARG 23 Cb 0.54 -1.50 0.13 0.00 -1.16 0.00 0.00 32.46 30.46 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 -1.30 1.49 -3.70 0.55 8.00 -1.26 -5.05 116.55 115.27 1u6p n ASP 24 Ca 0.04 -3.08 -0.18 0.00 0.71 0.00 0.00 54.79 52.28 1u6p n ASP 24 Cb 0.07 -0.42 -0.02 0.00 -0.02 0.00 0.00 41.12 40.73 1u6p n ASP 24 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1u6p n GLN 25 N -0.68 1.10 -4.85 -1.24 6.02 -0.07 -1.64 117.38 116.02 1u6p n GLN 25 Ca 0.13 -2.18 -0.33 0.00 -0.01 0.00 0.00 57.00 54.61 1u6p n GLN 25 Cb 0.79 0.39 -0.13 0.00 1.02 0.00 0.00 30.24 32.31 1u6p n GLN 25 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1u6p n ALA 27 N 2.55 4.89 0.06 0.00 0.00 -1.26 -2.55 120.51 124.21 1u6p n ALA 27 Ca -0.17 -2.44 0.00 0.00 0.00 0.00 0.00 53.44 50.83 1u6p n ALA 27 Cb 0.52 -1.32 0.00 0.00 0.00 0.00 0.00 19.45 18.65 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 -0.47 -0.73 -0.04 0.00 4.19 -1.26 -4.87 117.16 113.97 1u6p n TYR 28 Ca 0.46 0.13 0.02 0.00 3.31 0.00 0.00 57.90 61.82 1u6p n TYR 28 Cb 1.46 0.22 -0.15 0.00 0.49 0.00 0.00 39.34 41.36 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 -2.39 0.00 -1.88 0.00 4.76 -1.06 -5.03 118.16 112.56 1u6p n LYS 30 Ca -0.14 0.26 -0.30 0.00 -2.87 0.00 0.00 58.31 55.26 1u6p n LYS 30 Cb 0.75 -2.25 0.07 0.00 -1.84 0.00 0.00 35.03 31.77 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 -1.29 2.37 -0.11 1.97 2.02 -1.26 -4.60 118.70 117.80 1u6p s GLU 31 Ca 0.00 0.29 0.03 0.00 0.02 0.00 0.00 54.97 55.31 1u6p s GLU 31 Cb 0.00 -1.98 0.00 0.00 0.10 0.00 0.00 34.13 32.25 1u6p s GLU 31 CO 0.00 -1.35 -0.23 -1.59 0.02 0.00 0.00 175.26 172.12 1u6p s LYS 32 N -5.46 2.98 0.00 1.61 -2.85 -1.26 0.73 119.74 115.49 1u6p s LYS 32 Ca 0.60 -0.85 0.00 0.00 -1.00 0.00 0.00 55.97 54.72 1u6p s LYS 32 Cb -0.11 -2.31 0.00 0.00 -2.06 0.00 0.00 37.83 33.35 1u6p s LYS 32 CO 0.50 0.10 0.00 0.41 0.10 0.00 0.00 175.35 176.47 1u6p n GLY 33 N 3.73 3.77 3.65 0.59 0.00 -0.65 -5.01 105.19 111.26 1u6p n GLY 33 Ca -0.19 -0.89 -0.25 0.00 0.00 0.00 0.00 46.02 44.68 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 2.78 0.49 1.61 -3.43 -1.26 -4.97 115.29 110.51 1u6p s HIS 34 Ca 0.00 -0.17 0.01 0.00 -0.80 0.00 0.00 55.06 54.10 1u6p s HIS 34 Cb 0.00 -1.31 0.01 0.00 -1.43 0.00 0.00 32.58 29.85 1u6p s HIS 34 CO 0.00 0.55 0.71 -1.58 -2.00 0.00 0.00 174.74 172.41 1u6p s TRP 35 N -1.92 3.03 0.19 0.38 0.52 -1.26 -3.49 118.94 116.40 1u6p s TRP 35 Ca 0.28 0.08 -0.12 0.00 0.02 0.00 0.00 56.10 56.36 1u6p s TRP 35 Cb -0.08 -2.51 0.17 0.00 -1.15 0.00 0.00 33.47 29.90 1u6p s TRP 35 CO 0.19 -0.59 1.78 0.00 0.02 0.00 0.00 176.95 178.35 1u6p h ALA 36 N 0.27 0.71 0.00 0.98 0.00 -1.91 0.77 119.26 120.08 1u6p h ALA 36 Ca -0.44 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.50 1u6p h ALA 36 Cb 1.27 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1u6p h ALA 36 CO 0.54 -0.08 0.00 1.63 0.00 0.00 0.00 179.25 181.34 1u6p n LYS 37 N -4.88 0.26 -0.01 0.00 4.01 -1.26 -0.88 118.16 115.40 1u6p n LYS 37 Ca 0.06 0.12 0.01 0.00 -0.51 0.00 0.00 58.31 57.98 1u6p n LYS 37 Cb 0.16 -1.50 0.01 0.00 -0.51 0.00 0.00 35.03 33.19 1u6p n LYS 37 CO 0.00 0.00 0.00 -0.25 -1.11 0.00 0.00 177.40 176.04 1u6p n ASP 38 N -1.23 1.65 -4.75 4.39 8.00 0.21 -5.03 116.55 119.79 1u6p n ASP 38 Ca 0.08 -1.55 -0.42 0.00 0.71 0.00 0.00 54.79 53.61 1u6p n ASP 38 Cb 0.10 -0.02 -0.02 0.00 -0.02 0.00 0.00 41.12 41.17 1u6p n ASP 38 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1u6p n PRO 40 N 2.34 0.75 -0.54 0.00 -0.04 -1.26 -2.19 135.00 134.06 1u6p n PRO 40 Ca 0.09 0.00 0.06 0.00 -0.04 0.00 0.00 63.50 63.61 1u6p n PRO 40 Cb 0.37 -1.46 0.13 0.00 -0.04 0.00 0.00 33.50 32.50 1u6p n PRO 40 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 1u6p n LYS 41 N -0.96 1.04 -2.90 0.54 2.85 -1.26 -5.02 118.16 112.45 1u6p n LYS 41 Ca 0.17 -2.57 -0.42 0.00 -1.05 0.00 0.00 58.31 54.44 1u6p n LYS 41 Cb 0.08 -1.20 -0.05 0.00 -0.65 0.00 0.00 35.03 33.22 1u6p n LYS 41 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 177.40 177.56 1u6p s LYS 42 N -2.22 3.87 0.86 -1.58 2.20 -0.93 -5.04 119.74 116.91 1u6p s LYS 42 Ca 0.30 0.52 -0.12 0.00 -0.36 0.00 0.00 55.97 56.31 1u6p s LYS 42 Cb 0.29 -3.77 0.11 0.00 -1.51 0.00 0.00 37.83 32.95 1u6p s LYS 42 CO -0.04 -0.81 1.12 -1.25 -0.36 0.00 0.00 175.35 174.01 1u6p s PRO 43 N 3.16 1.53 -0.41 4.03 0.04 -1.26 -5.03 135.00 137.06 1u6p s PRO 43 Ca 0.34 0.44 -0.01 0.00 0.04 0.00 0.00 61.00 61.81 1u6p s PRO 43 Cb -0.13 -1.87 0.11 0.00 0.04 0.00 0.00 34.50 32.65 1u6p s PRO 43 CO 0.15 -1.96 0.19 1.03 0.04 0.00 0.00 177.00 176.45 1u6p s ARG 44 N -5.22 1.93 0.01 4.56 1.81 -1.26 -5.04 118.95 115.73 1u6p s ARG 44 Ca 0.63 -1.88 -0.29 0.00 -1.72 0.00 0.00 55.73 52.47 1u6p s ARG 44 Cb -0.15 -3.52 0.10 0.00 -0.45 0.00 0.00 34.95 30.94 1u6p s ARG 44 CO 0.54 -1.05 1.25 0.20 -0.68 0.00 0.00 175.30 175.55 1u6p s GLY 45 N 1.57 -0.24 0.12 -3.53 0.00 -1.26 -4.78 107.32 99.21 1u6p s GLY 45 Ca 0.09 0.31 -0.02 0.00 0.00 0.00 0.00 44.72 45.10 1u6p s GLY 45 CO -0.05 2.47 0.13 -1.55 0.00 0.00 0.00 173.10 174.11 1u6p n PRO 46 N -0.67 -0.69 -3.00 2.90 -0.04 -1.26 -5.08 135.00 127.16 1u6p n PRO 46 Ca -0.03 -0.21 -0.28 0.00 -0.04 0.00 0.00 63.50 62.94 1u6p n PRO 46 Cb 0.61 -0.17 -0.04 0.00 -0.04 0.00 0.00 33.50 33.86 1u6p n PRO 46 CO 0.00 0.00 0.00 2.89 -0.04 0.00 0.00 175.50 178.35 1u6p n ARG 47 N -1.59 3.31 -1.29 0.54 1.85 -1.26 -5.03 116.66 113.19 1u6p n ARG 47 Ca 0.02 -4.82 0.00 0.00 -1.00 0.00 0.00 57.85 52.05 1u6p n ARG 47 Cb 0.06 -2.26 0.00 0.00 -1.05 0.00 0.00 32.46 29.21 1u6p n ARG 47 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1u6p n GLY 48 N -0.03 -4.44 3.80 2.89 0.00 -1.26 -4.97 105.19 101.18 1u6p n GLY 48 Ca 0.32 -0.68 -0.30 0.00 0.00 0.00 0.00 46.02 45.37 1u6p n GLY 48 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1u6p s PRO 49 N -3.33 1.90 0.13 1.61 0.04 -1.26 -5.05 135.00 129.04 1u6p s PRO 49 Ca 0.00 0.57 -0.09 0.00 0.04 0.00 0.00 61.00 61.52 1u6p s PRO 49 Cb 0.00 -1.90 -0.06 0.00 0.04 0.00 0.00 34.50 32.58 1u6p s PRO 49 CO 0.00 -1.73 0.43 -0.98 0.04 0.00 0.00 177.00 174.76 1u6p s ARG 50 N -5.18 3.74 0.78 4.56 1.04 -1.26 -5.08 118.95 117.54 1u6p s ARG 50 Ca 0.61 0.14 -0.11 0.00 -1.04 0.00 0.00 55.73 55.33 1u6p s ARG 50 Cb -0.14 -2.87 0.06 0.00 -2.04 0.00 0.00 34.95 29.95 1u6p s ARG 50 CO 0.54 0.47 1.09 -1.25 -0.04 0.00 0.00 175.30 176.12 1u6p s PRO 51 N -2.33 2.22 0.22 3.89 0.04 -1.26 -5.09 135.00 132.68 1u6p s PRO 51 Ca 0.39 0.68 0.00 0.00 0.04 0.00 0.00 61.00 62.11 1u6p s PRO 51 Cb -0.13 -1.93 -0.04 0.00 0.04 0.00 0.00 34.50 32.44 1u6p s PRO 51 CO 0.21 -1.54 0.10 1.14 0.04 0.00 0.00 177.00 176.95 1u6p s GLN 52 N -5.14 1.26 -0.03 4.56 -2.07 -1.26 -5.17 119.66 111.80 1u6p s GLN 52 Ca 0.60 -1.66 -0.11 0.00 -1.82 0.00 0.00 55.36 52.37 1u6p s GLN 52 Cb -0.14 0.02 0.02 0.00 -1.09 0.00 0.00 33.01 31.82 1u6p s GLN 52 CO 0.54 -0.33 0.24 0.99 -1.32 0.00 0.00 175.29 175.42 1u6p s THR 53 N -3.96 0.05 0.26 3.63 2.01 -1.26 -5.17 115.64 111.20 1u6p s THR 53 Ca 0.37 -0.42 -0.15 0.00 0.31 0.00 0.00 61.69 61.80 1u6p s THR 53 Cb 0.07 -0.49 0.00 0.00 0.01 0.00 0.00 72.50 72.09 1u6p s THR 53 CO 0.12 -0.23 0.56 -0.55 -0.69 0.00 0.00 174.62 173.82 1u6p s SER 54 N -0.95 -0.12 0.14 3.53 0.15 -1.26 -5.18 113.70 110.01 1u6p s SER 54 Ca -0.10 -0.85 -0.10 0.00 0.70 0.00 0.00 55.95 55.59 1u6p s SER 54 Cb -0.05 0.64 -0.00 0.00 -1.71 0.00 0.00 66.02 64.89 1u6p s SER 54 CO 0.02 -1.22 0.28 -0.22 1.20 0.00 0.00 173.24 173.31 1u6p s LEU 55 N -3.00 1.00 0.00 3.45 2.96 -1.26 -5.38 118.68 116.45 1u6p s LEU 55 Ca 0.19 -0.76 0.00 0.00 -0.22 0.00 0.00 54.13 53.35 1u6p s LEU 55 Cb -0.02 1.24 0.00 0.00 0.50 0.00 0.00 46.19 47.91 1u6p s LEU 55 CO 0.09 -0.86 0.38 -0.11 -1.32 0.00 0.00 176.35 174.53