#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 -0.01 -0.25 0.00 -4.23 -1.26 -5.13 115.64 104.76 1u6p s THR 2 Ca 0.00 0.03 -0.02 0.00 -1.18 0.00 0.00 61.69 60.53 1u6p s THR 2 Cb 0.00 -0.26 0.13 0.00 1.34 0.00 0.00 72.50 73.71 1u6p s THR 2 CO 0.00 0.01 0.32 -0.69 -0.54 0.00 0.00 174.62 173.73 1u6p s VAL 3 N 0.33 -0.49 -0.00 2.29 1.01 -1.26 -5.14 120.40 117.14 1u6p s VAL 3 Ca -0.02 -0.22 -0.03 0.00 0.00 0.00 0.00 61.98 61.70 1u6p s VAL 3 Cb -0.03 -0.85 -0.00 0.00 0.00 0.00 0.00 36.38 35.49 1u6p s VAL 3 CO -0.01 -0.26 0.06 0.54 0.00 0.00 0.00 175.10 175.43 1u6p s VAL 4 N 2.44 0.07 -0.01 2.92 0.11 -1.26 -5.16 120.40 119.51 1u6p s VAL 4 Ca 0.10 -0.56 -0.03 0.00 -2.93 0.00 0.00 61.98 58.55 1u6p s VAL 4 Cb -0.15 -0.27 -0.00 0.00 -1.53 0.00 0.00 36.38 34.43 1u6p s VAL 4 CO -0.21 -0.31 0.07 -0.44 -3.33 0.00 0.00 175.10 170.87 1u6p s SER 5 N -0.98 0.03 0.20 3.54 0.01 -1.26 -5.16 113.70 110.07 1u6p s SER 5 Ca -0.11 -0.11 -0.22 0.00 1.31 0.00 0.00 55.95 56.83 1u6p s SER 5 Cb -0.06 0.16 0.05 0.00 0.21 0.00 0.00 66.02 66.38 1u6p s SER 5 CO 0.00 -0.19 0.63 -0.83 0.41 0.00 0.00 173.24 173.27 1u6p s GLY 6 N -0.72 -0.42 -0.03 3.44 0.00 -1.26 -5.17 107.32 103.17 1u6p s GLY 6 Ca -0.08 0.19 0.00 0.00 0.00 0.00 0.00 44.72 44.83 1u6p s GLY 6 CO 0.00 0.05 -0.01 1.62 0.00 0.00 0.00 173.10 174.77 1u6p s GLN 7 N -3.81 0.39 -0.34 2.90 0.74 -1.26 -5.11 119.66 113.17 1u6p s GLN 7 Ca 0.05 0.05 0.01 0.00 0.05 0.00 0.00 55.36 55.51 1u6p s GLN 7 Cb -0.03 -0.55 0.09 0.00 1.10 0.00 0.00 33.01 33.62 1u6p s GLN 7 CO -0.06 -0.13 0.06 0.21 -0.55 0.00 0.00 175.29 174.82 1u6p s LYS 8 N 1.01 1.95 -0.38 1.67 2.47 -1.26 -4.98 119.74 120.23 1u6p s LYS 8 Ca -0.10 -1.65 -0.02 0.00 -1.56 0.00 0.00 55.97 52.64 1u6p s LYS 8 Cb -0.14 -3.26 0.19 0.00 -1.46 0.00 0.00 37.83 33.16 1u6p s LYS 8 CO -0.01 -0.85 0.92 -1.14 0.16 0.00 0.00 175.35 174.42 1u6p s GLN 9 N 1.08 0.47 0.00 4.03 -0.44 -1.26 -5.16 119.66 118.38 1u6p s GLN 9 Ca 0.04 -0.29 0.00 0.00 -2.50 0.00 0.00 55.36 52.60 1u6p s GLN 9 Cb -0.20 0.02 0.00 0.00 -1.64 0.00 0.00 33.01 31.19 1u6p s GLN 9 CO -0.05 -0.63 0.00 -0.25 0.50 0.00 0.00 175.29 174.86 1u6p n ASP 10 N 3.47 0.00 -3.86 6.67 8.00 -1.26 -5.16 116.55 124.41 1u6p n ASP 10 Ca 0.10 0.00 -0.19 0.00 0.71 0.00 0.00 54.79 55.41 1u6p n ASP 10 Cb 0.61 0.00 -0.16 0.00 -0.02 0.00 0.00 41.12 41.55 1u6p n ASP 10 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 1u6p s ARG 11 N -2.00 0.61 -0.04 -1.24 1.81 -1.26 -5.14 118.95 111.69 1u6p s ARG 11 Ca 0.00 -0.03 0.05 0.00 -1.72 0.00 0.00 55.73 54.03 1u6p s ARG 11 Cb 0.00 -0.69 -0.01 0.00 -0.45 0.00 0.00 34.95 33.80 1u6p s ARG 11 CO 0.00 -0.10 -0.20 -0.65 -0.68 0.00 0.00 175.30 173.67 1u6p s GLN 12 N 0.94 1.89 0.00 3.54 -1.52 -1.26 -5.07 119.66 118.18 1u6p s GLN 12 Ca -0.11 -0.70 0.00 0.00 -1.95 0.00 0.00 55.36 52.60 1u6p s GLN 12 Cb -0.14 -1.68 0.00 0.00 -0.22 0.00 0.00 33.01 30.97 1u6p s GLN 12 CO -0.01 0.33 0.00 0.41 -0.25 0.00 0.00 175.29 175.78 1u6p n GLY 13 N 2.93 2.77 0.00 3.09 0.00 -1.26 -5.14 105.19 107.57 1u6p n GLY 13 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.85 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 0.00 1.08 1.93 -0.02 0.00 -1.26 -5.11 105.19 101.81 1u6p n GLY 14 Ca 0.00 -0.74 0.00 0.00 0.00 0.00 0.00 46.02 45.28 1u6p n GLY 14 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1u6p n GLU 15 N 0.00 -5.36 -3.47 1.61 4.71 -1.26 -5.01 120.64 111.86 1u6p n GLU 15 Ca 0.00 3.84 -0.23 0.00 -0.01 0.00 0.00 57.16 60.76 1u6p n GLU 15 Cb 0.00 -4.19 -0.12 0.00 -1.01 0.00 0.00 31.44 26.11 1u6p n GLU 15 CO 0.00 0.00 0.00 1.03 0.09 0.00 0.00 177.13 178.25 1u6p s ARG 16 N -1.63 0.25 -0.21 3.49 3.00 -1.26 -5.12 118.95 117.47 1u6p s ARG 16 Ca 0.00 -0.28 -0.30 0.00 0.00 0.00 0.00 55.73 55.15 1u6p s ARG 16 Cb 0.00 -0.95 0.15 0.00 0.00 0.00 0.00 34.95 34.16 1u6p s ARG 16 CO 0.00 -0.99 1.16 -0.98 0.00 0.00 0.00 175.30 174.49 1u6p s ARG 17 N 2.24 0.36 0.19 3.54 3.03 -1.26 -5.04 118.95 122.01 1u6p s ARG 17 Ca 0.09 0.07 -0.20 0.00 2.03 0.00 0.00 55.73 57.71 1u6p s ARG 17 Cb -0.15 0.17 0.14 0.00 -1.03 0.00 0.00 34.95 34.08 1u6p s ARG 17 CO -0.33 -0.12 1.58 0.00 -1.13 0.00 0.00 175.30 175.31 1u6p h ARG 18 N 2.30 -0.13 0.00 3.89 3.08 -2.00 -3.42 114.38 118.10 1u6p h ARG 18 Ca -0.14 0.01 0.00 0.00 0.07 0.00 0.00 59.98 59.92 1u6p h ARG 18 Cb 1.17 0.03 0.00 0.00 0.08 0.00 0.00 29.97 31.25 1u6p h ARG 18 CO 0.27 -0.09 0.00 0.45 -1.07 0.00 0.00 179.97 179.53 1u6p n SER 19 N -5.44 0.00 -1.36 7.04 2.88 -1.26 -0.50 113.62 114.98 1u6p n SER 19 Ca 0.05 0.00 -0.06 0.00 -1.33 0.00 0.00 58.87 57.53 1u6p n SER 19 Cb 0.36 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.79 1u6p n SER 19 CO 0.00 0.00 0.00 1.67 -1.23 0.00 0.00 175.04 175.48 1u6p n GLN 20 N 0.00 0.29 -1.18 -1.46 7.27 -1.26 -5.09 117.38 115.94 1u6p n GLN 20 Ca 0.00 -1.09 -0.46 0.00 0.07 0.00 0.00 57.00 55.52 1u6p n GLN 20 Cb 0.00 0.46 -0.12 0.00 2.41 0.00 0.00 30.24 32.99 1u6p n GLN 20 CO 0.00 0.00 0.00 -0.11 0.07 0.00 0.00 177.06 177.02 1u6p n LEU 21 N -0.30 0.50 -4.86 1.69 0.00 0.34 -4.85 117.00 109.52 1u6p n LEU 21 Ca -0.25 0.42 -0.32 0.00 0.00 0.00 0.00 56.01 55.87 1u6p n LEU 21 Cb 0.75 -0.80 -0.05 0.00 0.00 0.00 0.00 43.42 43.32 1u6p n LEU 21 CO -0.14 -0.66 0.37 -0.62 0.00 0.00 0.00 177.39 176.34 1u6p s ASP 22 N 6.31 6.68 0.00 1.96 2.15 -1.26 -4.94 116.67 127.57 1u6p s ASP 22 Ca 1.11 1.15 0.11 0.00 0.43 0.00 0.00 52.55 55.34 1u6p s ASP 22 Cb -1.23 -2.32 0.51 0.00 -0.30 0.00 0.00 42.92 39.57 1u6p s ASP 22 CO 0.52 -0.22 1.27 -1.14 -0.17 0.00 0.00 175.17 175.44 1u6p n ARG 23 N -0.54 0.10 -0.32 4.34 3.00 -1.26 -1.12 116.66 120.86 1u6p n ARG 23 Ca 0.02 0.23 0.07 0.00 -0.00 0.00 0.00 57.85 58.17 1u6p n ARG 23 Cb 0.53 -1.50 0.10 0.00 0.00 0.00 0.00 32.46 31.59 1u6p n ARG 23 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.63 174.16 1u6p n ASP 24 N -1.36 1.56 -4.83 6.15 -0.08 -1.26 -5.05 116.55 111.67 1u6p n ASP 24 Ca 0.04 -2.82 -0.24 0.00 -1.51 0.00 0.00 54.79 50.26 1u6p n ASP 24 Cb 0.10 -0.37 -0.04 0.00 2.34 0.00 0.00 41.12 43.15 1u6p n ASP 24 CO 0.00 0.00 0.00 -1.10 0.12 0.00 0.00 177.20 176.22 1u6p s GLN 25 N -1.97 2.33 -0.18 -0.67 -0.21 -0.27 -1.58 119.66 117.10 1u6p s GLN 25 Ca 0.24 -1.81 -0.07 0.00 0.02 0.00 0.00 55.36 53.74 1u6p s GLN 25 Cb 0.22 -2.13 -0.04 0.00 1.00 0.00 0.00 33.01 32.06 1u6p s GLN 25 CO 0.00 -0.29 0.06 0.00 -2.12 0.00 0.00 175.29 172.93 1u6p n ALA 27 N 3.58 4.73 0.08 0.00 0.00 -1.26 -2.00 120.51 125.64 1u6p n ALA 27 Ca -0.17 -1.91 0.00 0.00 0.00 0.00 0.00 53.44 51.36 1u6p n ALA 27 Cb 0.52 -1.34 0.00 0.00 0.00 0.00 0.00 19.45 18.63 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 -0.39 -1.07 0.96 0.00 4.19 -1.26 -4.87 117.16 114.72 1u6p n TYR 28 Ca 0.38 0.19 0.10 0.00 3.31 0.00 0.00 57.90 61.88 1u6p n TYR 28 Cb 1.06 0.32 -0.12 0.00 0.49 0.00 0.00 39.34 41.09 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 -1.49 -0.21 -1.30 0.00 4.01 -0.85 -5.03 118.16 113.29 1u6p n LYS 30 Ca 0.04 0.54 -0.30 0.00 -0.51 0.00 0.00 58.31 58.08 1u6p n LYS 30 Cb 0.32 -4.17 0.24 0.00 -0.51 0.00 0.00 35.03 30.91 1u6p n LYS 30 CO 0.00 0.00 0.00 0.39 -1.11 0.00 0.00 177.40 176.68 1u6p n GLU 31 N -2.67 -2.58 -3.83 1.97 4.71 -1.25 -4.63 120.64 112.35 1u6p n GLU 31 Ca -0.03 -1.84 -0.25 0.00 -0.01 0.00 0.00 57.16 55.03 1u6p n GLU 31 Cb 0.16 -1.55 -0.17 0.00 -1.01 0.00 0.00 31.44 28.87 1u6p n GLU 31 CO 0.00 0.00 0.00 0.15 0.09 0.00 0.00 177.13 177.37 1u6p s LYS 32 N -5.61 1.02 0.00 3.49 1.02 -1.26 -0.50 119.74 117.90 1u6p s LYS 32 Ca 0.72 -0.10 0.00 0.00 0.02 0.00 0.00 55.97 56.61 1u6p s LYS 32 Cb -0.05 -1.34 0.00 0.00 -0.52 0.00 0.00 37.83 35.92 1u6p s LYS 32 CO 0.54 -0.31 0.00 0.41 -0.92 0.00 0.00 175.35 175.06 1u6p n GLY 33 N 5.05 3.60 3.84 -3.33 0.00 -0.61 -5.01 105.19 108.73 1u6p n GLY 33 Ca -0.10 -0.75 -0.23 0.00 0.00 0.00 0.00 46.02 44.95 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 3.17 0.38 1.61 -3.43 -1.26 -4.92 115.29 110.84 1u6p s HIS 34 Ca 0.00 -0.07 0.05 0.00 -0.80 0.00 0.00 55.06 54.23 1u6p s HIS 34 Cb 0.00 -1.45 -0.00 0.00 -1.43 0.00 0.00 32.58 29.69 1u6p s HIS 34 CO 0.00 0.51 0.55 -1.58 -2.00 0.00 0.00 174.74 172.22 1u6p s TRP 35 N -2.02 3.11 0.38 0.38 0.52 -1.26 -3.03 118.94 117.01 1u6p s TRP 35 Ca 0.33 -0.10 0.06 0.00 0.02 0.00 0.00 56.10 56.40 1u6p s TRP 35 Cb -0.09 -2.14 0.76 0.00 -1.15 0.00 0.00 33.47 30.85 1u6p s TRP 35 CO 0.25 -0.17 2.00 0.00 0.02 0.00 0.00 176.95 179.05 1u6p h ALA 36 N 0.70 1.68 0.00 0.98 0.00 -1.89 0.65 119.26 121.38 1u6p h ALA 36 Ca -0.45 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1u6p h ALA 36 Cb 1.26 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.85 1u6p h ALA 36 CO 0.53 0.26 0.00 1.63 0.00 0.00 0.00 179.25 181.68 1u6p n LYS 37 N -4.46 0.13 -0.17 0.00 4.01 -1.26 -1.49 118.16 114.92 1u6p n LYS 37 Ca 0.07 0.19 0.04 0.00 -0.51 0.00 0.00 58.31 58.10 1u6p n LYS 37 Cb 0.13 -1.50 0.06 0.00 -0.51 0.00 0.00 35.03 33.21 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 -1.36 1.32 -4.73 4.39 8.00 0.19 -5.06 116.55 119.30 1u6p n ASP 38 Ca 0.06 -2.33 -0.42 0.00 0.71 0.00 0.00 54.79 52.81 1u6p n ASP 38 Cb 0.14 -0.24 -0.03 0.00 -0.02 0.00 0.00 41.12 40.97 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 2.88 0.76 0.01 0.00 -0.04 -1.26 -2.15 135.00 135.19 1u6p n PRO 40 Ca 0.08 0.00 0.03 0.00 -0.04 0.00 0.00 63.50 63.57 1u6p n PRO 40 Cb 0.41 -1.42 -0.11 0.00 -0.04 0.00 0.00 33.50 32.34 1u6p n PRO 40 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1u6p n LYS 41 N -0.92 0.64 -1.50 0.54 5.02 -1.26 -4.89 118.16 115.79 1u6p n LYS 41 Ca 0.15 0.05 -0.41 0.00 -2.02 0.00 0.00 58.31 56.08 1u6p n LYS 41 Cb 0.07 -1.68 -0.15 0.00 -0.02 0.00 0.00 35.03 33.25 1u6p n LYS 41 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1u6p n LYS 42 N -2.65 0.00 -0.87 1.97 5.02 -0.92 -4.68 118.16 116.03 1u6p n LYS 42 Ca -0.11 -0.00 -0.20 0.00 -2.02 0.00 0.00 58.31 55.98 1u6p n LYS 42 Cb 0.78 -1.50 -0.07 0.00 -0.02 0.00 0.00 35.03 34.22 1u6p n LYS 42 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 1u6p n PRO 43 N 8.45 2.18 -3.14 1.97 -0.04 -1.26 -4.69 135.00 138.47 1u6p n PRO 43 Ca 0.66 -1.29 -0.04 0.00 -0.04 0.00 0.00 63.50 62.78 1u6p n PRO 43 Cb 0.03 -2.26 0.00 0.00 -0.04 0.00 0.00 33.50 31.24 1u6p n PRO 43 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 1u6p n ARG 44 N 3.32 -1.02 -0.25 0.54 0.63 -1.26 -4.92 116.66 113.69 1u6p n ARG 44 Ca 0.47 1.20 -0.15 0.00 -0.92 0.00 0.00 57.85 58.45 1u6p n ARG 44 Cb 0.42 -1.93 0.14 0.00 0.45 0.00 0.00 32.46 31.54 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 1.00 -2.77 3.79 5.14 0.00 -1.26 -4.79 105.19 106.30 1u6p n GLY 45 Ca -0.01 -0.90 -0.35 0.00 0.00 0.00 0.00 46.02 44.76 1u6p n GLY 45 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1u6p s PRO 46 N -3.53 3.95 -0.30 1.61 0.04 -1.26 -5.19 135.00 130.33 1u6p s PRO 46 Ca 0.32 1.43 -0.22 0.00 0.04 0.00 0.00 61.00 62.57 1u6p s PRO 46 Cb -0.06 -2.28 0.18 0.00 0.04 0.00 0.00 34.50 32.39 1u6p s PRO 46 CO 0.27 -0.31 1.32 1.03 0.04 0.00 0.00 177.00 179.36 1u6p s ARG 47 N -2.92 0.13 0.00 4.56 1.81 -1.26 -5.12 118.95 116.15 1u6p s ARG 47 Ca 0.63 0.17 0.00 0.00 -1.72 0.00 0.00 55.73 54.81 1u6p s ARG 47 Cb -0.19 0.05 0.00 0.00 -0.45 0.00 0.00 34.95 34.37 1u6p s ARG 47 CO 0.23 -0.02 0.00 0.41 -0.68 0.00 0.00 175.30 175.24 1u6p n GLY 48 N 2.14 -0.47 3.32 -3.53 0.00 -1.26 -5.04 105.19 100.35 1u6p n GLY 48 Ca -0.13 0.42 -0.27 0.00 0.00 0.00 0.00 46.02 46.05 1u6p n GLY 48 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1u6p n PRO 49 N 0.00 -2.05 -3.85 1.61 -0.04 -1.26 -5.05 135.00 124.36 1u6p n PRO 49 Ca 0.00 -1.72 -0.30 0.00 -0.04 0.00 0.00 63.50 61.44 1u6p n PRO 49 Cb 0.00 -1.36 -0.15 0.00 -0.04 0.00 0.00 33.50 31.96 1u6p n PRO 49 CO 0.00 0.00 0.00 0.50 -0.04 0.00 0.00 175.50 175.96 1u6p s ARG 50 N -5.43 1.23 0.97 0.54 6.06 -1.26 -5.12 118.95 115.93 1u6p s ARG 50 Ca 0.66 -1.70 -0.14 0.00 -2.50 0.00 0.00 55.73 52.05 1u6p s ARG 50 Cb -0.04 -2.62 0.17 0.00 0.06 0.00 0.00 34.95 32.52 1u6p s ARG 50 CO 0.48 -1.02 1.17 -1.25 -2.50 0.00 0.00 175.30 172.18 1u6p s PRO 51 N 0.92 0.68 -0.44 5.12 0.04 -1.26 -5.05 135.00 135.01 1u6p s PRO 51 Ca 0.12 0.11 0.06 0.00 0.04 0.00 0.00 61.00 61.33 1u6p s PRO 51 Cb -0.20 -1.80 0.20 0.00 0.04 0.00 0.00 34.50 32.74 1u6p s PRO 51 CO -0.12 -2.48 0.44 0.94 0.04 0.00 0.00 177.00 175.83 1u6p n GLN 52 N -3.92 0.62 -2.24 4.56 7.27 -1.26 -5.05 117.38 117.37 1u6p n GLN 52 Ca 0.09 -3.37 -0.33 0.00 0.07 0.00 0.00 57.00 53.47 1u6p n GLN 52 Cb 0.59 -1.58 -0.04 0.00 2.41 0.00 0.00 30.24 31.62 1u6p n GLN 52 CO 0.00 0.00 0.00 0.95 0.07 0.00 0.00 177.06 178.08 1u6p s THR 53 N -0.64 3.69 -0.29 1.69 -4.23 -1.26 -4.81 115.64 109.79 1u6p s THR 53 Ca 0.34 -0.95 -0.14 0.00 -1.18 0.00 0.00 61.69 59.75 1u6p s THR 53 Cb 0.09 -4.62 0.12 0.00 1.34 0.00 0.00 72.50 69.43 1u6p s THR 53 CO -0.15 -1.33 0.81 -0.44 -0.54 0.00 0.00 174.62 172.97 1u6p s SER 54 N 6.23 -0.81 0.19 3.99 0.01 -1.26 -5.16 113.70 116.89 1u6p s SER 54 Ca 0.63 1.22 -0.13 0.00 1.31 0.00 0.00 55.95 58.98 1u6p s SER 54 Cb -0.01 1.60 -0.07 0.00 0.21 0.00 0.00 66.02 67.74 1u6p s SER 54 CO 0.05 -0.18 0.57 -1.48 0.41 0.00 0.00 173.24 172.61 1u6p s LEU 55 N 1.98 4.25 0.00 2.44 0.05 -1.26 -5.30 118.68 120.84 1u6p s LEU 55 Ca -0.08 1.05 0.20 0.00 0.05 0.00 0.00 54.13 55.36 1u6p s LEU 55 Cb -0.06 -3.50 0.16 0.00 -2.05 0.00 0.00 46.19 40.74 1u6p s LEU 55 CO -0.18 0.01 1.15 0.18 -0.55 0.00 0.00 176.35 176.96