#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 1.00 0.29 0.00 -4.23 -1.26 -5.11 115.64 106.32 1u6p s THR 2 Ca 0.00 -1.48 -0.29 0.00 -1.18 0.00 0.00 61.69 58.74 1u6p s THR 2 Cb 0.00 -1.20 -0.13 0.00 1.34 0.00 0.00 72.50 72.51 1u6p s THR 2 CO 0.00 -0.42 1.23 0.55 -0.54 0.00 0.00 174.62 175.45 1u6p n VAL 3 N 0.89 1.68 -4.10 2.29 3.14 -1.26 -4.97 118.33 116.00 1u6p n VAL 3 Ca -0.18 -0.42 -0.33 0.00 -2.96 0.00 0.00 64.34 60.44 1u6p n VAL 3 Cb 0.56 -1.35 -0.16 0.00 -1.06 0.00 0.00 33.84 31.84 1u6p n VAL 3 CO 0.00 0.00 0.00 0.68 -6.46 0.00 0.00 176.83 171.05 1u6p s VAL 4 N -0.78 2.34 0.05 1.55 -7.23 -1.26 -5.11 120.40 109.97 1u6p s VAL 4 Ca 0.60 -0.84 0.08 0.00 -1.81 0.00 0.00 61.98 60.01 1u6p s VAL 4 Cb -0.64 -2.00 -0.03 0.00 0.56 0.00 0.00 36.38 34.27 1u6p s VAL 4 CO 0.58 0.52 -0.23 -0.44 -0.31 0.00 0.00 175.10 175.22 1u6p s SER 5 N 1.31 2.72 -0.55 4.85 0.01 -1.26 -5.07 113.70 115.71 1u6p s SER 5 Ca 0.05 -0.56 0.06 0.00 1.31 0.00 0.00 55.95 56.80 1u6p s SER 5 Cb -0.13 -0.23 0.33 0.00 0.21 0.00 0.00 66.02 66.20 1u6p s SER 5 CO -0.11 0.18 0.90 0.61 0.41 0.00 0.00 173.24 175.23 1u6p n GLY 6 N 1.73 5.23 2.69 3.44 0.00 -1.26 -4.78 105.19 112.24 1u6p n GLY 6 Ca -0.17 -2.62 -0.08 0.00 0.00 0.00 0.00 46.02 43.15 1u6p n GLY 6 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1u6p n GLN 7 N -0.06 1.15 -3.58 1.61 10.64 -1.26 -5.10 117.38 120.78 1u6p n GLN 7 Ca 0.30 -2.02 -0.02 0.00 -1.83 0.00 0.00 57.00 53.43 1u6p n GLN 7 Cb 0.43 -0.39 -0.05 0.00 -0.86 0.00 0.00 30.24 29.36 1u6p n GLN 7 CO 0.00 0.00 0.00 0.21 -1.83 0.00 0.00 177.06 175.44 1u6p s LYS 8 N -0.18 0.47 -0.83 2.61 2.20 -1.26 -5.10 119.74 117.65 1u6p s LYS 8 Ca 0.23 0.96 -0.02 0.00 -0.36 0.00 0.00 55.97 56.78 1u6p s LYS 8 Cb 0.38 0.34 0.21 0.00 -1.51 0.00 0.00 37.83 37.25 1u6p s LYS 8 CO -0.07 -0.12 0.70 -0.65 -0.36 0.00 0.00 175.35 174.84 1u6p s GLN 9 N 2.00 3.09 0.17 4.03 -1.52 -1.26 -5.06 119.66 121.12 1u6p s GLN 9 Ca -0.07 -3.14 -0.31 0.00 -1.95 0.00 0.00 55.36 49.89 1u6p s GLN 9 Cb -0.06 -3.88 -0.10 0.00 -0.22 0.00 0.00 33.01 28.75 1u6p s GLN 9 CO -0.17 -1.25 1.53 -0.51 -0.25 0.00 0.00 175.29 174.64 1u6p s ASP 10 N -0.07 6.62 -0.09 5.90 1.11 -1.26 -5.00 116.67 123.88 1u6p s ASP 10 Ca 0.25 2.60 -0.09 0.00 0.18 0.00 0.00 52.55 55.50 1u6p s ASP 10 Cb -0.09 -2.60 0.03 0.00 1.07 0.00 0.00 42.92 41.32 1u6p s ASP 10 CO -0.11 -0.79 0.25 0.00 1.18 0.00 0.00 175.17 175.70 1u6p s ARG 11 N 0.91 0.29 0.03 8.23 3.03 -1.26 -5.16 118.95 125.01 1u6p s ARG 11 Ca 0.68 0.35 -0.28 0.00 2.03 0.00 0.00 55.73 58.51 1u6p s ARG 11 Cb -0.43 0.13 0.09 0.00 -1.03 0.00 0.00 34.95 33.72 1u6p s ARG 11 CO 0.33 -0.04 0.88 1.14 -1.13 0.00 0.00 175.30 176.48 1u6p s GLN 12 N 0.17 0.92 0.00 3.89 -2.07 -1.26 -5.16 119.66 116.15 1u6p s GLN 12 Ca -0.00 -0.38 0.00 0.00 -1.82 0.00 0.00 55.36 53.16 1u6p s GLN 12 Cb -0.02 0.40 0.00 0.00 -1.09 0.00 0.00 33.01 32.30 1u6p s GLN 12 CO -0.00 -0.41 0.00 0.41 -1.32 0.00 0.00 175.29 173.97 1u6p n GLY 13 N -0.29 0.70 0.00 2.60 0.00 -1.26 -5.04 105.19 101.89 1u6p n GLY 13 Ca -0.09 -1.72 0.00 0.00 0.00 0.00 0.00 46.02 44.21 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 -1.28 2.78 -0.02 0.00 -1.26 -5.03 105.19 100.38 1u6p n GLY 14 Ca 0.00 -1.58 -0.03 0.00 0.00 0.00 0.00 46.02 44.41 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 -1.07 -1.47 -3.07 1.61 0.00 -1.26 -4.40 120.64 110.97 1u6p n GLU 15 Ca 0.00 1.56 -0.00 0.00 0.00 0.00 0.00 57.16 58.72 1u6p n GLU 15 Cb 0.00 -5.16 -0.00 0.00 0.00 0.00 0.00 31.44 26.28 1u6p n GLU 15 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 1u6p n ARG 16 N -1.18 -1.09 -2.91 5.31 1.74 -1.26 -5.00 116.66 112.26 1u6p n ARG 16 Ca 0.04 1.28 -0.01 0.00 -0.77 0.00 0.00 57.85 58.39 1u6p n ARG 16 Cb 0.46 -1.99 0.01 0.00 -1.02 0.00 0.00 32.46 29.92 1u6p n ARG 16 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 1u6p s ARG 17 N -1.07 0.63 -0.54 5.56 6.06 -1.26 -5.06 118.95 123.26 1u6p s ARG 17 Ca -0.01 -0.39 0.07 0.00 -2.50 0.00 0.00 55.73 52.90 1u6p s ARG 17 Cb 0.00 0.03 0.27 0.00 0.06 0.00 0.00 34.95 35.30 1u6p s ARG 17 CO 0.18 -0.85 0.70 2.89 -2.50 0.00 0.00 175.30 175.72 1u6p n ARG 18 N 3.61 1.94 0.00 5.12 0.00 -1.26 -4.64 116.66 121.43 1u6p n ARG 18 Ca 0.11 -4.16 0.00 0.00 -0.00 0.00 0.00 57.85 53.81 1u6p n ARG 18 Cb 0.60 -1.89 0.00 0.00 -0.00 0.00 0.00 32.46 31.16 1u6p n ARG 18 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 1u6p n SER 19 N 0.87 0.00 -2.66 2.89 2.88 -1.26 -2.04 113.62 114.30 1u6p n SER 19 Ca 0.27 0.00 -0.09 0.00 -1.33 0.00 0.00 58.87 57.72 1u6p n SER 19 Cb 0.46 0.00 0.03 0.00 -0.75 0.00 0.00 64.21 63.95 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 -0.96 1.54 -0.32 -1.46 0.00 -1.26 -5.07 117.38 109.85 1u6p n GLN 20 Ca 0.00 -3.45 -0.09 0.00 -0.00 0.00 0.00 57.00 53.46 1u6p n GLN 20 Cb 0.00 -1.44 -0.03 0.00 0.00 0.00 0.00 30.24 28.77 1u6p n GLN 20 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.06 176.95 1u6p n LEU 21 N -0.23 0.07 -4.80 1.69 0.00 -0.86 -4.77 117.00 108.10 1u6p n LEU 21 Ca 0.12 0.05 -0.35 0.00 0.00 0.00 0.00 56.01 55.83 1u6p n LEU 21 Cb 0.81 -0.20 -0.06 0.00 0.00 0.00 0.00 43.42 43.97 1u6p n LEU 21 CO 0.24 -0.16 0.68 -0.62 0.00 0.00 0.00 177.39 177.52 1u6p s ASP 22 N 1.89 6.96 0.00 1.96 -1.08 -1.26 -4.91 116.67 120.23 1u6p s ASP 22 Ca 0.29 1.84 0.13 0.00 -0.52 0.00 0.00 52.55 54.28 1u6p s ASP 22 Cb -0.28 -2.56 0.66 0.00 -1.46 0.00 0.00 42.92 39.28 1u6p s ASP 22 CO 0.11 -0.34 1.28 0.54 0.52 0.00 0.00 175.17 177.28 1u6p n ARG 23 N -0.18 0.23 -0.71 4.34 5.12 -1.26 -1.33 116.66 122.87 1u6p n ARG 23 Ca 0.05 0.13 0.05 0.00 -1.93 0.00 0.00 57.85 56.15 1u6p n ARG 23 Cb 0.52 -1.50 0.10 0.00 -1.16 0.00 0.00 32.46 30.42 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 -1.21 1.35 -4.79 0.55 8.00 -1.26 -5.06 116.55 114.12 1u6p n ASP 24 Ca 0.07 -2.87 -0.28 0.00 0.71 0.00 0.00 54.79 52.42 1u6p n ASP 24 Cb 0.09 -0.39 -0.06 0.00 -0.02 0.00 0.00 41.12 40.74 1u6p n ASP 24 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 1u6p s GLN 25 N -1.69 2.21 -0.18 -1.24 -0.21 -0.44 -1.39 119.66 116.71 1u6p s GLN 25 Ca 0.29 -2.09 -0.09 0.00 0.02 0.00 0.00 55.36 53.49 1u6p s GLN 25 Cb 0.29 -1.85 -0.05 0.00 1.00 0.00 0.00 33.01 32.40 1u6p s GLN 25 CO -0.06 -0.34 0.10 0.00 -2.12 0.00 0.00 175.29 172.87 1u6p n ALA 27 N 3.36 3.79 0.07 0.00 0.00 -1.26 -1.88 120.51 124.59 1u6p n ALA 27 Ca -0.17 -1.33 0.00 0.00 0.00 0.00 0.00 53.44 51.94 1u6p n ALA 27 Cb 0.52 -1.17 0.00 0.00 0.00 0.00 0.00 19.45 18.80 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 -0.10 -0.74 -0.08 0.00 4.19 -1.26 -4.89 117.16 114.29 1u6p n TYR 28 Ca 0.25 0.13 -0.08 0.00 3.31 0.00 0.00 57.90 61.51 1u6p n TYR 28 Cb 0.98 0.18 -0.15 0.00 0.49 0.00 0.00 39.34 40.84 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 -2.78 0.00 -3.29 0.00 3.00 -0.79 -4.95 118.16 109.35 1u6p n LYS 30 Ca -0.28 0.08 -0.37 0.00 -0.00 0.00 0.00 58.31 57.74 1u6p n LYS 30 Cb 1.10 -1.21 -0.06 0.00 0.00 0.00 0.00 35.03 34.86 1u6p n LYS 30 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.40 176.19 1u6p s GLU 31 N -1.31 4.12 -0.19 1.64 8.01 -1.26 -4.63 118.70 125.08 1u6p s GLU 31 Ca 0.00 0.65 -0.18 0.00 0.01 0.00 0.00 54.97 55.45 1u6p s GLU 31 Cb 0.00 -3.10 -0.03 0.00 -4.31 0.00 0.00 34.13 26.68 1u6p s GLU 31 CO 0.00 0.57 0.50 -1.59 0.01 0.00 0.00 175.26 174.74 1u6p s LYS 32 N -1.48 4.20 0.00 1.61 -2.85 -1.26 0.40 119.74 120.36 1u6p s LYS 32 Ca 0.33 0.38 0.00 0.00 -1.00 0.00 0.00 55.97 55.68 1u6p s LYS 32 Cb -0.18 -3.55 0.00 0.00 -2.06 0.00 0.00 37.83 32.05 1u6p s LYS 32 CO 0.19 -0.11 0.00 0.41 0.10 0.00 0.00 175.35 175.94 1u6p n GLY 33 N 3.85 3.78 3.62 0.59 0.00 -0.49 -5.00 105.19 111.54 1u6p n GLY 33 Ca -0.05 -0.67 -0.23 0.00 0.00 0.00 0.00 46.02 45.06 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 2.63 0.37 1.61 -3.43 -1.26 -4.95 115.29 110.27 1u6p s HIS 34 Ca 0.00 -0.26 0.07 0.00 -0.80 0.00 0.00 55.06 54.08 1u6p s HIS 34 Cb 0.00 -1.20 -0.00 0.00 -1.43 0.00 0.00 32.58 29.94 1u6p s HIS 34 CO 0.00 0.61 0.49 -1.58 -2.00 0.00 0.00 174.74 172.27 1u6p s TRP 35 N -2.37 2.95 0.37 0.38 0.52 -1.26 -2.53 118.94 117.01 1u6p s TRP 35 Ca 0.32 -0.32 0.05 0.00 0.02 0.00 0.00 56.10 56.17 1u6p s TRP 35 Cb -0.06 -2.15 0.74 0.00 -1.15 0.00 0.00 33.47 30.86 1u6p s TRP 35 CO 0.19 -0.17 2.01 0.00 0.02 0.00 0.00 176.95 179.00 1u6p h ALA 36 N 0.83 1.66 0.00 0.98 0.00 -1.88 0.52 119.26 121.36 1u6p h ALA 36 Ca -0.43 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.45 1u6p h ALA 36 Cb 1.27 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.85 1u6p h ALA 36 CO 0.50 0.29 0.00 1.63 0.00 0.00 0.00 179.25 181.67 1u6p n LYS 37 N -4.46 0.04 -1.17 0.00 4.01 -1.26 -1.43 118.16 113.89 1u6p n LYS 37 Ca 0.07 0.29 0.05 0.00 -0.51 0.00 0.00 58.31 58.21 1u6p n LYS 37 Cb 0.11 -1.50 0.08 0.00 -0.51 0.00 0.00 35.03 33.21 1u6p n LYS 37 CO 0.00 0.00 0.00 -3.47 -1.11 0.00 0.00 177.40 172.82 1u6p n ASP 38 N -1.44 1.21 -4.73 4.39 -0.08 0.16 -5.07 116.55 111.00 1u6p n ASP 38 Ca 0.03 -2.60 -0.41 0.00 -1.51 0.00 0.00 54.79 50.29 1u6p n ASP 38 Cb 0.10 -0.37 -0.04 0.00 2.34 0.00 0.00 41.12 43.16 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 3.08 0.75 0.02 0.00 -0.04 -1.26 -2.14 135.00 135.40 1u6p n PRO 40 Ca 0.05 0.00 0.04 0.00 -0.04 0.00 0.00 63.50 63.55 1u6p n PRO 40 Cb 0.47 -1.43 -0.10 0.00 -0.04 0.00 0.00 33.50 32.40 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 -0.93 0.64 -1.50 0.54 5.02 -1.26 -4.89 118.16 115.78 1u6p n LYS 41 Ca 0.15 0.04 -0.41 0.00 -2.02 0.00 0.00 58.31 56.07 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 -2.63 0.00 0.03 1.97 5.02 -0.91 -4.78 118.16 116.86 1u6p n LYS 42 Ca -0.09 -0.00 -0.02 0.00 -2.02 0.00 0.00 58.31 56.18 1u6p n LYS 42 Cb 0.74 -1.50 -0.01 0.00 -0.02 0.00 0.00 35.03 34.24 1u6p n LYS 42 CO 0.00 0.00 0.00 -1.00 -0.52 0.00 0.00 177.40 175.88 1u6p h PRO 43 N 11.98 -0.10 -3.35 1.97 0.13 -1.91 -3.50 132.00 137.22 1u6p h PRO 43 Ca -0.05 0.01 -0.04 0.00 -0.87 0.00 0.00 66.00 65.04 1u6p h PRO 43 Cb 1.31 0.02 -0.05 0.00 0.13 0.00 0.00 31.00 32.42 1u6p h PRO 43 CO 1.39 -0.07 0.09 0.50 -0.23 0.00 0.00 178.00 179.68 1u6p s ARG 44 N -1.86 1.88 -0.02 0.86 6.06 -1.26 -5.19 118.95 119.42 1u6p s ARG 44 Ca -0.02 -1.32 -0.30 0.00 -2.50 0.00 0.00 55.73 51.60 1u6p s ARG 44 Cb 0.00 0.55 0.11 0.00 0.06 0.00 0.00 34.95 35.67 1u6p s ARG 44 CO 0.05 -0.84 1.30 0.20 -2.50 0.00 0.00 175.30 173.51 1u6p s GLY 45 N -3.04 -0.26 0.48 8.12 0.00 -1.26 -4.50 107.32 106.86 1u6p s GLY 45 Ca 0.18 0.35 -0.20 0.00 0.00 0.00 0.00 44.72 45.05 1u6p s GLY 45 CO 0.11 3.22 1.04 2.56 0.00 0.00 0.00 173.10 180.03 1u6p s PRO 46 N -2.16 3.81 -0.00 2.90 0.04 -1.26 -5.18 135.00 133.15 1u6p s PRO 46 Ca 0.23 1.36 0.04 0.00 0.04 0.00 0.00 61.00 62.67 1u6p s PRO 46 Cb 0.02 -2.11 -0.01 0.00 0.04 0.00 0.00 34.50 32.44 1u6p s PRO 46 CO -0.02 -0.42 -0.12 0.50 0.04 0.00 0.00 177.00 176.97 1u6p s ARG 47 N -3.21 0.93 0.07 4.56 3.52 -1.26 -5.12 118.95 118.44 1u6p s ARG 47 Ca 0.67 -0.48 -0.31 0.00 -0.13 0.00 0.00 55.73 55.49 1u6p s ARG 47 Cb -0.16 -0.90 -0.06 0.00 -1.56 0.00 0.00 34.95 32.26 1u6p s ARG 47 CO 0.20 0.24 1.31 0.20 -0.81 0.00 0.00 175.30 176.44 1u6p s GLY 48 N -0.44 2.13 -0.54 8.12 0.00 -1.26 -4.95 107.32 110.38 1u6p s GLY 48 Ca 0.04 0.96 -0.28 0.00 0.00 0.00 0.00 44.72 45.44 1u6p s GLY 48 CO -0.00 2.25 1.49 2.56 0.00 0.00 0.00 173.10 179.39 1u6p s PRO 49 N 1.33 3.25 -0.09 2.90 0.04 -1.26 -4.99 135.00 136.18 1u6p s PRO 49 Ca 0.62 0.56 0.03 0.00 0.04 0.00 0.00 61.00 62.25 1u6p s PRO 49 Cb -0.33 -4.15 -0.02 0.00 0.04 0.00 0.00 34.50 30.05 1u6p s PRO 49 CO 0.29 -1.99 -0.17 1.03 0.04 0.00 0.00 177.00 176.20 1u6p s ARG 50 N 5.64 2.90 0.75 4.56 1.81 -1.26 -5.12 118.95 128.23 1u6p s ARG 50 Ca 0.56 -0.75 -0.11 0.00 -1.72 0.00 0.00 55.73 53.71 1u6p s ARG 50 Cb -0.12 -2.43 0.04 0.00 -0.45 0.00 0.00 34.95 32.00 1u6p s ARG 50 CO 0.26 0.38 1.08 -1.25 -0.68 0.00 0.00 175.30 175.09 1u6p s PRO 51 N -0.11 2.48 -0.40 3.54 0.04 -1.26 -4.96 135.00 134.34 1u6p s PRO 51 Ca -0.03 0.78 0.05 0.00 0.04 0.00 0.00 61.00 61.84 1u6p s PRO 51 Cb -0.14 -1.95 0.17 0.00 0.04 0.00 0.00 34.50 32.62 1u6p s PRO 51 CO 0.04 -1.38 0.48 -0.65 0.04 0.00 0.00 177.00 175.53 1u6p s GLN 52 N -5.11 0.75 -0.06 4.56 -1.52 -1.26 -5.09 119.66 111.93 1u6p s GLN 52 Ca 0.59 -0.80 -0.02 0.00 -1.95 0.00 0.00 55.36 53.19 1u6p s GLN 52 Cb -0.14 -0.47 0.04 0.00 -0.22 0.00 0.00 33.01 32.21 1u6p s GLN 52 CO 0.55 -1.22 0.12 -0.08 -0.25 0.00 0.00 175.29 174.40 1u6p s THR 53 N 1.40 -0.08 0.00 -0.19 -1.32 -1.26 -5.00 115.64 109.19 1u6p s THR 53 Ca 0.19 0.22 0.00 0.00 -1.21 0.00 0.00 61.69 60.89 1u6p s THR 53 Cb -0.10 -0.21 0.00 0.00 -1.51 0.00 0.00 72.50 70.68 1u6p s THR 53 CO -0.05 0.09 0.00 -1.20 -2.21 0.00 0.00 174.62 171.25 1u6p n SER 54 N 4.39 0.00 -3.59 8.08 7.64 -1.26 -5.18 113.62 123.70 1u6p n SER 54 Ca -0.23 0.00 -0.04 0.00 1.01 0.00 0.00 58.87 59.60 1u6p n SER 54 Cb 0.51 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.69 1u6p n SER 54 CO 0.00 0.00 0.00 -1.48 -3.01 0.00 0.00 175.04 170.55 1u6p s LEU 55 N 0.00 -0.19 0.00 -3.43 0.05 -1.26 -5.36 118.68 108.49 1u6p s LEU 55 Ca 0.00 -0.06 0.00 0.00 0.05 0.00 0.00 54.13 54.12 1u6p s LEU 55 Cb 0.00 1.62 0.00 0.00 -2.05 0.00 0.00 46.19 45.76 1u6p s LEU 55 CO 0.00 -0.40 0.00 -0.11 -0.55 0.00 0.00 176.35 175.29