#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 -0.06 0.00 -1.32 -1.26 -5.18 115.64 107.82 1u6p s THR 2 Ca 0.00 0.00 -0.30 0.00 -1.21 0.00 0.00 61.69 60.18 1u6p s THR 2 Cb 0.00 -1.00 0.11 0.00 -1.51 0.00 0.00 72.50 70.10 1u6p s THR 2 CO 0.00 0.00 0.94 0.54 -2.21 0.00 0.00 174.62 173.89 1u6p s VAL 3 N -1.49 0.00 0.05 5.08 0.11 -1.26 -5.18 120.40 117.71 1u6p s VAL 3 Ca -0.04 0.00 -0.15 0.00 -2.93 0.00 0.00 61.98 58.86 1u6p s VAL 3 Cb -0.00 -1.00 0.03 0.00 -1.53 0.00 0.00 36.38 33.87 1u6p s VAL 3 CO 0.02 0.00 0.35 0.54 -3.33 0.00 0.00 175.10 172.68 1u6p s VAL 4 N -2.49 0.07 -0.19 2.04 0.11 -1.26 -5.17 120.40 113.52 1u6p s VAL 4 Ca 0.03 -0.61 -0.30 0.00 -2.93 0.00 0.00 61.98 58.17 1u6p s VAL 4 Cb -0.01 -0.99 0.14 0.00 -1.53 0.00 0.00 36.38 34.00 1u6p s VAL 4 CO -0.05 -0.34 1.10 -0.55 -3.33 0.00 0.00 175.10 171.93 1u6p s SER 5 N -2.16 -0.27 0.00 3.54 0.15 -1.26 -5.19 113.70 108.52 1u6p s SER 5 Ca -0.04 0.27 0.00 0.00 0.70 0.00 0.00 55.95 56.88 1u6p s SER 5 Cb -0.00 0.22 0.00 0.00 -1.71 0.00 0.00 66.02 64.53 1u6p s SER 5 CO -0.04 -0.26 0.00 0.61 1.20 0.00 0.00 173.24 174.74 1u6p n GLY 6 N 0.59 3.22 3.22 9.45 0.00 -1.26 -5.18 105.19 115.23 1u6p n GLY 6 Ca -0.07 -1.27 -0.17 0.00 0.00 0.00 0.00 46.02 44.51 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 -1.32 0.97 0.15 1.61 -0.21 -1.26 -5.16 119.66 114.44 1u6p s GLN 7 Ca 0.00 -1.21 0.04 0.00 0.02 0.00 0.00 55.36 54.21 1u6p s GLN 7 Cb 0.00 -0.80 -0.04 0.00 1.00 0.00 0.00 33.01 33.16 1u6p s GLN 7 CO 0.00 0.15 -0.09 -1.59 -2.12 0.00 0.00 175.29 171.64 1u6p s LYS 8 N -2.69 1.07 -0.17 2.91 0.00 -1.26 -5.16 119.74 114.44 1u6p s LYS 8 Ca 0.08 -1.46 -0.32 0.00 0.00 0.00 0.00 55.97 54.27 1u6p s LYS 8 Cb -0.04 -0.58 0.14 0.00 0.00 0.00 0.00 37.83 37.35 1u6p s LYS 8 CO 0.02 0.05 1.13 -0.65 0.00 0.00 0.00 175.35 175.90 1u6p s GLN 9 N -3.77 0.42 -0.26 1.78 -0.21 -1.26 -5.13 119.66 111.23 1u6p s GLN 9 Ca 0.17 -0.06 -0.29 0.00 0.02 0.00 0.00 55.36 55.20 1u6p s GLN 9 Cb 0.03 0.20 0.18 0.00 1.00 0.00 0.00 33.01 34.42 1u6p s GLN 9 CO 0.01 -0.17 1.29 -0.51 -2.12 0.00 0.00 175.29 173.79 1u6p s ASP 10 N -1.76 -0.11 -0.13 5.90 1.01 -1.26 -5.17 116.67 115.15 1u6p s ASP 10 Ca 0.06 0.12 -0.08 0.00 0.71 0.00 0.00 52.55 53.36 1u6p s ASP 10 Cb -0.01 0.09 0.05 0.00 1.01 0.00 0.00 42.92 44.06 1u6p s ASP 10 CO -0.04 -0.10 0.31 -0.13 0.21 0.00 0.00 175.17 175.42 1u6p s ARG 11 N -1.01 0.30 0.01 8.23 3.00 -1.26 -5.01 118.95 123.21 1u6p s ARG 11 Ca 0.07 0.60 -0.28 0.00 0.00 0.00 0.00 55.73 56.12 1u6p s ARG 11 Cb -0.01 -0.03 0.09 0.00 0.00 0.00 0.00 34.95 35.00 1u6p s ARG 11 CO -0.06 -0.14 0.74 1.14 0.00 0.00 0.00 175.30 176.99 1u6p s GLN 12 N 1.09 1.01 -0.29 3.54 0.00 -1.26 -5.18 119.66 118.57 1u6p s GLN 12 Ca -0.08 -0.12 -0.25 0.00 -0.00 0.00 0.00 55.36 54.91 1u6p s GLN 12 Cb -0.08 0.47 0.18 0.00 0.00 0.00 0.00 33.01 33.59 1u6p s GLN 12 CO -0.08 -0.39 1.40 0.20 0.00 0.00 0.00 175.29 176.42 1u6p s GLY 13 N -1.97 0.29 0.00 2.60 0.00 -1.26 -5.06 107.32 101.93 1u6p s GLY 13 Ca -0.02 3.40 0.00 0.00 0.00 0.00 0.00 44.72 48.09 1u6p s GLY 13 CO -0.03 1.86 0.00 0.61 0.00 0.00 0.00 173.10 175.54 1u6p n GLY 14 N 1.55 0.70 0.00 0.20 0.00 -1.26 -5.14 105.19 101.23 1u6p n GLY 14 Ca -0.10 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 45.61 1u6p n GLY 14 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1u6p n GLU 15 N 0.00 0.00 -0.89 1.61 0.28 -1.26 -5.17 120.64 115.21 1u6p n GLU 15 Ca 0.00 0.00 -0.29 0.00 -0.16 0.00 0.00 57.16 56.71 1u6p n GLU 15 Cb 0.00 0.00 0.19 0.00 1.43 0.00 0.00 31.44 33.06 1u6p n GLU 15 CO 0.00 0.00 0.00 1.03 -0.16 0.00 0.00 177.13 178.00 1u6p s ARG 16 N -2.00 0.25 0.26 3.44 3.00 -1.26 -4.78 118.95 117.87 1u6p s ARG 16 Ca 0.00 0.86 0.00 0.00 0.00 0.00 0.00 55.73 56.59 1u6p s ARG 16 Cb 0.00 -1.69 0.00 0.00 0.00 0.00 0.00 34.95 33.26 1u6p s ARG 16 CO 0.00 -2.94 0.00 0.54 0.00 0.00 0.00 175.30 172.90 1u6p n ARG 17 N -4.37 -4.50 -0.68 3.54 1.74 -1.26 -4.67 116.66 106.46 1u6p n ARG 17 Ca 0.06 3.25 -0.09 0.00 -0.77 0.00 0.00 57.85 60.30 1u6p n ARG 17 Cb 0.55 -3.51 0.03 0.00 -1.02 0.00 0.00 32.46 28.50 1u6p n ARG 17 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1u6p n ARG 18 N 0.84 1.46 0.00 5.56 1.74 -1.26 -4.79 116.66 120.21 1u6p n ARG 18 Ca 0.00 -0.92 0.00 0.00 -0.77 0.00 0.00 57.85 56.16 1u6p n ARG 18 Cb 0.00 -1.36 0.00 0.00 -1.02 0.00 0.00 32.46 30.08 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 0.71 0.00 0.00 0.55 2.88 -1.26 -1.55 113.62 114.95 1u6p n SER 19 Ca 0.18 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.72 1u6p n SER 19 Cb 0.58 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.04 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 0.00 -1.26 -1.46 6.02 -1.26 -5.08 117.38 114.33 1u6p n GLN 20 Ca 0.00 0.00 -0.43 0.00 -0.01 0.00 0.00 57.00 56.56 1u6p n GLN 20 Cb 0.00 0.00 -0.12 0.00 1.02 0.00 0.00 30.24 31.14 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 0.00 0.40 -4.82 1.08 0.00 -0.59 -4.83 117.00 108.24 1u6p n LEU 21 Ca 0.00 0.32 -0.34 0.00 0.00 0.00 0.00 56.01 55.98 1u6p n LEU 21 Cb 0.00 -0.82 -0.07 0.00 0.00 0.00 0.00 43.42 42.54 1u6p n LEU 21 CO 0.00 -0.66 0.56 -0.62 0.00 0.00 0.00 177.39 176.67 1u6p s ASP 22 N 7.12 7.02 0.00 1.96 -1.08 -1.26 -4.92 116.67 125.51 1u6p s ASP 22 Ca 1.17 1.59 0.10 0.00 -0.52 0.00 0.00 52.55 54.89 1u6p s ASP 22 Cb -1.20 -2.49 0.53 0.00 -1.46 0.00 0.00 42.92 38.29 1u6p s ASP 22 CO 0.49 -0.19 1.22 -1.14 0.52 0.00 0.00 175.17 176.07 1u6p n ARG 23 N -0.08 0.15 -0.73 4.34 3.00 -1.26 -1.14 116.66 120.94 1u6p n ARG 23 Ca 0.04 0.19 0.06 0.00 -0.00 0.00 0.00 57.85 58.13 1u6p n ARG 23 Cb 0.52 -1.50 0.12 0.00 0.00 0.00 0.00 32.46 31.61 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 -1.28 1.45 -4.63 6.15 -0.08 -1.26 -5.06 116.55 111.85 1u6p n ASP 24 Ca 0.05 -3.05 -0.28 0.00 -1.51 0.00 0.00 54.79 50.00 1u6p n ASP 24 Cb 0.08 -0.41 -0.10 0.00 2.34 0.00 0.00 41.12 43.03 1u6p n ASP 24 CO 0.00 0.00 0.00 -1.58 0.12 0.00 0.00 177.20 175.74 1u6p s GLN 25 N -1.97 1.98 -0.18 -0.67 2.00 -0.30 -1.59 119.66 118.95 1u6p s GLN 25 Ca 0.32 -2.16 -0.09 0.00 -2.00 0.00 0.00 55.36 51.43 1u6p s GLN 25 Cb 0.32 -1.54 -0.05 0.00 0.80 0.00 0.00 33.01 32.54 1u6p s GLN 25 CO -0.07 -0.13 0.12 0.00 -0.50 0.00 0.00 175.29 174.71 1u6p n ALA 27 N 3.15 4.18 0.07 0.00 0.00 -1.26 -1.68 120.51 124.97 1u6p n ALA 27 Ca -0.17 -1.70 0.00 0.00 0.00 0.00 0.00 53.44 51.57 1u6p n ALA 27 Cb 0.53 -1.23 0.00 0.00 0.00 0.00 0.00 19.45 18.75 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 -0.26 -0.91 0.27 0.00 4.19 -1.26 -4.87 117.16 114.31 1u6p n TYR 28 Ca 0.33 0.16 0.08 0.00 3.31 0.00 0.00 57.90 61.77 1u6p n TYR 28 Cb 1.15 0.28 -0.11 0.00 0.49 0.00 0.00 39.34 41.15 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 -1.79 0.00 -1.37 0.00 4.76 -0.67 -4.89 118.16 114.20 1u6p n LYS 30 Ca -0.01 0.00 -0.45 0.00 -2.87 0.00 0.00 58.31 54.98 1u6p n LYS 30 Cb 0.35 -0.27 -0.02 0.00 -1.84 0.00 0.00 35.03 33.25 1u6p n LYS 30 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 1u6p n GLU 31 N -1.25 0.06 -3.86 1.97 1.02 -1.26 -3.39 120.64 113.93 1u6p n GLU 31 Ca 0.00 0.02 -0.36 0.00 -0.02 0.00 0.00 57.16 56.80 1u6p n GLU 31 Cb 0.00 -1.05 -0.07 0.00 -0.02 0.00 0.00 31.44 30.30 1u6p n GLU 31 CO 0.00 0.00 0.00 -1.59 1.18 0.00 0.00 177.13 176.72 1u6p s LYS 32 N -1.04 3.66 0.00 3.49 -2.85 -1.26 0.55 119.74 122.29 1u6p s LYS 32 Ca 0.62 -0.18 0.00 0.00 -1.00 0.00 0.00 55.97 55.41 1u6p s LYS 32 Cb -0.79 -3.24 0.00 0.00 -2.06 0.00 0.00 37.83 31.74 1u6p s LYS 32 CO 0.59 0.62 0.00 0.41 0.10 0.00 0.00 175.35 177.07 1u6p n GLY 33 N 2.50 3.70 3.75 0.59 0.00 -0.62 -4.98 105.19 110.14 1u6p n GLY 33 Ca -0.19 -0.86 -0.24 0.00 0.00 0.00 0.00 46.02 44.73 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 2.62 0.34 1.61 -3.43 -1.26 -4.94 115.29 110.23 1u6p s HIS 34 Ca 0.00 -0.57 0.08 0.00 -0.80 0.00 0.00 55.06 53.76 1u6p s HIS 34 Cb 0.00 -1.97 -0.03 0.00 -1.43 0.00 0.00 32.58 29.15 1u6p s HIS 34 CO 0.00 0.16 0.28 -1.58 -2.00 0.00 0.00 174.74 171.60 1u6p s TRP 35 N -2.58 2.87 0.34 0.38 0.52 -1.26 -2.93 118.94 116.28 1u6p s TRP 35 Ca 0.42 -0.32 0.02 0.00 0.02 0.00 0.00 56.10 56.24 1u6p s TRP 35 Cb 0.03 -1.80 0.62 0.00 -1.15 0.00 0.00 33.47 31.17 1u6p s TRP 35 CO 0.23 0.18 1.98 0.00 0.02 0.00 0.00 176.95 179.36 1u6p h ALA 36 N 1.27 1.57 0.00 0.98 0.00 -1.89 0.63 119.26 121.81 1u6p h ALA 36 Ca -0.44 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1u6p h ALA 36 Cb 1.25 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.79 1u6p h ALA 36 CO 0.59 0.36 0.00 1.63 0.00 0.00 0.00 179.25 181.83 1u6p n LYS 37 N -4.45 0.23 -0.35 0.00 4.76 -1.26 -1.52 118.16 115.56 1u6p n LYS 37 Ca 0.09 0.14 0.04 0.00 -2.87 0.00 0.00 58.31 55.71 1u6p n LYS 37 Cb 0.11 -1.50 0.06 0.00 -1.84 0.00 0.00 35.03 31.86 1u6p n LYS 37 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 1u6p n ASP 38 N -1.27 0.95 -4.73 4.39 8.00 0.18 -5.07 116.55 119.00 1u6p n ASP 38 Ca 0.07 -2.44 -0.42 0.00 0.71 0.00 0.00 54.79 52.71 1u6p n ASP 38 Cb 0.11 -0.29 -0.03 0.00 -0.02 0.00 0.00 41.12 40.89 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 3.05 0.75 0.08 0.00 -0.04 -1.26 -2.12 135.00 135.46 1u6p n PRO 40 Ca 0.08 0.00 0.10 0.00 -0.04 0.00 0.00 63.50 63.64 1u6p n PRO 40 Cb 0.42 -1.45 -0.03 0.00 -0.04 0.00 0.00 33.50 32.39 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 -0.95 0.61 -1.46 0.54 5.02 -1.26 -4.87 118.16 115.80 1u6p n LYS 41 Ca 0.16 0.09 -0.47 0.00 -2.02 0.00 0.00 58.31 56.08 1u6p n LYS 41 Cb 0.07 -1.79 -0.09 0.00 -0.02 0.00 0.00 35.03 33.21 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 0.70 -2.33 1.97 5.02 -0.90 -4.78 118.16 115.19 1u6p n LYS 42 Ca -0.02 0.13 -0.36 0.00 -2.02 0.00 0.00 58.31 56.05 1u6p n LYS 42 Cb 0.59 -2.32 -0.03 0.00 -0.02 0.00 0.00 35.03 33.25 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 7.25 3.24 -0.35 1.97 0.04 -1.26 -4.39 135.00 141.49 1u6p s PRO 43 Ca 1.15 -1.49 0.05 0.00 0.04 0.00 0.00 61.00 60.75 1u6p s PRO 43 Cb -0.89 -5.37 0.32 0.00 0.04 0.00 0.00 34.50 28.59 1u6p s PRO 43 CO 0.46 -3.07 1.34 2.89 0.04 0.00 0.00 177.00 178.66 1u6p n ARG 44 N 8.41 0.35 0.00 4.56 1.85 -1.26 -5.15 116.66 125.41 1u6p n ARG 44 Ca 0.46 -0.98 0.00 0.00 -1.00 0.00 0.00 57.85 56.33 1u6p n ARG 44 Cb 0.47 -0.33 0.00 0.00 -1.05 0.00 0.00 32.46 31.54 1u6p n ARG 44 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1u6p n GLY 45 N 0.41 -3.60 0.17 2.89 0.00 -1.26 -5.00 105.19 98.80 1u6p n GLY 45 Ca -0.04 -2.06 -0.05 0.00 0.00 0.00 0.00 46.02 43.87 1u6p n GLY 45 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1u6p h PRO 46 N 0.00 -0.32 0.00 1.61 0.13 -1.99 -3.48 132.00 127.95 1u6p h PRO 46 Ca 0.00 0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.15 1u6p h PRO 46 Cb 0.00 0.07 0.00 0.00 0.13 0.00 0.00 31.00 31.20 1u6p h PRO 46 CO 0.00 -0.22 0.00 -2.13 -0.23 0.00 0.00 178.00 175.42 1u6p n ARG 47 N -4.98 0.00 0.00 0.86 0.63 -1.26 -5.13 116.66 106.78 1u6p n ARG 47 Ca -0.04 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.89 1u6p n ARG 47 Cb 0.13 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.04 1u6p n ARG 47 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1u6p n GLY 48 N -0.11 -1.91 3.78 5.14 0.00 -1.26 -5.17 105.19 105.66 1u6p n GLY 48 Ca 0.00 0.90 -0.29 0.00 0.00 0.00 0.00 46.02 46.63 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 0.00 0.93 -0.42 1.61 0.04 -1.26 -5.05 135.00 130.84 1u6p s PRO 49 Ca 0.00 0.22 0.03 0.00 0.04 0.00 0.00 61.00 61.29 1u6p s PRO 49 Cb 0.00 -1.82 0.16 0.00 0.04 0.00 0.00 34.50 32.88 1u6p s PRO 49 CO 0.00 -2.33 0.33 0.50 0.04 0.00 0.00 177.00 175.54 1u6p s ARG 50 N -5.33 0.94 0.00 4.56 3.52 -1.26 -5.11 118.95 116.28 1u6p s ARG 50 Ca 0.65 -2.06 -0.30 0.00 -0.13 0.00 0.00 55.73 53.89 1u6p s ARG 50 Cb -0.14 -1.52 -0.04 0.00 -1.56 0.00 0.00 34.95 31.69 1u6p s ARG 50 CO 0.53 -1.35 1.19 -1.25 -0.81 0.00 0.00 175.30 173.61 1u6p s PRO 51 N 0.14 4.40 0.20 5.12 0.04 -1.26 -5.03 135.00 138.60 1u6p s PRO 51 Ca 0.30 1.71 0.10 0.00 0.04 0.00 0.00 61.00 63.15 1u6p s PRO 51 Cb -0.01 -3.45 -0.04 0.00 0.04 0.00 0.00 34.50 31.03 1u6p s PRO 51 CO -0.16 -0.34 -0.15 1.14 0.04 0.00 0.00 177.00 177.53 1u6p s GLN 52 N 1.61 1.85 -0.12 4.56 -2.07 -1.26 -5.13 119.66 119.10 1u6p s GLN 52 Ca 0.57 -1.41 -0.04 0.00 -1.82 0.00 0.00 55.36 52.65 1u6p s GLN 52 Cb -0.27 -2.01 0.06 0.00 -1.09 0.00 0.00 33.01 29.70 1u6p s GLN 52 CO 0.26 0.41 0.23 0.99 -1.32 0.00 0.00 175.29 175.86 1u6p s THR 53 N -1.81 -0.35 -0.28 3.63 2.01 -1.26 -5.14 115.64 112.45 1u6p s THR 53 Ca 0.24 0.29 -0.22 0.00 0.31 0.00 0.00 61.69 62.31 1u6p s THR 53 Cb -0.08 -0.40 0.10 0.00 0.01 0.00 0.00 72.50 72.14 1u6p s THR 53 CO 0.14 0.12 0.88 -0.44 -0.69 0.00 0.00 174.62 174.63 1u6p s SER 54 N 2.29 -0.62 0.29 3.53 0.01 -1.26 -5.18 113.70 112.76 1u6p s SER 54 Ca 0.01 1.13 0.07 0.00 1.31 0.00 0.00 55.95 58.47 1u6p s SER 54 Cb -0.12 1.18 -0.06 0.00 0.21 0.00 0.00 66.02 67.23 1u6p s SER 54 CO -0.08 -0.19 -0.05 -1.48 0.41 0.00 0.00 173.24 171.85 1u6p s LEU 55 N 0.64 2.49 0.00 2.44 2.34 -1.26 -5.36 118.68 119.96 1u6p s LEU 55 Ca -0.01 -1.21 0.00 0.00 0.06 0.00 0.00 54.13 52.97 1u6p s LEU 55 Cb -0.05 -0.65 0.00 0.00 -0.56 0.00 0.00 46.19 44.93 1u6p s LEU 55 CO -0.07 -0.35 0.41 0.00 -1.06 0.00 0.00 176.35 175.27