#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 -0.29 0.00 -4.23 -1.26 -5.16 115.64 104.69 1u6p s THR 2 Ca 0.00 0.01 -0.23 0.00 -1.18 0.00 0.00 61.69 60.29 1u6p s THR 2 Cb 0.00 -0.90 0.18 0.00 1.34 0.00 0.00 72.50 73.12 1u6p s THR 2 CO 0.00 0.00 1.30 0.54 -0.54 0.00 0.00 174.62 175.92 1u6p s VAL 3 N 0.89 0.00 0.00 2.29 0.11 -1.26 -5.07 120.40 117.36 1u6p s VAL 3 Ca -0.04 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.01 1u6p s VAL 3 Cb -0.05 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.80 1u6p s VAL 3 CO -0.08 0.00 0.00 0.55 -3.33 0.00 0.00 175.10 172.24 1u6p n VAL 4 N 2.15 0.00 -3.57 2.04 3.14 -1.26 -5.12 118.33 115.71 1u6p n VAL 4 Ca -0.13 0.00 -0.09 0.00 -2.96 0.00 0.00 64.34 61.16 1u6p n VAL 4 Cb 0.57 -0.83 -0.04 0.00 -1.06 0.00 0.00 33.84 32.48 1u6p n VAL 4 CO 0.00 0.00 0.00 -0.55 -6.46 0.00 0.00 176.83 169.82 1u6p s SER 5 N -4.48 -0.33 0.00 6.55 0.15 -1.26 -5.17 113.70 109.16 1u6p s SER 5 Ca 0.00 0.25 0.00 0.00 0.70 0.00 0.00 55.95 56.90 1u6p s SER 5 Cb 0.00 0.29 0.00 0.00 -1.71 0.00 0.00 66.02 64.60 1u6p s SER 5 CO 0.00 -0.38 0.00 0.61 1.20 0.00 0.00 173.24 174.67 1u6p n GLY 6 N 0.41 -3.11 0.00 9.45 0.00 -1.26 -5.09 105.19 105.60 1u6p n GLY 6 Ca -0.08 -1.04 0.00 0.00 0.00 0.00 0.00 46.02 44.90 1u6p n GLY 6 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1u6p n GLN 7 N 0.00 0.00 -4.06 1.61 6.02 -1.26 -5.16 117.38 114.54 1u6p n GLN 7 Ca 0.00 0.00 -0.36 0.00 -0.01 0.00 0.00 57.00 56.63 1u6p n GLN 7 Cb 0.00 0.00 -0.07 0.00 1.02 0.00 0.00 30.24 31.19 1u6p n GLN 7 CO 0.00 0.00 0.00 -1.59 -1.01 0.00 0.00 177.06 174.46 1u6p s LYS 8 N -2.00 3.27 -0.22 -1.09 -2.85 -1.26 -5.09 119.74 110.50 1u6p s LYS 8 Ca 0.00 -0.24 -0.13 0.00 -1.00 0.00 0.00 55.97 54.60 1u6p s LYS 8 Cb 0.00 -3.04 0.07 0.00 -2.06 0.00 0.00 37.83 32.80 1u6p s LYS 8 CO 0.00 0.75 0.54 1.14 0.10 0.00 0.00 175.35 177.87 1u6p s GLN 9 N -1.02 0.55 0.57 1.78 -2.07 -1.26 -5.12 119.66 113.09 1u6p s GLN 9 Ca 0.15 0.95 0.00 0.00 -1.82 0.00 0.00 55.36 54.64 1u6p s GLN 9 Cb -0.12 0.08 0.00 0.00 -1.09 0.00 0.00 33.01 31.89 1u6p s GLN 9 CO 0.04 -0.14 0.00 -0.25 -1.32 0.00 0.00 175.29 173.62 1u6p n ASP 10 N 4.09 -8.65 -4.21 12.60 9.92 -1.26 -4.96 116.55 124.07 1u6p n ASP 10 Ca -0.21 1.64 -0.30 0.00 -0.53 0.00 0.00 54.79 55.40 1u6p n ASP 10 Cb 0.57 -5.07 -0.16 0.00 -0.64 0.00 0.00 41.12 35.82 1u6p n ASP 10 CO 0.00 0.00 0.00 -0.60 0.13 0.00 0.00 177.20 176.73 1u6p s ARG 11 N -4.71 2.39 0.38 -1.24 6.06 -1.26 -5.10 118.95 115.46 1u6p s ARG 11 Ca 0.00 -0.80 -0.27 0.00 -2.50 0.00 0.00 55.73 52.17 1u6p s ARG 11 Cb 0.00 -1.99 -0.11 0.00 0.06 0.00 0.00 34.95 32.91 1u6p s ARG 11 CO 0.00 0.29 1.24 0.00 -2.50 0.00 0.00 175.30 174.33 1u6p n GLN 12 N 3.14 1.95 0.00 5.12 10.64 -1.26 -4.39 117.38 132.58 1u6p n GLN 12 Ca -0.18 0.69 0.00 0.00 -1.83 0.00 0.00 57.00 55.68 1u6p n GLN 12 Cb 0.52 -2.30 0.00 0.00 -0.86 0.00 0.00 30.24 27.61 1u6p n GLN 12 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1u6p n GLY 13 N 0.84 1.06 0.00 2.61 0.00 -1.26 -4.93 105.19 103.52 1u6p n GLY 13 Ca 0.06 0.48 0.00 0.00 0.00 0.00 0.00 46.02 46.56 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 2.54 3.12 -0.02 0.00 -1.26 -5.12 105.19 104.45 1u6p n GLY 14 Ca 0.00 -1.94 -0.08 0.00 0.00 0.00 0.00 46.02 44.01 1u6p n GLY 14 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1u6p s GLU 15 N -2.93 0.69 -0.01 1.61 2.12 -1.26 -5.11 118.70 113.81 1u6p s GLU 15 Ca 0.00 -1.21 -0.31 0.00 0.36 0.00 0.00 54.97 53.81 1u6p s GLU 15 Cb 0.00 0.23 -0.10 0.00 0.26 0.00 0.00 34.13 34.53 1u6p s GLU 15 CO 0.00 -0.15 1.95 0.54 -0.54 0.00 0.00 175.26 177.05 1u6p n ARG 16 N 0.06 2.65 -3.54 4.30 1.74 -1.26 -4.94 116.66 115.67 1u6p n ARG 16 Ca -0.13 0.97 -0.16 0.00 -0.77 0.00 0.00 57.85 57.76 1u6p n ARG 16 Cb 0.62 -2.89 -0.06 0.00 -1.02 0.00 0.00 32.46 29.10 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 4.37 0.94 -1.05 5.56 3.52 -1.26 -5.06 118.95 125.96 1u6p s ARG 17 Ca 0.90 0.25 -0.24 0.00 -0.13 0.00 0.00 55.73 56.52 1u6p s ARG 17 Cb -0.52 0.44 -0.14 0.00 -1.56 0.00 0.00 34.95 33.17 1u6p s ARG 17 CO 0.45 -0.29 1.95 0.54 -0.81 0.00 0.00 175.30 177.15 1u6p n ARG 18 N 0.91 1.23 0.00 5.12 1.74 -1.26 -4.82 116.66 119.58 1u6p n ARG 18 Ca -0.17 -2.17 0.00 0.00 -0.77 0.00 0.00 57.85 54.74 1u6p n ARG 18 Cb 0.57 -3.60 0.00 0.00 -1.02 0.00 0.00 32.46 28.41 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 14.27 0.00 -2.70 0.55 2.88 -1.26 -1.88 113.62 125.48 1u6p n SER 19 Ca 0.45 0.00 -0.05 0.00 -1.33 0.00 0.00 58.87 57.94 1u6p n SER 19 Cb 0.46 0.00 0.10 0.00 -0.75 0.00 0.00 64.21 64.02 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 1.30 -1.50 -1.46 6.02 -1.26 -5.08 117.38 115.39 1u6p n GLN 20 Ca 0.00 -2.06 -0.41 0.00 -0.01 0.00 0.00 57.00 54.52 1u6p n GLN 20 Cb 0.00 -0.27 -0.14 0.00 1.02 0.00 0.00 30.24 30.86 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 -0.79 0.51 -4.81 1.08 0.00 -0.79 -4.84 117.00 107.36 1u6p n LEU 21 Ca -0.04 0.12 -0.33 0.00 0.00 0.00 0.00 56.01 55.76 1u6p n LEU 21 Cb 0.85 -0.99 -0.04 0.00 0.00 0.00 0.00 43.42 43.24 1u6p n LEU 21 CO -0.03 -0.81 0.69 -0.62 0.00 0.00 0.00 177.39 176.62 1u6p s ASP 22 N 9.27 6.53 0.01 1.96 2.15 -1.26 -4.90 116.67 130.42 1u6p s ASP 22 Ca 1.32 1.76 0.07 0.00 0.43 0.00 0.00 52.55 56.13 1u6p s ASP 22 Cb -1.15 -2.54 0.29 0.00 -0.30 0.00 0.00 42.92 39.21 1u6p s ASP 22 CO 0.47 -0.65 1.21 -1.14 -0.17 0.00 0.00 175.17 174.89 1u6p n ARG 23 N -1.12 0.00 -1.22 4.34 3.00 -1.26 -1.14 116.66 119.27 1u6p n ARG 23 Ca 0.08 0.40 0.03 0.00 -0.00 0.00 0.00 57.85 58.35 1u6p n ARG 23 Cb 0.53 -1.51 0.11 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 -1.52 1.59 -4.21 6.15 2.03 -1.26 -5.04 116.55 114.30 1u6p n ASP 24 Ca 0.01 -2.96 -0.31 0.00 0.52 0.00 0.00 54.79 52.06 1u6p n ASP 24 Cb 0.07 -0.42 -0.17 0.00 -0.72 0.00 0.00 41.12 39.89 1u6p n ASP 24 CO 0.00 0.00 0.00 -1.58 -1.92 0.00 0.00 177.20 173.70 1u6p s GLN 25 N -1.89 2.66 0.20 -0.67 0.74 -0.29 -1.01 119.66 119.39 1u6p s GLN 25 Ca 0.36 -0.83 -0.31 0.00 0.05 0.00 0.00 55.36 54.64 1u6p s GLN 25 Cb 0.38 -2.12 -0.10 0.00 1.10 0.00 0.00 33.01 32.27 1u6p s GLN 25 CO -0.10 0.24 1.53 0.00 -0.55 0.00 0.00 175.29 176.41 1u6p n ALA 27 N 3.31 5.02 0.04 0.00 0.00 -1.26 -1.75 120.51 125.88 1u6p n ALA 27 Ca 0.11 -2.19 0.00 0.00 0.00 0.00 0.00 53.44 51.36 1u6p n ALA 27 Cb 0.39 -1.40 0.00 0.00 0.00 0.00 0.00 19.45 18.44 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 -0.53 -0.57 0.37 0.00 4.19 -1.26 -4.84 117.16 114.52 1u6p n TYR 28 Ca 0.43 0.10 0.06 0.00 3.31 0.00 0.00 57.90 61.80 1u6p n TYR 28 Cb 1.11 0.32 -0.07 0.00 0.49 0.00 0.00 39.34 41.18 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 -1.48 -0.16 -2.99 0.00 4.01 -0.71 -5.00 118.16 111.82 1u6p n LYS 30 Ca 0.01 0.39 -0.41 0.00 -0.51 0.00 0.00 58.31 57.79 1u6p n LYS 30 Cb 0.22 -3.99 -0.05 0.00 -0.51 0.00 0.00 35.03 30.70 1u6p n LYS 30 CO 0.00 0.00 0.00 -1.21 -1.11 0.00 0.00 177.40 175.08 1u6p s GLU 31 N -2.95 4.28 -0.32 1.97 2.02 -1.25 -4.65 118.70 117.81 1u6p s GLU 31 Ca 0.00 0.85 -0.29 0.00 0.02 0.00 0.00 54.97 55.55 1u6p s GLU 31 Cb 0.00 -3.56 0.01 0.00 0.10 0.00 0.00 34.13 30.68 1u6p s GLU 31 CO 0.00 -0.24 1.22 0.21 0.02 0.00 0.00 175.26 176.47 1u6p s LYS 32 N 1.88 3.95 0.00 1.61 2.20 -1.26 -0.27 119.74 127.84 1u6p s LYS 32 Ca 0.35 1.14 0.00 0.00 -0.36 0.00 0.00 55.97 57.10 1u6p s LYS 32 Cb -0.16 -3.84 0.00 0.00 -1.51 0.00 0.00 37.83 32.32 1u6p s LYS 32 CO 0.12 -1.07 0.00 0.41 -0.36 0.00 0.00 175.35 174.45 1u6p n GLY 33 N 4.22 1.48 3.91 5.54 0.00 -0.18 -4.97 105.19 115.19 1u6p n GLY 33 Ca 0.14 -0.12 -0.20 0.00 0.00 0.00 0.00 46.02 45.84 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 2.74 0.36 1.61 -3.43 -1.25 -4.90 115.29 110.42 1u6p s HIS 34 Ca 0.00 -0.46 0.07 0.00 -0.80 0.00 0.00 55.06 53.87 1u6p s HIS 34 Cb 0.00 -2.22 -0.02 0.00 -1.43 0.00 0.00 32.58 28.91 1u6p s HIS 34 CO 0.00 -0.20 0.38 -1.58 -2.00 0.00 0.00 174.74 171.35 1u6p s TRP 35 N -2.43 2.92 0.34 0.38 0.52 -1.26 -1.50 118.94 117.90 1u6p s TRP 35 Ca 0.50 -0.32 0.02 0.00 0.02 0.00 0.00 56.10 56.32 1u6p s TRP 35 Cb -0.05 -1.96 0.61 0.00 -1.15 0.00 0.00 33.47 30.91 1u6p s TRP 35 CO 0.29 0.03 1.99 0.00 0.02 0.00 0.00 176.95 179.28 1u6p h ALA 36 N 1.06 1.54 0.00 0.98 0.00 -1.87 0.53 119.26 121.50 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 1.26 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.78 1u6p h ALA 36 CO 0.55 0.41 0.00 1.63 0.00 0.00 0.00 179.25 181.84 1u6p n LYS 37 N -4.44 0.13 -0.42 0.00 5.02 -1.26 -1.48 118.16 115.71 1u6p n LYS 37 Ca 0.08 0.20 0.05 0.00 -2.02 0.00 0.00 58.31 56.62 1u6p n LYS 37 Cb 0.07 -1.50 0.08 0.00 -0.02 0.00 0.00 35.03 33.66 1u6p n LYS 37 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1u6p n ASP 38 N -1.36 1.25 -4.73 4.39 2.03 0.16 -5.06 116.55 113.23 1u6p n ASP 38 Ca 0.05 -2.65 -0.42 0.00 0.52 0.00 0.00 54.79 52.30 1u6p n ASP 38 Cb 0.13 -0.34 -0.03 0.00 -0.72 0.00 0.00 41.12 40.16 1u6p n ASP 38 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1u6p n PRO 40 N 3.21 0.75 0.04 0.00 -0.04 -1.26 -2.08 135.00 135.62 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 0.44 -1.45 -0.09 0.00 -0.04 0.00 0.00 33.50 32.35 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 0.63 -1.44 0.54 5.02 -1.26 -4.90 118.16 115.80 1u6p n LYS 41 Ca 0.16 -0.03 -0.46 0.00 -2.02 0.00 0.00 58.31 55.97 1u6p n LYS 41 Cb 0.07 -1.67 -0.13 0.00 -0.02 0.00 0.00 35.03 33.29 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 -2.49 0.15 0.00 1.97 5.02 -0.88 -4.80 118.16 117.12 1u6p n LYS 42 Ca -0.04 0.02 0.00 0.00 -2.02 0.00 0.00 58.31 56.27 1u6p n LYS 42 Cb 0.60 -1.71 0.00 0.00 -0.02 0.00 0.00 35.03 33.90 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 8.29 0.00 -3.15 1.97 -0.04 -1.26 -4.99 135.00 135.83 1u6p n PRO 43 Ca 0.60 0.40 0.06 0.00 -0.04 0.00 0.00 63.50 64.51 1u6p n PRO 43 Cb 0.07 -1.02 -0.00 0.00 -0.04 0.00 0.00 33.50 32.50 1u6p n PRO 43 CO 0.00 0.00 0.00 0.50 -0.04 0.00 0.00 175.50 175.96 1u6p s ARG 44 N -1.24 0.05 0.47 0.54 6.06 -1.26 -5.17 118.95 118.40 1u6p s ARG 44 Ca 0.00 0.05 -0.06 0.00 -2.50 0.00 0.00 55.73 53.22 1u6p s ARG 44 Cb 0.00 0.02 0.10 0.00 0.06 0.00 0.00 34.95 35.13 1u6p s ARG 44 CO 0.00 -0.09 0.22 0.41 -2.50 0.00 0.00 175.30 173.34 1u6p n GLY 45 N 5.07 -2.26 0.10 8.12 0.00 -1.26 -4.71 105.19 110.25 1u6p n GLY 45 Ca 0.09 -0.74 -0.03 0.00 0.00 0.00 0.00 46.02 45.34 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 -0.19 -1.56 1.61 0.13 -2.07 -3.52 132.00 126.40 1u6p h PRO 46 Ca -0.10 0.01 0.11 0.00 -0.87 0.00 0.00 66.00 65.15 1u6p h PRO 46 Cb 0.34 0.04 -0.06 0.00 0.13 0.00 0.00 31.00 31.45 1u6p h PRO 46 CO 0.06 -0.12 -0.52 -2.13 -0.23 0.00 0.00 178.00 175.05 1u6p n ARG 47 N -3.66 -1.55 -3.29 0.86 3.00 -1.26 -5.00 116.66 105.75 1u6p n ARG 47 Ca -0.02 1.25 -0.07 0.00 -0.00 0.00 0.00 57.85 59.01 1u6p n ARG 47 Cb 0.08 -1.72 -0.06 0.00 0.00 0.00 0.00 32.46 30.76 1u6p n ARG 47 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.63 177.83 1u6p s GLY 48 N -5.04 -0.61 -0.03 5.14 0.00 -1.26 -5.13 107.32 100.38 1u6p s GLY 48 Ca 0.00 0.73 -0.30 0.00 0.00 0.00 0.00 44.72 45.15 1u6p s GLY 48 CO 0.00 2.99 1.21 2.56 0.00 0.00 0.00 173.10 179.86 1u6p s PRO 49 N 2.60 4.36 -0.27 2.90 0.04 -1.26 -5.01 135.00 138.36 1u6p s PRO 49 Ca 0.12 1.71 -0.01 0.00 0.04 0.00 0.00 61.00 62.86 1u6p s PRO 49 Cb -0.14 -3.52 0.08 0.00 0.04 0.00 0.00 34.50 30.96 1u6p s PRO 49 CO -0.23 -0.42 0.05 0.50 0.04 0.00 0.00 177.00 176.93 1u6p s ARG 50 N 2.02 0.96 -0.30 4.56 3.52 -1.26 -5.10 118.95 123.35 1u6p s ARG 50 Ca 0.57 -0.96 -0.29 0.00 -0.13 0.00 0.00 55.73 54.92 1u6p s ARG 50 Cb -0.26 -2.24 -0.00 0.00 -1.56 0.00 0.00 34.95 30.89 1u6p s ARG 50 CO 0.24 -0.82 1.35 -1.25 -0.81 0.00 0.00 175.30 174.01 1u6p s PRO 51 N 1.57 3.86 0.77 5.12 0.04 -1.26 -4.99 135.00 140.11 1u6p s PRO 51 Ca 0.04 1.26 -0.15 0.00 0.04 0.00 0.00 61.00 62.19 1u6p s PRO 51 Cb -0.18 -3.91 0.05 0.00 0.04 0.00 0.00 34.50 30.50 1u6p s PRO 51 CO -0.16 -1.19 1.12 1.04 0.04 0.00 0.00 177.00 177.86 1u6p n GLN 52 N 7.44 0.39 -4.20 4.56 1.13 -1.26 -5.03 117.38 120.41 1u6p n GLN 52 Ca 0.15 0.20 -0.16 0.00 -1.94 0.00 0.00 57.00 55.25 1u6p n GLN 52 Cb 0.47 -2.37 -0.14 0.00 0.11 0.00 0.00 30.24 28.31 1u6p n GLN 52 CO 0.00 0.00 0.00 0.99 -1.44 0.00 0.00 177.06 176.61 1u6p s THR 53 N -1.94 0.55 -0.21 5.09 2.01 -1.26 -4.98 115.64 114.91 1u6p s THR 53 Ca 0.74 -0.48 -0.06 0.00 0.31 0.00 0.00 61.69 62.20 1u6p s THR 53 Cb -0.32 -0.50 0.02 0.00 0.01 0.00 0.00 72.50 71.71 1u6p s THR 53 CO 0.50 0.03 0.12 -0.24 -0.69 0.00 0.00 174.62 174.33 1u6p n SER 54 N 2.56 -4.41 -4.93 3.53 2.88 -1.26 -5.03 113.62 106.95 1u6p n SER 54 Ca -0.15 1.30 -0.22 0.00 -1.33 0.00 0.00 58.87 58.47 1u6p n SER 54 Cb 0.57 -4.77 0.00 0.00 -0.75 0.00 0.00 64.21 59.26 1u6p n SER 54 CO 0.00 0.00 0.00 -1.48 -1.23 0.00 0.00 175.04 172.33 1u6p s LEU 55 N -1.03 3.17 0.00 2.46 2.34 -1.26 -5.32 118.68 119.04 1u6p s LEU 55 Ca -0.13 -0.87 0.00 0.00 0.06 0.00 0.00 54.13 53.19 1u6p s LEU 55 Cb 0.01 -1.80 0.00 0.00 -0.56 0.00 0.00 46.19 43.84 1u6p s LEU 55 CO 0.68 -0.94 0.00 0.00 -1.06 0.00 0.00 176.35 175.03