#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 -0.02 -0.04 0.00 -1.32 -1.26 -5.15 115.64 107.85 1u6p s THR 2 Ca 0.00 0.08 0.02 0.00 -1.21 0.00 0.00 61.69 60.58 1u6p s THR 2 Cb 0.00 -0.63 0.01 0.00 -1.51 0.00 0.00 72.50 70.37 1u6p s THR 2 CO 0.00 0.03 -0.09 0.68 -2.21 0.00 0.00 174.62 173.03 1u6p s VAL 3 N 1.34 0.84 -0.03 5.08 -7.23 -1.26 -5.11 120.40 114.04 1u6p s VAL 3 Ca -0.09 -0.35 -0.30 0.00 -1.81 0.00 0.00 61.98 59.43 1u6p s VAL 3 Cb -0.08 -0.78 -0.04 0.00 0.56 0.00 0.00 36.38 36.04 1u6p s VAL 3 CO -0.12 0.28 1.26 0.68 -0.31 0.00 0.00 175.10 176.88 1u6p s VAL 4 N 0.49 4.08 -0.17 1.32 -7.23 -1.26 -5.00 120.40 112.63 1u6p s VAL 4 Ca -0.09 1.43 -0.04 0.00 -1.81 0.00 0.00 61.98 61.47 1u6p s VAL 4 Cb -0.12 -3.92 0.07 0.00 0.56 0.00 0.00 36.38 32.97 1u6p s VAL 4 CO 0.01 0.01 0.16 -0.55 -0.31 0.00 0.00 175.10 174.42 1u6p s SER 5 N 1.55 1.64 0.00 4.85 0.15 -1.26 -5.13 113.70 115.50 1u6p s SER 5 Ca 0.58 -0.28 0.00 0.00 0.70 0.00 0.00 55.95 56.96 1u6p s SER 5 Cb -0.27 0.11 0.00 0.00 -1.71 0.00 0.00 66.02 64.15 1u6p s SER 5 CO 0.24 -0.32 0.00 0.61 1.20 0.00 0.00 173.24 174.97 1u6p n GLY 6 N 5.30 -2.58 3.07 9.45 0.00 -1.26 -5.05 105.19 114.12 1u6p n GLY 6 Ca -0.06 -0.47 -0.11 0.00 0.00 0.00 0.00 46.02 45.38 1u6p n GLY 6 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1u6p s GLN 7 N 0.00 0.42 -0.12 1.61 0.74 -1.26 -5.16 119.66 115.89 1u6p s GLN 7 Ca 0.00 -0.43 -0.10 0.00 0.05 0.00 0.00 55.36 54.88 1u6p s GLN 7 Cb 0.00 0.17 0.04 0.00 1.10 0.00 0.00 33.01 34.32 1u6p s GLN 7 CO 0.00 -0.09 0.31 -1.59 -0.55 0.00 0.00 175.29 173.37 1u6p s LYS 8 N -1.34 0.35 -0.49 1.67 -2.85 -1.26 -5.11 119.74 110.70 1u6p s LYS 8 Ca -0.14 0.49 -0.28 0.00 -1.00 0.00 0.00 55.97 55.03 1u6p s LYS 8 Cb -0.08 0.11 0.01 0.00 -2.06 0.00 0.00 37.83 35.81 1u6p s LYS 8 CO 0.01 -0.07 1.50 -0.65 0.10 0.00 0.00 175.35 176.24 1u6p s GLN 9 N 0.46 3.32 0.00 1.78 -0.21 -1.26 -4.82 119.66 118.93 1u6p s GLN 9 Ca -0.02 0.73 0.00 0.00 0.02 0.00 0.00 55.36 56.09 1u6p s GLN 9 Cb -0.04 -4.13 0.00 0.00 1.00 0.00 0.00 33.01 29.84 1u6p s GLN 9 CO -0.02 -1.89 0.00 -0.25 -2.12 0.00 0.00 175.29 171.01 1u6p n ASP 10 N 9.73 0.00 -4.64 5.90 8.00 -1.26 -5.12 116.55 129.16 1u6p n ASP 10 Ca 0.16 0.00 -0.44 0.00 0.71 0.00 0.00 54.79 55.21 1u6p n ASP 10 Cb 0.49 0.00 -0.04 0.00 -0.02 0.00 0.00 41.12 41.55 1u6p n ASP 10 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1u6p n ARG 11 N 0.00 2.42 -2.36 -1.24 3.00 -1.26 -4.86 116.66 112.35 1u6p n ARG 11 Ca 0.00 0.84 -0.43 0.00 -0.01 0.00 0.00 57.85 58.26 1u6p n ARG 11 Cb 0.00 -2.94 0.00 0.00 0.00 0.00 0.00 32.46 29.52 1u6p n ARG 11 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.63 178.57 1u6p n GLN 12 N 7.61 3.33 -1.22 5.56 0.00 -1.26 -4.98 117.38 126.42 1u6p n GLN 12 Ca 0.24 -3.35 -0.30 0.00 -0.00 0.00 0.00 57.00 53.59 1u6p n GLN 12 Cb 0.38 -3.12 0.23 0.00 0.00 0.00 0.00 30.24 27.74 1u6p n GLN 12 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.06 177.26 1u6p s GLY 13 N 2.30 1.61 -0.53 1.69 0.00 -1.26 -5.03 107.32 106.10 1u6p s GLY 13 Ca 0.44 -1.00 0.04 0.00 0.00 0.00 0.00 44.72 44.20 1u6p s GLY 13 CO -0.01 -0.13 0.35 -0.32 0.00 0.00 0.00 173.10 172.99 1u6p s GLY 14 N -4.06 2.04 -0.24 0.20 0.00 -1.26 -5.06 107.32 98.93 1u6p s GLY 14 Ca 0.71 -3.03 -0.26 0.00 0.00 0.00 0.00 44.72 42.15 1u6p s GLY 14 CO 0.55 1.49 0.93 -1.83 0.00 0.00 0.00 173.10 174.25 1u6p s GLU 15 N -0.37 0.63 0.00 2.90 -1.05 -1.26 -4.95 118.70 114.61 1u6p s GLU 15 Ca 0.24 0.57 -0.05 0.00 -0.15 0.00 0.00 54.97 55.57 1u6p s GLU 15 Cb -0.11 0.31 -0.02 0.00 -0.44 0.00 0.00 34.13 33.86 1u6p s GLU 15 CO -0.10 -0.11 -0.11 -2.13 0.95 0.00 0.00 175.26 173.76 1u6p n ARG 16 N 1.93 0.16 0.07 -4.83 3.00 -1.26 -5.02 116.66 110.72 1u6p n ARG 16 Ca -0.13 0.07 0.00 0.00 -0.00 0.00 0.00 57.85 57.79 1u6p n ARG 16 Cb 0.56 -0.78 0.00 0.00 0.00 0.00 0.00 32.46 32.24 1u6p n ARG 16 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.63 175.50 1u6p n ARG 17 N -3.73 0.00 -2.20 -0.14 3.00 -1.26 -4.95 116.66 107.38 1u6p n ARG 17 Ca -0.06 0.00 -0.35 0.00 -0.00 0.00 0.00 57.85 57.44 1u6p n ARG 17 Cb 0.22 0.00 0.02 0.00 0.00 0.00 0.00 32.46 32.70 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 -2.88 3.15 -0.03 -0.14 1.74 -1.26 -4.87 116.66 112.37 1u6p n ARG 18 Ca 0.00 -3.99 0.00 0.00 -0.77 0.00 0.00 57.85 53.10 1u6p n ARG 18 Cb 0.00 -2.27 0.01 0.00 -1.02 0.00 0.00 32.46 29.18 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 -0.49 -0.03 -2.70 0.55 2.88 -1.26 -1.95 113.62 110.62 1u6p n SER 19 Ca 0.47 0.13 -0.07 0.00 -1.33 0.00 0.00 58.87 58.07 1u6p n SER 19 Cb 0.40 -0.04 0.11 0.00 -0.75 0.00 0.00 64.21 63.93 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 -4.12 1.11 -1.90 -1.46 7.27 -1.26 -5.02 117.38 111.99 1u6p n GLN 20 Ca 0.01 -1.79 -0.34 0.00 0.07 0.00 0.00 57.00 54.96 1u6p n GLN 20 Cb 0.04 -0.25 -0.04 0.00 2.41 0.00 0.00 30.24 32.40 1u6p n GLN 20 CO 0.00 0.00 0.00 -1.17 0.07 0.00 0.00 177.06 175.96 1u6p s LEU 21 N -2.93 3.25 0.62 1.69 0.20 -0.82 -4.94 118.68 115.75 1u6p s LEU 21 Ca 0.21 0.27 -0.15 0.00 0.69 0.00 0.00 54.13 55.15 1u6p s LEU 21 Cb 0.36 -2.53 -0.03 0.00 -0.43 0.00 0.00 46.19 43.56 1u6p s LEU 21 CO -0.08 -2.68 1.06 -0.62 -0.29 0.00 0.00 176.35 173.75 1u6p s ASP 22 N 9.18 5.63 0.00 3.68 2.15 -1.26 -4.89 116.67 131.16 1u6p s ASP 22 Ca 0.76 1.82 0.12 0.00 0.43 0.00 0.00 52.55 55.68 1u6p s ASP 22 Cb -0.12 -2.53 0.63 0.00 -0.30 0.00 0.00 42.92 40.59 1u6p s ASP 22 CO 0.17 -1.27 1.28 0.54 -0.17 0.00 0.00 175.17 175.71 1u6p n ARG 23 N -2.22 0.20 -0.69 4.34 5.12 -1.26 -1.41 116.66 120.74 1u6p n ARG 23 Ca 0.09 0.15 0.04 0.00 -1.93 0.00 0.00 57.85 56.20 1u6p n ARG 23 Cb 0.53 -1.50 0.06 0.00 -1.16 0.00 0.00 32.46 30.39 1u6p n ARG 23 CO 0.00 0.00 0.00 -3.47 -1.93 0.00 0.00 177.63 172.23 1u6p n ASP 24 N -1.25 1.00 -4.36 0.55 2.03 -1.26 -5.05 116.55 108.21 1u6p n ASP 24 Ca 0.06 -2.50 -0.32 0.00 0.52 0.00 0.00 54.79 52.55 1u6p n ASP 24 Cb 0.09 -0.32 -0.15 0.00 -0.72 0.00 0.00 41.12 40.02 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 -1.06 2.38 0.24 -0.67 0.74 -0.50 -1.54 119.66 119.24 1u6p s GLN 25 Ca 0.21 -0.84 -0.31 0.00 0.05 0.00 0.00 55.36 54.48 1u6p s GLN 25 Cb 0.22 -2.20 -0.11 0.00 1.10 0.00 0.00 33.01 32.02 1u6p s GLN 25 CO -0.05 0.53 1.59 0.00 -0.55 0.00 0.00 175.29 176.81 1u6p n ALA 27 N 3.00 4.79 0.07 0.00 0.00 -1.26 -2.40 120.51 124.71 1u6p n ALA 27 Ca 0.11 -2.22 0.00 0.00 0.00 0.00 0.00 53.44 51.32 1u6p n ALA 27 Cb 0.38 -1.32 0.00 0.00 0.00 0.00 0.00 19.45 18.51 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 -0.61 -0.89 0.61 0.00 4.19 -1.26 -4.85 117.16 114.35 1u6p n TYR 28 Ca 0.44 0.16 0.11 0.00 3.31 0.00 0.00 57.90 61.92 1u6p n TYR 28 Cb 1.39 0.25 -0.02 0.00 0.49 0.00 0.00 39.34 41.44 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 -1.87 -0.22 -2.97 0.00 4.01 -1.01 -4.99 118.16 111.11 1u6p n LYS 30 Ca 0.02 0.45 -0.42 0.00 -0.51 0.00 0.00 58.31 57.85 1u6p n LYS 30 Cb 0.42 -4.10 -0.05 0.00 -0.51 0.00 0.00 35.03 30.80 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 -2.90 3.94 -0.16 1.97 2.02 -1.25 -4.69 118.70 117.64 1u6p s GLU 31 Ca 0.00 0.54 -0.29 0.00 0.02 0.00 0.00 54.97 55.24 1u6p s GLU 31 Cb 0.00 -3.73 -0.02 0.00 0.10 0.00 0.00 34.13 30.48 1u6p s GLU 31 CO 0.00 -0.67 1.30 0.15 0.02 0.00 0.00 175.26 176.06 1u6p s LYS 32 N 2.92 4.22 0.00 1.61 1.02 -1.26 -0.95 119.74 127.30 1u6p s LYS 32 Ca 0.31 1.71 0.00 0.00 0.02 0.00 0.00 55.97 58.01 1u6p s LYS 32 Cb -0.14 -3.79 0.00 0.00 -0.52 0.00 0.00 37.83 33.38 1u6p s LYS 32 CO 0.13 -0.73 0.00 0.41 -0.92 0.00 0.00 175.35 174.24 1u6p n GLY 33 N 3.68 2.32 3.86 -3.33 0.00 -0.59 -4.95 105.19 106.17 1u6p n GLY 33 Ca 0.14 -0.30 -0.22 0.00 0.00 0.00 0.00 46.02 45.64 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 3.20 0.43 1.61 -3.43 -1.25 -4.90 115.29 110.95 1u6p s HIS 34 Ca 0.00 -0.07 0.00 0.00 -0.80 0.00 0.00 55.06 54.19 1u6p s HIS 34 Cb 0.00 -1.46 -0.01 0.00 -1.43 0.00 0.00 32.58 29.68 1u6p s HIS 34 CO 0.00 0.50 0.65 -1.58 -2.00 0.00 0.00 174.74 172.31 1u6p s TRP 35 N -2.05 3.30 0.35 0.38 0.52 -1.26 -1.87 118.94 118.32 1u6p s TRP 35 Ca 0.33 0.29 0.03 0.00 0.02 0.00 0.00 56.10 56.77 1u6p s TRP 35 Cb -0.08 -2.22 0.66 0.00 -1.15 0.00 0.00 33.47 30.67 1u6p s TRP 35 CO 0.26 -0.25 2.00 0.00 0.02 0.00 0.00 176.95 178.98 1u6p h ALA 36 N 0.46 1.58 0.00 0.98 0.00 -1.90 0.46 119.26 120.84 1u6p h ALA 36 Ca -0.47 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.40 1u6p h ALA 36 Cb 1.24 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.79 1u6p h ALA 36 CO 0.58 0.38 0.00 1.63 0.00 0.00 0.00 179.25 181.84 1u6p n LYS 37 N -4.45 0.10 -0.94 0.00 4.01 -1.26 -1.33 118.16 114.29 1u6p n LYS 37 Ca 0.07 0.23 0.05 0.00 -0.51 0.00 0.00 58.31 58.15 1u6p n LYS 37 Cb 0.07 -1.50 0.09 0.00 -0.51 0.00 0.00 35.03 33.18 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 1.21 -4.72 4.39 8.00 0.15 -5.07 116.55 119.14 1u6p n ASP 38 Ca 0.04 -2.69 -0.42 0.00 0.71 0.00 0.00 54.79 52.43 1u6p n ASP 38 Cb 0.10 -0.37 -0.03 0.00 -0.02 0.00 0.00 41.12 40.80 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 3.60 0.75 0.09 0.00 -0.04 -1.26 -2.36 135.00 135.79 1u6p n PRO 40 Ca 0.08 0.00 0.01 0.00 -0.04 0.00 0.00 63.50 63.55 1u6p n PRO 40 Cb 0.46 -1.44 -0.03 0.00 -0.04 0.00 0.00 33.50 32.46 1u6p n PRO 40 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 1u6p h LYS 41 N 0.00 0.00 -5.08 0.54 3.64 -1.95 -3.45 116.57 110.27 1u6p h LYS 41 Ca 0.00 0.00 -0.51 0.00 -1.27 0.00 0.00 60.65 58.87 1u6p h LYS 41 Cb 0.00 0.00 -0.08 0.00 -0.41 0.00 0.00 32.23 31.74 1u6p h LYS 41 CO 0.00 0.44 1.73 1.63 -2.27 0.00 0.00 179.45 180.99 1u6p n LYS 42 N -3.10 0.05 -2.34 1.90 4.76 -0.99 -4.77 118.16 113.67 1u6p n LYS 42 Ca -0.03 0.00 -0.42 0.00 -2.87 0.00 0.00 58.31 54.99 1u6p n LYS 42 Cb 0.79 -1.59 -0.02 0.00 -1.84 0.00 0.00 35.03 32.36 1u6p n LYS 42 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 1u6p s PRO 43 N 8.82 3.40 0.04 1.97 0.04 -1.26 -4.49 135.00 143.52 1u6p s PRO 43 Ca 1.33 0.74 0.00 0.00 0.04 0.00 0.00 61.00 63.11 1u6p s PRO 43 Cb -1.22 -4.09 0.00 0.00 0.04 0.00 0.00 34.50 29.23 1u6p s PRO 43 CO 0.49 -1.80 0.00 0.54 0.04 0.00 0.00 177.00 176.27 1u6p n ARG 44 N 8.40 -5.04 0.00 4.56 1.74 -1.26 -5.08 116.66 119.97 1u6p n ARG 44 Ca 0.15 3.64 0.00 0.00 -0.77 0.00 0.00 57.85 60.87 1u6p n ARG 44 Cb 0.49 -4.52 0.00 0.00 -1.02 0.00 0.00 32.46 27.41 1u6p n ARG 44 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1u6p n GLY 45 N 1.88 0.80 3.82 -0.13 0.00 -1.26 -4.66 105.19 105.63 1u6p n GLY 45 Ca 0.00 -0.93 -0.31 0.00 0.00 0.00 0.00 46.02 44.78 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 -2.00 2.73 0.24 1.61 0.04 -1.26 -5.04 135.00 131.32 1u6p s PRO 46 Ca 0.00 0.87 -0.31 0.00 0.04 0.00 0.00 61.00 61.61 1u6p s PRO 46 Cb 0.00 -1.97 -0.14 0.00 0.04 0.00 0.00 34.50 32.43 1u6p s PRO 46 CO 0.00 -1.22 1.25 2.89 0.04 0.00 0.00 177.00 179.96 1u6p n ARG 47 N -3.20 1.64 0.00 4.56 1.85 -1.26 -4.40 116.66 115.85 1u6p n ARG 47 Ca 0.07 0.58 0.00 0.00 -1.00 0.00 0.00 57.85 57.51 1u6p n ARG 47 Cb 0.54 -2.13 0.00 0.00 -1.05 0.00 0.00 32.46 29.82 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 1.83 -1.02 2.45 2.89 0.00 -1.26 -4.44 105.19 105.64 1u6p n GLY 48 Ca 0.12 -1.65 -0.27 0.00 0.00 0.00 0.00 46.02 44.22 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 -1.14 2.66 -2.99 1.61 -0.04 -1.26 -4.61 135.00 129.23 1u6p n PRO 49 Ca 0.00 -1.68 -0.09 0.00 -0.04 0.00 0.00 63.50 61.69 1u6p n PRO 49 Cb 0.00 -2.53 0.01 0.00 -0.04 0.00 0.00 33.50 30.94 1u6p n PRO 49 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1u6p n ARG 50 N 3.81 -2.27 -2.28 0.54 5.12 -1.26 -4.76 116.66 115.56 1u6p n ARG 50 Ca 0.57 1.97 -0.36 0.00 -1.93 0.00 0.00 57.85 58.09 1u6p n ARG 50 Cb 0.22 -4.03 -0.03 0.00 -1.16 0.00 0.00 32.46 27.46 1u6p n ARG 50 CO 0.00 0.00 0.00 -0.35 -1.93 0.00 0.00 177.63 175.35 1u6p n PRO 51 N 0.36 2.39 -2.74 5.56 -0.04 -1.26 -4.51 135.00 134.77 1u6p n PRO 51 Ca 0.02 -2.84 -0.08 0.00 -0.04 0.00 0.00 63.50 60.55 1u6p n PRO 51 Cb 0.36 -3.59 0.07 0.00 -0.04 0.00 0.00 33.50 30.30 1u6p n PRO 51 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 1u6p n GLN 52 N 8.24 0.87 -3.50 0.54 -0.06 -1.26 -5.03 117.38 117.19 1u6p n GLN 52 Ca 0.47 -1.78 -0.31 0.00 -2.00 0.00 0.00 57.00 53.38 1u6p n GLN 52 Cb 0.46 -1.18 0.03 0.00 -4.06 0.00 0.00 30.24 25.49 1u6p n GLN 52 CO 0.00 0.00 0.00 0.25 -0.20 0.00 0.00 177.06 177.11 1u6p n THR 53 N 0.96 -4.75 -2.72 1.69 -2.24 -1.26 -4.97 114.28 100.98 1u6p n THR 53 Ca 0.07 0.13 0.01 0.00 -2.27 0.00 0.00 64.05 61.99 1u6p n THR 53 Cb 0.67 -3.91 0.01 0.00 -2.10 0.00 0.00 70.33 65.00 1u6p n THR 53 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1u6p s SER 54 N -2.00 -0.21 0.40 3.42 0.15 -1.26 -5.13 113.70 109.07 1u6p s SER 54 Ca 0.27 -0.13 0.00 0.00 0.70 0.00 0.00 55.95 56.78 1u6p s SER 54 Cb -0.03 0.27 0.00 0.00 -1.71 0.00 0.00 66.02 64.55 1u6p s SER 54 CO 0.87 -0.02 0.00 -0.11 1.20 0.00 0.00 173.24 175.18 1u6p n LEU 55 N 3.44 -2.78 0.00 3.45 0.00 -1.26 -4.86 117.00 115.00 1u6p n LEU 55 Ca 0.06 2.52 0.00 0.00 0.00 0.00 0.00 56.01 58.59 1u6p n LEU 55 Cb 0.64 -2.26 0.00 0.00 0.00 0.00 0.00 43.42 41.80 1u6p n LEU 55 CO -0.13 0.18 0.00 -0.11 0.00 0.00 0.00 177.39 177.33