#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u6p n THR 2 N 0.00 0.37 -3.91 0.00 -2.24 -1.26 -4.93 114.28 102.31 1u6p n THR 2 Ca 0.00 -0.33 -0.11 0.00 -2.27 0.00 0.00 64.05 61.35 1u6p n THR 2 Cb 0.00 -2.18 -0.11 0.00 -2.10 0.00 0.00 70.33 65.93 1u6p n THR 2 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1u6p s VAL 3 N 7.11 0.07 -0.30 2.28 1.01 -1.26 -5.13 120.40 124.18 1u6p s VAL 3 Ca 1.01 -0.58 -0.18 0.00 0.00 0.00 0.00 61.98 62.23 1u6p s VAL 3 Cb -0.54 -0.26 -0.02 0.00 0.00 0.00 0.00 36.38 35.55 1u6p s VAL 3 CO 0.42 -0.32 0.54 -0.69 0.00 0.00 0.00 175.10 175.05 1u6p s VAL 4 N -1.00 5.02 0.00 2.92 1.01 -1.26 -4.79 120.40 122.30 1u6p s VAL 4 Ca -0.11 0.70 0.00 0.00 0.00 0.00 0.00 61.98 62.57 1u6p s VAL 4 Cb -0.07 -3.91 0.00 0.00 0.00 0.00 0.00 36.38 32.40 1u6p s VAL 4 CO 0.00 -0.07 0.00 -1.20 0.00 0.00 0.00 175.10 173.83 1u6p n SER 5 N 5.69 0.00 0.00 3.32 7.64 -1.26 -4.81 113.62 124.20 1u6p n SER 5 Ca -0.04 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.84 1u6p n SER 5 Cb 0.49 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.69 1u6p n SER 5 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1u6p n GLY 6 N 0.00 2.29 0.00 0.23 0.00 -1.26 -4.46 105.19 101.99 1u6p n GLY 6 Ca 0.00 0.36 0.00 0.00 0.00 0.00 0.00 46.02 46.38 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 11.33 0.51 -3.81 1.61 1.13 -1.26 -5.02 117.38 121.87 1u6p n GLN 7 Ca 0.00 0.00 -0.35 0.00 -1.94 0.00 0.00 57.00 54.71 1u6p n GLN 7 Cb 0.00 0.00 -0.12 0.00 0.11 0.00 0.00 30.24 30.23 1u6p n GLN 7 CO 0.00 0.00 0.00 0.21 -1.44 0.00 0.00 177.06 175.83 1u6p s LYS 8 N -1.18 1.98 0.19 -1.09 2.20 -1.26 -5.08 119.74 115.51 1u6p s LYS 8 Ca 0.00 -1.92 0.07 0.00 -0.36 0.00 0.00 55.97 53.76 1u6p s LYS 8 Cb 0.00 -3.54 -0.04 0.00 -1.51 0.00 0.00 37.83 32.74 1u6p s LYS 8 CO 0.00 -1.07 0.04 -1.14 -0.36 0.00 0.00 175.35 172.82 1u6p s GLN 9 N 0.94 2.51 0.23 4.03 2.00 -1.26 -5.07 119.66 123.04 1u6p s GLN 9 Ca 0.10 -1.11 -0.31 0.00 -2.00 0.00 0.00 55.36 52.04 1u6p s GLN 9 Cb -0.22 -2.39 -0.12 0.00 0.80 0.00 0.00 33.01 31.08 1u6p s GLN 9 CO -0.05 0.44 1.68 -0.51 -0.50 0.00 0.00 175.29 176.36 1u6p s ASP 10 N -3.14 6.38 0.23 6.67 1.01 -1.26 -4.99 116.67 121.58 1u6p s ASP 10 Ca 0.29 2.88 0.01 0.00 0.71 0.00 0.00 52.55 56.44 1u6p s ASP 10 Cb -0.09 -2.61 -0.04 0.00 1.01 0.00 0.00 42.92 41.19 1u6p s ASP 10 CO 0.20 -0.95 0.15 -0.60 0.21 0.00 0.00 175.17 174.18 1u6p s ARG 11 N 0.68 1.34 -0.49 8.23 6.06 -1.26 -5.12 118.95 128.39 1u6p s ARG 11 Ca 0.71 -1.73 0.04 0.00 -2.50 0.00 0.00 55.73 52.26 1u6p s ARG 11 Cb -0.49 0.18 0.17 0.00 0.06 0.00 0.00 34.95 34.87 1u6p s ARG 11 CO 0.37 -0.42 0.38 -0.65 -2.50 0.00 0.00 175.30 172.47 1u6p s GLN 12 N -4.01 1.33 0.04 5.12 -0.21 -1.26 -5.11 119.66 115.56 1u6p s GLN 12 Ca 0.39 -2.42 0.02 0.00 0.02 0.00 0.00 55.36 53.36 1u6p s GLN 12 Cb 0.06 -1.99 -0.04 0.00 1.00 0.00 0.00 33.01 32.05 1u6p s GLN 12 CO 0.15 -1.35 0.06 0.20 -2.12 0.00 0.00 175.29 172.23 1u6p s GLY 13 N -0.31 1.98 0.00 3.09 0.00 -1.26 -5.11 107.32 105.71 1u6p s GLY 13 Ca 0.30 -0.97 0.00 0.00 0.00 0.00 0.00 44.72 44.05 1u6p s GLY 13 CO -0.18 -0.89 0.00 0.61 0.00 0.00 0.00 173.10 172.64 1u6p n GLY 14 N 0.87 0.65 0.00 0.20 0.00 -1.26 -5.15 105.19 100.50 1u6p n GLY 14 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.91 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 0.00 -2.49 0.00 1.61 2.13 -1.26 -5.13 120.64 115.50 1u6p n GLU 15 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 1u6p n GLU 15 Cb 0.00 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.71 1u6p n GLU 15 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 1u6p n ARG 16 N -0.51 0.00 -1.63 5.31 1.74 -1.26 -5.17 116.66 115.14 1u6p n ARG 16 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 1u6p n ARG 16 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.44 1u6p n ARG 16 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 1u6p n ARG 17 N -0.86 -4.45 -1.04 5.56 0.00 -1.26 -4.35 116.66 110.26 1u6p n ARG 17 Ca 0.00 3.39 -0.19 0.00 -0.00 0.00 0.00 57.85 61.05 1u6p n ARG 17 Cb 0.00 -4.04 -0.13 0.00 0.00 0.00 0.00 32.46 28.30 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 -1.85 2.37 -3.44 -0.14 1.74 -1.26 -4.56 116.66 109.52 1u6p n ARG 18 Ca 0.00 -1.28 -0.25 0.00 -0.77 0.00 0.00 57.85 55.55 1u6p n ARG 18 Cb 0.27 -2.20 0.00 0.00 -1.02 0.00 0.00 32.46 29.52 1u6p n ARG 18 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 1u6p n SER 19 N 2.83 -4.15 -3.61 0.55 7.64 -1.26 0.15 113.62 115.77 1u6p n SER 19 Ca 0.51 -0.46 -0.24 0.00 1.01 0.00 0.00 58.87 59.69 1u6p n SER 19 Cb 0.70 -3.40 0.08 0.00 -1.01 0.00 0.00 64.21 60.57 1u6p n SER 19 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1u6p n GLN 20 N -3.93 -7.68 -1.52 1.43 6.02 -1.26 -4.75 117.38 105.69 1u6p n GLN 20 Ca -0.01 0.81 -0.27 0.00 -0.01 0.00 0.00 57.00 57.52 1u6p n GLN 20 Cb 0.55 -5.85 -0.13 0.00 1.02 0.00 0.00 30.24 25.82 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 -4.91 0.53 -4.77 1.08 0.00 0.12 -4.85 117.00 104.20 1u6p n LEU 21 Ca -0.02 -0.60 -0.33 0.00 0.00 0.00 0.00 56.01 55.05 1u6p n LEU 21 Cb 0.57 -1.12 0.04 0.00 0.00 0.00 0.00 43.42 42.91 1u6p n LEU 21 CO 0.65 -1.60 0.75 -0.62 0.00 0.00 0.00 177.39 176.58 1u6p s ASP 22 N 7.35 5.18 0.00 1.96 -1.08 -1.26 -4.88 116.67 123.94 1u6p s ASP 22 Ca 1.16 2.05 0.11 0.00 -0.52 0.00 0.00 52.55 55.36 1u6p s ASP 22 Cb -0.64 -2.56 0.53 0.00 -1.46 0.00 0.00 42.92 38.80 1u6p s ASP 22 CO 0.37 -1.58 1.27 0.54 0.52 0.00 0.00 175.17 176.28 1u6p n ARG 23 N -2.22 0.12 -0.79 4.34 5.12 -1.26 -1.40 116.66 120.58 1u6p n ARG 23 Ca 0.11 0.21 0.04 0.00 -1.93 0.00 0.00 57.85 56.28 1u6p n ARG 23 Cb 0.52 -1.50 0.07 0.00 -1.16 0.00 0.00 32.46 30.39 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 -1.33 1.09 -4.34 0.55 8.00 -1.26 -5.05 116.55 114.21 1u6p n ASP 24 Ca 0.05 -2.57 -0.32 0.00 0.71 0.00 0.00 54.79 52.65 1u6p n ASP 24 Cb 0.10 -0.34 -0.15 0.00 -0.02 0.00 0.00 41.12 40.70 1u6p n ASP 24 CO 0.00 0.00 0.00 -1.58 -0.39 0.00 0.00 177.20 175.23 1u6p s GLN 25 N -1.15 2.88 0.23 -1.24 0.74 -0.49 -1.83 119.66 118.80 1u6p s GLN 25 Ca 0.25 -0.79 -0.32 0.00 0.05 0.00 0.00 55.36 54.56 1u6p s GLN 25 Cb 0.26 -2.38 -0.12 0.00 1.10 0.00 0.00 33.01 31.87 1u6p s GLN 25 CO -0.07 0.35 1.69 0.00 -0.55 0.00 0.00 175.29 176.72 1u6p n ALA 27 N 3.60 4.62 0.03 0.00 0.00 -1.26 -2.65 120.51 124.85 1u6p n ALA 27 Ca 0.14 -2.24 0.00 0.00 0.00 0.00 0.00 53.44 51.35 1u6p n ALA 27 Cb 0.36 -1.28 0.00 0.00 0.00 0.00 0.00 19.45 18.53 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 -0.28 -0.19 1.00 0.00 4.19 -1.26 -4.82 117.16 115.80 1u6p n TYR 28 Ca 0.41 0.03 0.11 0.00 3.31 0.00 0.00 57.90 61.77 1u6p n TYR 28 Cb 1.37 0.08 0.08 0.00 0.49 0.00 0.00 39.34 41.36 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 -0.40 -3.09 0.00 4.01 -1.09 -4.99 118.16 111.13 1u6p n LYS 30 Ca 0.05 0.56 -0.42 0.00 -0.51 0.00 0.00 58.31 58.00 1u6p n LYS 30 Cb 0.33 -4.31 -0.06 0.00 -0.51 0.00 0.00 35.03 30.48 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 -3.01 3.75 0.02 1.97 2.02 -1.25 -4.74 118.70 117.47 1u6p s GLU 31 Ca 0.00 0.16 -0.30 0.00 0.02 0.00 0.00 54.97 54.85 1u6p s GLU 31 Cb 0.00 -3.78 -0.05 0.00 0.10 0.00 0.00 34.13 30.40 1u6p s GLU 31 CO 0.00 -0.70 1.24 -1.59 0.02 0.00 0.00 175.26 174.23 1u6p s LYS 32 N 2.73 4.38 0.00 1.61 -2.85 -1.26 -1.29 119.74 123.06 1u6p s LYS 32 Ca 0.26 1.79 0.00 0.00 -1.00 0.00 0.00 55.97 57.01 1u6p s LYS 32 Cb -0.14 -3.44 0.00 0.00 -2.06 0.00 0.00 37.83 32.19 1u6p s LYS 32 CO 0.14 -0.37 0.00 0.41 0.10 0.00 0.00 175.35 175.63 1u6p n GLY 33 N 3.34 3.43 3.75 0.59 0.00 -0.76 -4.93 105.19 110.61 1u6p n GLY 33 Ca 0.10 -0.57 -0.22 0.00 0.00 0.00 0.00 46.02 45.33 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 2.92 0.37 1.61 -3.43 -1.25 -4.93 115.29 110.58 1u6p s HIS 34 Ca 0.00 -0.17 -0.02 0.00 -0.80 0.00 0.00 55.06 54.07 1u6p s HIS 34 Cb 0.00 -1.34 -0.04 0.00 -1.43 0.00 0.00 32.58 29.77 1u6p s HIS 34 CO 0.00 0.54 0.61 -1.58 -2.00 0.00 0.00 174.74 172.31 1u6p s TRP 35 N -2.23 3.51 0.42 0.38 0.52 -1.26 -1.96 118.94 118.32 1u6p s TRP 35 Ca 0.33 0.53 0.08 0.00 0.02 0.00 0.00 56.10 57.06 1u6p s TRP 35 Cb -0.07 -2.04 0.91 0.00 -1.15 0.00 0.00 33.47 31.12 1u6p s TRP 35 CO 0.23 0.03 2.07 0.00 0.02 0.00 0.00 176.95 179.30 1u6p h ALA 36 N 0.83 1.76 0.00 0.98 0.00 -1.90 0.44 119.26 121.37 1u6p h ALA 36 Ca -0.49 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.40 1u6p h ALA 36 Cb 1.21 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.86 1u6p h ALA 36 CO 0.62 0.22 0.00 1.63 0.00 0.00 0.00 179.25 181.72 1u6p n LYS 37 N -4.48 0.01 -0.71 0.00 4.76 -1.26 -1.31 118.16 115.17 1u6p n LYS 37 Ca 0.03 0.34 0.05 0.00 -2.87 0.00 0.00 58.31 55.86 1u6p n LYS 37 Cb 0.08 -1.53 0.10 0.00 -1.84 0.00 0.00 35.03 31.84 1u6p n LYS 37 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 1u6p n ASP 38 N -1.55 1.30 -4.73 4.39 -0.08 0.14 -5.06 116.55 110.96 1u6p n ASP 38 Ca 0.02 -2.81 -0.41 0.00 -1.51 0.00 0.00 54.79 50.08 1u6p n ASP 38 Cb 0.12 -0.38 -0.03 0.00 2.34 0.00 0.00 41.12 43.17 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 2.74 0.75 0.05 0.00 -0.04 -1.26 -2.29 135.00 134.96 1u6p n PRO 40 Ca 0.06 0.00 -0.00 0.00 -0.04 0.00 0.00 63.50 63.51 1u6p n PRO 40 Cb 0.44 -1.39 -0.07 0.00 -0.04 0.00 0.00 33.50 32.45 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 -5.27 0.54 3.64 -1.95 -3.45 116.57 110.08 1u6p h LYS 41 Ca 0.00 0.00 -0.54 0.00 -1.27 0.00 0.00 60.65 58.84 1u6p h LYS 41 Cb 0.00 0.00 -0.07 0.00 -0.41 0.00 0.00 32.23 31.75 1u6p h LYS 41 CO 0.00 0.35 1.66 1.63 -2.27 0.00 0.00 179.45 180.82 1u6p n LYS 42 N -2.96 0.18 -0.04 1.90 5.02 -0.97 -4.76 118.16 116.53 1u6p n LYS 42 Ca -0.08 0.01 -0.13 0.00 -2.02 0.00 0.00 58.31 56.09 1u6p n LYS 42 Cb 0.83 -1.78 -0.11 0.00 -0.02 0.00 0.00 35.03 33.95 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 12.49 -0.01 -5.75 1.97 0.13 -1.91 -3.40 132.00 135.53 1u6p h PRO 43 Ca -0.09 0.00 -0.34 0.00 -0.87 0.00 0.00 66.00 64.70 1u6p h PRO 43 Cb 1.32 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.40 1u6p h PRO 43 CO 1.30 0.73 0.86 0.50 -0.23 0.00 0.00 178.00 181.17 1u6p s ARG 44 N -3.18 2.69 0.13 0.86 3.52 -1.26 -4.91 118.95 116.80 1u6p s ARG 44 Ca -0.17 -0.46 0.05 0.00 -0.13 0.00 0.00 55.73 55.01 1u6p s ARG 44 Cb -0.01 -5.12 -0.04 0.00 -1.56 0.00 0.00 34.95 28.23 1u6p s ARG 44 CO 0.67 -3.26 -0.11 0.20 -0.81 0.00 0.00 175.30 171.99 1u6p s GLY 45 N 7.52 1.01 0.17 8.12 0.00 -1.26 -4.23 107.32 118.64 1u6p s GLY 45 Ca 0.67 -1.37 0.01 0.00 0.00 0.00 0.00 44.72 44.03 1u6p s GLY 45 CO -0.01 -1.46 1.40 -0.56 0.00 0.00 0.00 173.10 172.47 1u6p h PRO 46 N 3.14 0.27 -0.98 2.90 0.13 -1.97 -3.46 132.00 132.03 1u6p h PRO 46 Ca -0.37 -0.27 0.18 0.00 -0.87 0.00 0.00 66.00 64.67 1u6p h PRO 46 Cb 1.19 0.07 -0.26 0.00 0.13 0.00 0.00 31.00 32.13 1u6p h PRO 46 CO 0.58 0.96 0.33 0.50 -0.23 0.00 0.00 178.00 180.14 1u6p s ARG 47 N -3.36 0.26 -0.47 0.86 3.52 -1.26 -5.12 118.95 113.37 1u6p s ARG 47 Ca -0.04 0.58 0.01 0.00 -0.13 0.00 0.00 55.73 56.16 1u6p s ARG 47 Cb 0.10 0.29 0.12 0.00 -1.56 0.00 0.00 34.95 33.91 1u6p s ARG 47 CO 0.83 -0.08 0.23 0.20 -0.81 0.00 0.00 175.30 175.67 1u6p s GLY 48 N 2.10 2.23 0.44 8.12 0.00 -1.26 -5.09 107.32 113.86 1u6p s GLY 48 Ca -0.04 -2.93 -0.22 0.00 0.00 0.00 0.00 44.72 41.53 1u6p s GLY 48 CO -0.16 1.01 1.05 2.56 0.00 0.00 0.00 173.10 177.55 1u6p s PRO 49 N 0.34 4.00 -0.29 2.90 0.04 -1.26 -5.04 135.00 135.69 1u6p s PRO 49 Ca 0.14 1.45 -0.06 0.00 0.04 0.00 0.00 61.00 62.56 1u6p s PRO 49 Cb -0.22 -2.34 0.01 0.00 0.04 0.00 0.00 34.50 31.99 1u6p s PRO 49 CO -0.04 -0.28 0.07 0.50 0.04 0.00 0.00 177.00 177.30 1u6p s ARG 50 N -2.82 3.06 1.12 4.56 3.00 -1.26 -5.10 118.95 121.51 1u6p s ARG 50 Ca 0.62 -0.87 -0.19 0.00 -1.00 0.00 0.00 55.73 54.29 1u6p s ARG 50 Cb -0.20 -3.35 0.27 0.00 0.00 0.00 0.00 34.95 31.68 1u6p s ARG 50 CO 0.24 -0.45 1.24 -0.35 0.00 0.00 0.00 175.30 175.99 1u6p n PRO 51 N 4.85 -2.23 -3.49 5.12 -0.04 -1.26 -5.10 135.00 132.85 1u6p n PRO 51 Ca -0.15 -1.94 -0.10 0.00 -0.04 0.00 0.00 63.50 61.27 1u6p n PRO 51 Cb 0.48 -1.53 -0.02 0.00 -0.04 0.00 0.00 33.50 32.39 1u6p n PRO 51 CO 0.00 0.00 0.00 1.14 -0.04 0.00 0.00 175.50 176.60 1u6p s GLN 52 N -5.75 1.05 -0.43 0.54 -2.07 -1.26 -5.09 119.66 106.64 1u6p s GLN 52 Ca 0.75 -0.40 0.08 0.00 -1.82 0.00 0.00 55.36 53.96 1u6p s GLN 52 Cb -0.04 0.47 0.34 0.00 -1.09 0.00 0.00 33.01 32.69 1u6p s GLN 52 CO 0.55 -0.46 1.07 -2.37 -1.32 0.00 0.00 175.29 172.75 1u6p n THR 53 N -0.32 -0.00 -3.57 3.63 5.66 -1.26 -5.13 114.28 113.30 1u6p n THR 53 Ca -0.12 -2.12 -0.07 0.00 -3.05 0.00 0.00 64.05 58.69 1u6p n THR 53 Cb 0.63 1.09 -0.02 0.00 -1.55 0.00 0.00 70.33 70.48 1u6p n THR 53 CO 0.00 0.00 0.00 -0.55 -3.05 0.00 0.00 175.07 171.47 1u6p s SER 54 N -1.53 -0.30 -0.18 1.09 0.15 -1.26 -5.07 113.70 106.60 1u6p s SER 54 Ca 0.26 -0.09 -0.04 0.00 0.70 0.00 0.00 55.95 56.77 1u6p s SER 54 Cb 0.32 0.38 -0.10 0.00 -1.71 0.00 0.00 66.02 64.92 1u6p s SER 54 CO -0.06 -0.65 -0.19 0.00 1.20 0.00 0.00 173.24 173.55 1u6p n LEU 55 N -0.29 2.17 0.00 3.45 -0.00 -1.26 -5.30 117.00 115.77 1u6p n LEU 55 Ca -0.08 0.06 0.00 0.00 -0.00 0.00 0.00 56.01 55.99 1u6p n LEU 55 Cb 0.61 -0.56 0.00 0.00 -0.00 0.00 0.00 43.42 43.47 1u6p n LEU 55 CO 0.11 0.59 0.00 0.18 -0.00 0.00 0.00 177.39 178.27