#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ugl s LEU 2 N 0.00 0.28 0.14 1.20 1.43 -1.26 -5.18 118.68 115.30 1ugl s LEU 2 Ca 0.00 -0.27 0.07 0.00 -1.03 0.00 0.00 54.13 52.90 1ugl s LEU 2 Cb 0.00 1.93 -0.04 0.00 0.03 0.00 0.00 46.19 48.11 1ugl s LEU 2 CO 0.00 -0.86 -0.01 -0.04 0.23 0.00 0.00 176.35 175.67 1ugl s MET 3 N -3.75 2.41 0.03 1.70 -1.94 -1.26 -5.14 119.30 111.34 1ugl s MET 3 Ca 0.02 -1.03 0.00 0.00 -1.71 0.00 0.00 55.69 52.98 1ugl s MET 3 Cb 0.01 -2.40 0.00 0.00 2.01 0.00 0.00 34.83 34.46 1ugl s MET 3 CO -0.12 0.48 0.01 1.63 -0.01 0.00 0.00 175.02 177.01 1ugl n LYS 4 N 0.15 1.80 -3.20 2.03 4.01 -1.26 -5.13 118.16 116.55 1ugl n LYS 4 Ca -0.10 -0.20 -0.09 0.00 -0.51 0.00 0.00 58.31 57.41 1ugl n LYS 4 Cb 0.54 0.04 -0.04 0.00 -0.51 0.00 0.00 35.03 35.07 1ugl n LYS 4 CO 0.00 0.00 0.00 -0.98 -1.11 0.00 0.00 177.40 175.31 1ugl s ARG 5 N -2.11 0.81 0.15 1.97 1.70 -1.26 -4.96 118.95 115.26 1ugl s ARG 5 Ca 0.00 -0.77 -0.33 0.00 -0.47 0.00 0.00 55.73 54.16 1ugl s ARG 5 Cb -0.00 -0.35 -0.16 0.00 -0.57 0.00 0.00 34.95 33.86 1ugl s ARG 5 CO 0.00 -1.23 1.07 0.00 -1.08 0.00 0.00 175.30 174.06 1ugl n THR 7 N 1.30 0.00 -1.48 0.00 -2.24 -1.26 -4.63 114.28 105.96 1ugl n THR 7 Ca 0.16 0.40 0.04 0.00 -2.27 0.00 0.00 64.05 62.38 1ugl n THR 7 Cb 0.23 -0.80 0.20 0.00 -2.10 0.00 0.00 70.33 67.85 1ugl n THR 7 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1ugl n ARG 8 N -3.90 1.66 0.00 -0.78 1.74 -1.26 -4.77 116.66 109.34 1ugl n ARG 8 Ca -0.03 -3.18 0.00 0.00 -0.77 0.00 0.00 57.85 53.87 1ugl n ARG 8 Cb 0.65 -1.66 0.00 0.00 -1.02 0.00 0.00 32.46 30.43 1ugl n ARG 8 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1ugl n GLY 9 N -1.14 1.42 2.65 -0.13 0.00 -1.26 -4.94 105.19 101.79 1ugl n GLY 9 Ca 0.22 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.21 1ugl n GLY 9 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1ugl n PHE 10 N 0.00 -4.34 -2.70 1.61 7.35 -1.26 -5.04 117.46 113.09 1ugl n PHE 10 Ca 0.00 2.29 -0.06 0.00 -0.76 0.00 0.00 57.45 58.92 1ugl n PHE 10 Cb 0.00 -3.99 0.09 0.00 0.35 0.00 0.00 39.48 35.93 1ugl n PHE 10 CO 0.00 0.00 0.00 2.89 -0.76 0.00 0.00 176.76 178.89 1ugl n ARG 11 N 1.31 0.86 -4.28 -4.13 -4.01 -1.26 -5.02 116.66 100.13 1ugl n ARG 11 Ca -0.25 -1.53 -0.25 0.00 -1.04 0.00 0.00 57.85 54.78 1ugl n ARG 11 Cb 0.39 -0.28 -0.08 0.00 -3.04 0.00 0.00 32.46 29.46 1ugl n ARG 11 CO 0.00 0.00 0.00 0.15 -3.04 0.00 0.00 177.63 174.74 1ugl s LYS 12 N 0.17 2.23 0.04 2.89 3.01 0.14 -5.01 119.74 123.20 1ugl s LYS 12 Ca 0.18 -1.32 -0.14 0.00 -1.01 0.00 0.00 55.97 53.69 1ugl s LYS 12 Cb 0.30 -2.19 0.02 0.00 -1.01 0.00 0.00 37.83 34.95 1ugl s LYS 12 CO -0.08 0.40 0.30 -0.48 0.51 0.00 0.00 175.35 176.01 1ugl s LEU 13 N -3.25 0.90 0.00 3.17 2.34 -1.26 -0.91 118.68 119.67 1ugl s LEU 13 Ca 0.28 -0.19 0.00 0.00 0.06 0.00 0.00 54.13 54.29 1ugl s LEU 13 Cb -0.08 1.33 0.00 0.00 -0.56 0.00 0.00 46.19 46.89 1ugl s LEU 13 CO 0.18 -0.61 0.00 0.61 -1.06 0.00 0.00 176.35 175.47 1ugl n GLY 14 N 0.61 0.69 2.31 -3.48 0.00 -0.15 -4.28 105.19 100.88 1ugl n GLY 14 Ca -0.19 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.69 1ugl n GLY 14 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1ugl n LYS 15 N 0.00 -0.75 -3.97 1.61 5.02 -1.25 -0.59 118.16 118.23 1ugl n LYS 15 Ca 0.00 0.68 -0.26 0.00 -2.02 0.00 0.00 58.31 56.71 1ugl n LYS 15 Cb 0.00 -0.93 -0.02 0.00 -0.02 0.00 0.00 35.03 34.06 1ugl n LYS 15 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1ugl s THR 17 N -3.96 2.90 0.12 0.00 2.01 0.25 -4.78 115.64 112.18 1ugl s THR 17 Ca 0.02 0.33 -0.24 0.00 0.31 0.00 0.00 61.69 62.11 1ugl s THR 17 Cb -0.01 -2.71 -0.06 0.00 0.01 0.00 0.00 72.50 69.73 1ugl s THR 17 CO 0.89 -0.35 1.67 0.74 -0.69 0.00 0.00 174.62 176.88 1ugl h THR 18 N -1.03 0.59 -0.14 -0.82 2.02 -1.90 0.13 112.91 111.76 1ugl h THR 18 Ca -0.44 0.00 0.04 0.00 0.77 0.00 0.00 66.41 66.78 1ugl h THR 18 Cb 1.25 0.59 -0.01 0.00 -1.74 0.00 0.00 68.15 68.25 1ugl h THR 18 CO 0.49 0.00 0.29 0.25 0.37 0.00 0.00 175.52 176.92 1ugl h LEU 19 N -0.26 0.00 0.09 2.58 7.12 -1.92 0.49 115.31 123.41 1ugl h LEU 19 Ca 0.06 0.00 -0.13 0.00 0.13 0.00 0.00 57.88 57.94 1ugl h LEU 19 Cb 0.34 0.00 0.01 0.00 -0.53 0.00 0.00 40.66 40.48 1ugl h LEU 19 CO -0.18 0.00 -0.58 -0.08 -0.13 0.00 0.00 178.44 177.47 1ugl h GLU 20 N 0.00 0.19 0.00 1.25 4.57 -1.09 -0.67 114.58 118.84 1ugl h GLU 20 Ca 0.07 -0.32 -0.04 0.00 -1.18 0.00 0.00 59.36 57.88 1ugl h GLU 20 Cb 0.65 0.12 -0.01 0.00 -0.16 0.00 0.00 28.75 29.35 1ugl h GLU 20 CO -0.00 1.15 -0.21 1.05 -1.18 0.00 0.00 179.01 179.82 1ugl h GLU 21 N -0.60 0.00 0.08 1.92 4.11 0.42 -2.16 114.58 118.35 1ugl h GLU 21 Ca -0.11 0.00 -0.25 0.00 0.07 0.00 0.00 59.36 59.07 1ugl h GLU 21 Cb 1.42 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.67 1ugl h GLU 21 CO 0.09 0.21 -1.12 0.93 0.07 0.00 0.00 179.01 179.19 1ugl h GLU 22 N 0.00 0.25 -0.08 1.06 4.39 -0.15 -2.32 114.58 117.73 1ugl h GLU 22 Ca -0.00 -0.37 0.01 0.00 0.34 0.00 0.00 59.36 59.34 1ugl h GLU 22 Cb 0.63 0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 29.40 1ugl h GLU 22 CO 0.03 1.14 0.01 -0.22 -1.16 0.00 0.00 179.01 178.81 1ugl h LYS 23 N 0.09 0.04 -0.08 2.33 1.63 -0.47 0.26 116.57 120.38 1ugl h LYS 23 Ca -0.10 -0.00 -0.11 0.00 -0.85 0.00 0.00 60.65 59.58 1ugl h LYS 23 Cb 1.83 -0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 33.43 1ugl h LYS 23 CO 0.18 0.03 -0.47 0.00 -3.45 0.00 0.00 179.45 175.74 1ugl h LYS 25 N 0.16 0.00 -0.99 0.00 6.56 -1.04 -1.59 116.57 119.67 1ugl h LYS 25 Ca 0.01 0.00 0.19 0.00 -1.06 0.00 0.00 60.65 59.79 1ugl h LYS 25 Cb 0.89 0.00 -0.10 0.00 -0.57 0.00 0.00 32.23 32.46 1ugl h LYS 25 CO 0.07 0.00 0.61 1.79 -2.06 0.00 0.00 179.45 179.86 1ugl h THR 26 N -0.29 0.72 0.10 -0.16 1.35 -0.64 -2.14 112.91 111.86 1ugl h THR 26 Ca 0.00 -0.24 -0.31 0.00 -0.55 0.00 0.00 66.41 65.31 1ugl h THR 26 Cb 0.00 -0.05 -0.01 0.00 -1.73 0.00 0.00 68.15 66.36 1ugl h THR 26 CO 0.00 0.13 -1.58 -0.07 -0.25 0.00 0.00 175.52 173.75 1ugl h LEU 27 N 0.70 0.35 -8.09 3.87 4.07 -1.58 -3.44 115.31 111.19 1ugl h LEU 27 Ca 0.55 -0.52 -0.67 0.00 0.08 0.00 0.00 57.88 57.32 1ugl h LEU 27 Cb 0.94 -0.11 -0.33 0.00 1.08 0.00 0.00 40.66 42.23 1ugl h LEU 27 CO -0.32 1.44 -0.77 -0.31 -1.08 0.00 0.00 178.44 177.39 1ugl s TYR 28 N -2.61 3.06 -0.45 1.13 2.02 -0.60 -5.00 117.35 114.90 1ugl s TYR 28 Ca -0.10 -1.69 -0.06 0.00 -0.37 0.00 0.00 57.07 54.85 1ugl s TYR 28 Cb 0.07 -2.02 -0.16 0.00 -0.40 0.00 0.00 41.96 39.45 1ugl s TYR 28 CO 0.84 -0.77 3.29 -0.35 -1.57 0.00 0.00 175.55 177.00 1ugl n PRO 29 N 4.62 2.52 -2.07 -1.71 -0.04 -1.25 -4.12 135.00 132.96 1ugl n PRO 29 Ca -0.17 -1.59 -0.17 0.00 -0.04 0.00 0.00 63.50 61.54 1ugl n PRO 29 Cb 0.47 -2.20 0.09 0.00 -0.04 0.00 0.00 33.50 31.81 1ugl n PRO 29 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1ugl n ARG 30 N 2.36 0.11 0.00 0.54 5.12 -1.26 -5.05 116.66 118.49 1ugl n ARG 30 Ca 0.52 -2.01 0.00 0.00 -1.93 0.00 0.00 57.85 54.42 1ugl n ARG 30 Cb 0.69 -0.47 0.00 0.00 -1.16 0.00 0.00 32.46 31.52 1ugl n ARG 30 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1ugl n GLY 31 N -0.61 0.00 1.27 -0.13 0.00 -1.26 -4.68 105.19 99.78 1ugl n GLY 31 Ca 0.12 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.23 1ugl n GLY 31 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1ugl n GLN 32 N -1.24 3.27 -4.06 1.61 6.02 -1.26 -4.95 117.38 116.76 1ugl n GLN 32 Ca 0.00 -2.67 -0.26 0.00 -0.01 0.00 0.00 57.00 54.07 1ugl n GLN 32 Cb 0.16 -1.69 -0.05 0.00 1.02 0.00 0.00 30.24 29.68 1ugl n GLN 32 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1ugl n THR 34 N -0.44 0.00 -3.65 0.00 5.66 -1.26 -4.91 114.28 109.68 1ugl n THR 34 Ca -0.08 0.00 -0.36 0.00 -3.05 0.00 0.00 64.05 60.56 1ugl n THR 34 Cb 0.55 0.00 -0.07 0.00 -1.55 0.00 0.00 70.33 69.25 1ugl n THR 34 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1ugl s SER 36 N 0.30 1.33 0.12 0.00 0.01 -0.82 -4.95 113.70 109.70 1ugl s SER 36 Ca 0.13 -0.07 0.04 0.00 1.31 0.00 0.00 55.95 57.36 1ugl s SER 36 Cb -0.12 -0.39 -0.04 0.00 0.21 0.00 0.00 66.02 65.68 1ugl s SER 36 CO 0.01 -0.17 -0.10 -0.62 0.41 0.00 0.00 173.24 172.77 1ugl s ASP 37 N 1.73 1.65 0.00 2.44 -1.08 -1.26 -2.36 116.67 117.79 1ugl s ASP 37 Ca 0.01 -0.92 0.00 0.00 -0.52 0.00 0.00 52.55 51.12 1ugl s ASP 37 Cb -0.13 -0.00 0.00 0.00 -1.46 0.00 0.00 42.92 41.33 1ugl s ASP 37 CO -0.04 -0.29 0.00 -1.54 0.52 0.00 0.00 175.17 173.82 1ugl n SER 38 N 0.17 0.00 -2.36 -0.34 3.41 -1.26 -5.01 113.62 108.23 1ugl n SER 38 Ca -0.13 0.00 -0.02 0.00 -0.26 0.00 0.00 58.87 58.46 1ugl n SER 38 Cb 0.59 -0.15 0.10 0.00 -0.26 0.00 0.00 64.21 64.49 1ugl n SER 38 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1ugl n LYS 39 N -1.84 1.04 -4.16 4.33 5.02 -1.26 -5.15 118.16 116.16 1ugl n LYS 39 Ca 0.00 -0.97 -0.10 0.00 -2.02 0.00 0.00 58.31 55.22 1ugl n LYS 39 Cb 0.00 0.36 -0.10 0.00 -0.02 0.00 0.00 35.03 35.27 1ugl n LYS 39 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 1ugl s MET 40 N 0.10 0.99 0.03 1.97 -1.94 -1.26 -5.02 119.30 114.17 1ugl s MET 40 Ca 0.07 -1.47 0.13 0.00 -1.71 0.00 0.00 55.69 52.71 1ugl s MET 40 Cb 0.34 0.25 0.57 0.00 2.01 0.00 0.00 34.83 38.00 1ugl s MET 40 CO -0.10 -0.29 1.42 -1.71 -0.01 0.00 0.00 175.02 174.33 1ugl n ASN 41 N -0.13 0.08 -4.31 3.03 5.15 -1.26 -4.48 115.26 113.34 1ugl n ASN 41 Ca -0.04 0.52 -0.30 0.00 -0.60 0.00 0.00 54.58 54.16 1ugl n ASN 41 Cb 0.64 -0.54 -0.16 0.00 -0.53 0.00 0.00 39.78 39.20 1ugl n ASN 41 CO 0.00 0.00 0.00 0.42 1.40 0.00 0.00 177.26 179.08 1ugl s THR 42 N -3.05 2.03 0.06 -0.44 -4.23 -1.26 -0.98 115.64 107.77 1ugl s THR 42 Ca 0.05 -1.15 -0.01 0.00 -1.18 0.00 0.00 61.69 59.40 1ugl s THR 42 Cb 0.08 -1.70 0.00 0.00 1.34 0.00 0.00 72.50 72.22 1ugl s THR 42 CO 0.23 0.52 0.09 0.00 -0.54 0.00 0.00 174.62 174.92 1ugl n HIS 43 N 2.30 -0.75 -1.38 3.99 1.44 -0.08 -4.72 115.22 116.02 1ugl n HIS 43 Ca -0.16 -0.36 0.00 0.00 -2.01 0.00 0.00 57.72 55.19 1ugl n HIS 43 Cb 0.51 0.10 0.00 0.00 0.12 0.00 0.00 29.99 30.73 1ugl n HIS 43 CO 0.00 0.00 0.00 -1.13 -2.81 0.00 0.00 176.34 172.40 1ugl n SER 44 N -1.82 0.00 -5.01 4.39 3.41 -0.99 0.25 113.62 113.85 1ugl n SER 44 Ca -0.00 0.00 -0.17 0.00 -0.26 0.00 0.00 58.87 58.43 1ugl n SER 44 Cb 0.10 0.00 0.01 0.00 -0.26 0.00 0.00 64.21 64.05 1ugl n SER 44 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ugl n ASP 46 N -1.85 -0.06 0.27 0.00 2.03 -1.25 -4.21 116.55 111.48 1ugl n ASP 46 Ca 0.07 -2.21 0.14 0.00 0.52 0.00 0.00 54.79 53.32 1ugl n ASP 46 Cb 0.59 0.15 0.85 0.00 -0.72 0.00 0.00 41.12 41.99 1ugl n ASP 46 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1ugl s LYS 48 N -4.72 0.89 -0.81 0.00 2.36 -1.26 -4.46 119.74 111.75 1ugl s LYS 48 Ca -0.05 -0.30 -0.19 0.00 -2.55 0.00 0.00 55.97 52.88 1ugl s LYS 48 Cb 0.16 -0.84 -0.19 0.00 -1.05 0.00 0.00 37.83 35.90 1ugl s LYS 48 CO 0.57 0.12 2.11 0.45 1.55 0.00 0.00 175.35 180.16 1ugl n SER 49 N 3.22 0.46 -0.64 1.43 2.88 -1.26 -4.66 113.62 115.04 1ugl n SER 49 Ca -0.17 -1.49 0.13 0.00 -1.33 0.00 0.00 58.87 56.01 1ugl n SER 49 Cb 0.55 -1.28 0.38 0.00 -0.75 0.00 0.00 64.21 63.10 1ugl n SER 49 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81