#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 3.76 0.55 3.41 1.02 -1.26 -5.08 118.68 121.08 1ugl s LEU 2 Ca 0.00 1.45 0.02 0.00 0.02 0.00 0.00 54.13 55.61 1ugl s LEU 2 Cb 0.00 -4.35 0.04 0.00 0.02 0.00 0.00 46.19 41.90 1ugl s LEU 2 CO 0.00 -0.48 0.77 -0.04 0.02 0.00 0.00 176.35 176.62 1ugl s MET 3 N -3.80 2.52 -0.01 1.70 -1.94 -1.26 -5.03 119.30 111.48 1ugl s MET 3 Ca 0.57 -0.85 0.07 0.00 -1.71 0.00 0.00 55.69 53.77 1ugl s MET 3 Cb -0.10 -2.50 -0.09 0.00 2.01 0.00 0.00 34.83 34.15 1ugl s MET 3 CO 0.28 -0.72 0.21 0.36 -0.01 0.00 0.00 175.02 175.14 1ugl n LYS 4 N -2.33 2.36 -2.53 2.03 0.00 -1.26 -5.08 118.16 111.35 1ugl n LYS 4 Ca 0.08 -0.03 0.00 0.00 -0.00 0.00 0.00 58.31 58.36 1ugl n LYS 4 Cb 0.60 -1.00 0.00 0.00 -0.00 0.00 0.00 35.03 34.63 1ugl n LYS 4 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.40 180.29 1ugl n ARG 5 N -1.47 -0.34 -1.60 -1.58 0.00 -1.26 -4.79 116.66 105.62 1ugl n ARG 5 Ca -0.00 0.65 -0.42 0.00 -0.00 0.00 0.00 57.85 58.08 1ugl n ARG 5 Cb 0.14 -0.72 0.01 0.00 -0.00 0.00 0.00 32.46 31.89 1ugl n ARG 5 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1ugl n THR 7 N -0.38 -5.50 -1.24 0.00 -2.24 -1.19 -4.76 114.28 98.96 1ugl n THR 7 Ca 0.09 2.51 -0.28 0.00 -2.27 0.00 0.00 64.05 64.10 1ugl n THR 7 Cb 0.38 -3.34 0.14 0.00 -2.10 0.00 0.00 70.33 65.41 1ugl n THR 7 CO 0.00 0.00 0.00 -2.11 -0.57 0.00 0.00 175.07 172.39 1ugl n ARG 8 N 0.26 2.40 0.00 -0.78 0.00 -1.26 -4.46 116.66 112.81 1ugl n ARG 8 Ca 0.00 -3.07 0.00 0.00 -0.00 0.00 0.00 57.85 54.78 1ugl n ARG 8 Cb 0.00 -2.20 0.00 0.00 -0.00 0.00 0.00 32.46 30.26 1ugl n ARG 8 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1ugl n GLY 9 N -1.02 -0.31 3.29 2.89 0.00 -1.26 -4.90 105.19 103.88 1ugl n GLY 9 Ca 0.60 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.53 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 -2.70 -3.06 1.61 -0.00 -1.26 -4.99 117.46 107.06 1ugl n PHE 10 Ca 0.00 1.05 -0.17 0.00 -0.00 0.00 0.00 57.45 58.33 1ugl n PHE 10 Cb 0.00 -3.65 -0.01 0.00 -0.00 0.00 0.00 39.48 35.82 1ugl n PHE 10 CO 0.00 0.00 0.00 2.89 -0.00 0.00 0.00 176.76 179.65 1ugl n ARG 11 N -1.97 0.88 -4.30 -4.13 -4.01 -1.26 -4.95 116.66 96.93 1ugl n ARG 11 Ca -0.10 -2.88 -0.24 0.00 -1.04 0.00 0.00 57.85 53.58 1ugl n ARG 11 Cb 0.56 -1.42 -0.08 0.00 -3.04 0.00 0.00 32.46 28.48 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 -1.23 2.18 0.08 2.89 3.01 0.12 -5.01 119.74 121.79 1ugl s LYS 12 Ca 0.34 -1.38 -0.13 0.00 -1.01 0.00 0.00 55.97 53.80 1ugl s LYS 12 Cb 0.27 -2.14 0.02 0.00 -1.01 0.00 0.00 37.83 34.97 1ugl s LYS 12 CO -0.10 0.39 0.31 -0.48 0.51 0.00 0.00 175.35 175.97 1ugl s LEU 13 N -3.35 0.86 0.00 3.17 0.05 -1.26 -0.97 118.68 117.18 1ugl s LEU 13 Ca 0.29 -0.36 0.00 0.00 0.05 0.00 0.00 54.13 54.11 1ugl s LEU 13 Cb -0.07 1.44 0.00 0.00 -2.05 0.00 0.00 46.19 45.51 1ugl s LEU 13 CO 0.18 -0.73 0.00 0.61 -0.55 0.00 0.00 176.35 175.86 1ugl n GLY 14 N 0.12 0.83 0.78 -3.48 0.00 -0.31 -4.26 105.19 98.87 1ugl n GLY 14 Ca -0.17 -0.63 0.00 0.00 0.00 0.00 0.00 46.02 45.23 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 -0.14 0.00 -3.66 1.61 5.02 -1.19 -0.12 118.16 119.68 1ugl n LYS 15 Ca 0.00 0.00 -0.30 0.00 -2.02 0.00 0.00 58.31 55.99 1ugl n LYS 15 Cb 0.05 0.00 0.04 0.00 -0.02 0.00 0.00 35.03 35.11 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 -3.47 4.41 0.15 0.00 2.01 0.83 -4.92 115.64 114.65 1ugl s THR 17 Ca 0.46 1.45 -0.21 0.00 0.31 0.00 0.00 61.69 63.70 1ugl s THR 17 Cb -0.16 -3.60 0.03 0.00 0.01 0.00 0.00 72.50 68.78 1ugl s THR 17 CO 0.85 -0.33 1.66 0.74 -0.69 0.00 0.00 174.62 176.85 1ugl h THR 18 N 1.88 0.54 -0.78 -0.82 2.02 -1.91 0.95 112.91 114.79 1ugl h THR 18 Ca -0.49 0.00 0.23 0.00 0.77 0.00 0.00 66.41 66.92 1ugl h THR 18 Cb 1.18 0.54 -0.03 0.00 -1.74 0.00 0.00 68.15 68.10 1ugl h THR 18 CO 0.61 0.00 0.66 0.25 0.37 0.00 0.00 175.52 177.41 1ugl h LEU 19 N -0.15 0.00 0.01 2.58 7.12 -1.93 0.42 115.31 123.36 1ugl h LEU 19 Ca 0.14 0.00 -0.03 0.00 0.13 0.00 0.00 57.88 58.12 1ugl h LEU 19 Cb 0.35 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.49 1ugl h LEU 19 CO -0.34 0.00 -0.10 -0.33 -0.13 0.00 0.00 178.44 177.54 1ugl h GLU 20 N 0.00 0.05 0.00 1.25 4.39 -1.13 0.56 114.58 119.71 1ugl h GLU 20 Ca 0.37 -0.07 -0.04 0.00 0.34 0.00 0.00 59.36 59.96 1ugl h GLU 20 Cb 1.69 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 30.36 1ugl h GLU 20 CO -0.00 0.93 -0.17 1.05 -1.16 0.00 0.00 179.01 179.65 1ugl h GLU 21 N -0.79 0.00 0.12 2.33 4.11 -0.28 -1.66 114.58 118.40 1ugl h GLU 21 Ca -0.02 0.00 -0.27 0.00 0.07 0.00 0.00 59.36 59.14 1ugl h GLU 21 Cb 0.97 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.23 1ugl h GLU 21 CO 0.02 0.17 -1.20 0.93 0.07 0.00 0.00 179.01 179.00 1ugl h GLU 22 N 0.00 0.36 -0.03 1.06 4.39 -0.30 -2.06 114.58 117.99 1ugl h GLU 22 Ca -0.00 -0.54 0.03 0.00 0.34 0.00 0.00 59.36 59.19 1ugl h GLU 22 Cb 0.36 0.19 -0.06 0.00 -0.10 0.00 0.00 28.75 29.14 1ugl h GLU 22 CO 0.02 1.23 -0.44 -0.22 -1.16 0.00 0.00 179.01 178.45 1ugl h LYS 23 N 0.13 -0.55 -0.12 2.33 1.63 0.09 0.18 116.57 120.26 1ugl h LYS 23 Ca -0.14 0.04 -0.09 0.00 -0.85 0.00 0.00 60.65 59.61 1ugl h LYS 23 Cb 1.90 0.12 -0.01 0.00 -0.60 0.00 0.00 32.23 33.65 1ugl h LYS 23 CO 0.21 -0.37 -0.34 0.00 -3.45 0.00 0.00 179.45 175.50 1ugl n LYS 25 N -4.09 0.00 -0.14 0.00 3.00 -0.42 -0.08 118.16 116.43 1ugl n LYS 25 Ca -0.01 0.34 0.22 0.00 -0.00 0.00 0.00 58.31 58.85 1ugl n LYS 25 Cb 0.42 -1.30 0.63 0.00 0.00 0.00 0.00 35.03 34.78 1ugl n LYS 25 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.40 179.19 1ugl h THR 26 N 0.00 0.68 0.04 3.15 1.35 -0.81 -0.32 112.91 116.99 1ugl h THR 26 Ca 0.00 -0.06 -0.23 0.00 -0.55 0.00 0.00 66.41 65.57 1ugl h THR 26 Cb 0.00 0.50 -0.00 0.00 -1.73 0.00 0.00 68.15 66.91 1ugl h THR 26 CO 0.00 0.03 -1.00 -0.07 -0.25 0.00 0.00 175.52 174.23 1ugl h LEU 27 N 0.16 0.40 -6.77 3.87 4.07 -1.45 -3.43 115.31 112.16 1ugl h LEU 27 Ca 0.38 -0.35 -0.41 0.00 0.08 0.00 0.00 57.88 57.57 1ugl h LEU 27 Cb 1.24 -0.12 -0.37 0.00 1.08 0.00 0.00 40.66 42.48 1ugl h LEU 27 CO -0.06 1.18 -0.70 -0.31 -1.08 0.00 0.00 178.44 177.48 1ugl s TYR 28 N -3.07 -0.06 -1.18 1.13 2.02 0.88 -5.07 117.35 112.01 1ugl s TYR 28 Ca -0.04 -0.29 -0.20 0.00 -0.37 0.00 0.00 57.07 56.18 1ugl s TYR 28 Cb 0.09 -0.60 -0.04 0.00 -0.40 0.00 0.00 41.96 41.01 1ugl s TYR 28 CO 0.86 -0.72 1.92 -2.30 -1.57 0.00 0.00 175.55 173.74 1ugl n PRO 29 N 5.29 2.26 -1.69 -1.71 -0.02 -1.17 -4.34 135.00 133.62 1ugl n PRO 29 Ca -0.05 -2.61 -0.00 0.00 -2.02 0.00 0.00 63.50 58.82 1ugl n PRO 29 Cb 0.47 -3.43 -0.00 0.00 -0.02 0.00 0.00 33.50 30.52 1ugl n PRO 29 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1ugl n ARG 30 N 7.71 1.68 -0.00 -0.52 5.12 -1.26 -5.06 116.66 124.33 1ugl n ARG 30 Ca 0.48 -0.01 0.05 0.00 -1.93 0.00 0.00 57.85 56.44 1ugl n ARG 30 Cb 0.44 0.00 -0.07 0.00 -1.16 0.00 0.00 32.46 31.67 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 4.99 -0.34 0.16 -0.13 0.00 -1.26 -4.49 105.19 104.12 1ugl n GLY 31 Ca -0.00 -0.23 0.04 0.00 0.00 0.00 0.00 46.02 45.83 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 -1.74 2.59 -2.90 1.61 3.00 -1.26 -4.81 117.38 113.87 1ugl n GLN 32 Ca -0.01 -1.91 -0.43 0.00 -0.01 0.00 0.00 57.00 54.65 1ugl n GLN 32 Cb 0.23 -1.20 0.01 0.00 0.00 0.00 0.00 30.24 29.28 1ugl n GLN 32 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1ugl n THR 34 N 1.19 0.00 -3.80 0.00 5.66 -1.26 -4.03 114.28 112.04 1ugl n THR 34 Ca 0.30 0.00 -0.35 0.00 -3.05 0.00 0.00 64.05 60.96 1ugl n THR 34 Cb 0.32 -0.00 -0.05 0.00 -1.55 0.00 0.00 70.33 69.05 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 -1.69 -0.03 0.12 0.00 0.01 -0.46 -4.79 113.70 106.86 1ugl s SER 36 Ca 0.26 0.55 0.05 0.00 1.31 0.00 0.00 55.95 58.12 1ugl s SER 36 Cb -0.13 0.51 -0.04 0.00 0.21 0.00 0.00 66.02 66.57 1ugl s SER 36 CO 0.16 -0.19 -0.11 -0.62 0.41 0.00 0.00 173.24 172.88 1ugl s ASP 37 N 1.70 1.72 0.00 2.44 -1.08 -1.26 -2.21 116.67 117.97 1ugl s ASP 37 Ca -0.05 -0.88 0.00 0.00 -0.52 0.00 0.00 52.55 51.09 1ugl s ASP 37 Cb -0.11 -0.02 0.00 0.00 -1.46 0.00 0.00 42.92 41.33 1ugl s ASP 37 CO -0.09 -0.26 0.00 -0.24 0.52 0.00 0.00 175.17 175.11 1ugl n SER 38 N 0.27 0.00 -2.36 -0.34 2.88 -1.26 -5.01 113.62 107.81 1ugl n SER 38 Ca -0.14 0.00 -0.02 0.00 -1.33 0.00 0.00 58.87 57.38 1ugl n SER 38 Cb 0.59 -0.13 0.08 0.00 -0.75 0.00 0.00 64.21 64.00 1ugl n SER 38 CO 0.00 0.00 0.00 2.29 -1.23 0.00 0.00 175.04 176.10 1ugl n LYS 39 N -1.74 0.84 -2.49 -1.46 2.85 -1.26 -5.15 118.16 109.75 1ugl n LYS 39 Ca 0.00 -0.92 -0.05 0.00 -1.05 0.00 0.00 58.31 56.29 1ugl n LYS 39 Cb 0.00 0.19 -0.02 0.00 -0.65 0.00 0.00 35.03 34.56 1ugl n LYS 39 CO 0.00 0.00 0.00 -1.33 -0.05 0.00 0.00 177.40 176.02 1ugl n MET 40 N -0.88 0.17 0.09 -1.58 2.81 -1.26 -5.05 117.12 111.42 1ugl n MET 40 Ca -0.12 -0.93 -0.03 0.00 -1.81 0.00 0.00 57.70 54.81 1ugl n MET 40 Cb 0.75 0.82 -0.06 0.00 -0.71 0.00 0.00 33.22 34.01 1ugl n MET 40 CO 0.00 0.00 0.00 -0.97 1.51 0.00 0.00 175.97 176.51 1ugl h ASN 41 N 0.61 0.00 -3.12 7.83 -0.73 -2.00 -3.41 115.58 114.76 1ugl h ASN 41 Ca -0.08 0.00 -0.67 0.00 1.87 0.00 0.00 56.30 57.42 1ugl h ASN 41 Cb 0.36 0.00 -0.12 0.00 0.27 0.00 0.00 38.32 38.83 1ugl h ASN 41 CO 0.11 0.79 -0.58 0.42 -0.37 0.00 0.00 177.43 177.80 1ugl s THR 42 N -2.81 4.67 0.00 -3.57 -4.23 -1.26 -1.16 115.64 107.27 1ugl s THR 42 Ca 0.02 -0.17 0.00 0.00 -1.18 0.00 0.00 61.69 60.36 1ugl s THR 42 Cb 0.09 -3.01 0.00 0.00 1.34 0.00 0.00 72.50 70.92 1ugl s THR 42 CO 0.79 0.57 0.00 0.00 -0.54 0.00 0.00 174.62 175.44 1ugl n HIS 43 N 1.94 -0.50 -0.67 3.99 1.44 -0.14 -4.73 115.22 116.55 1ugl n HIS 43 Ca -0.18 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.53 1ugl n HIS 43 Cb 0.54 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.65 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 -1.70 1.67 -4.19 4.39 3.41 -0.94 0.15 113.62 116.41 1ugl n SER 44 Ca 0.00 0.00 -0.19 0.00 -0.26 0.00 0.00 58.87 58.42 1ugl n SER 44 Cb 0.00 0.00 -0.12 0.00 -0.26 0.00 0.00 64.21 63.83 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 1.11 5.50 0.29 0.00 2.03 -1.24 -3.16 116.55 121.08 1ugl n ASP 46 Ca -0.20 -3.71 0.13 0.00 0.52 0.00 0.00 54.79 51.53 1ugl n ASP 46 Cb 0.55 -0.72 0.84 0.00 -0.72 0.00 0.00 41.12 41.07 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 -4.67 1.10 -1.16 0.00 2.36 -1.26 -4.35 119.74 111.76 1ugl s LYS 48 Ca -0.05 -1.49 -0.14 0.00 -2.55 0.00 0.00 55.97 51.74 1ugl s LYS 48 Cb 0.15 -0.58 -0.06 0.00 -1.05 0.00 0.00 37.83 36.29 1ugl s LYS 48 CO 0.58 0.03 2.24 0.45 1.55 0.00 0.00 175.35 180.19 1ugl n SER 49 N -0.23 4.50 -0.42 1.43 2.88 -1.26 -4.70 113.62 115.82 1ugl n SER 49 Ca -0.09 -2.64 0.14 0.00 -1.33 0.00 0.00 58.87 54.95 1ugl n SER 49 Cb 0.61 -1.36 0.58 0.00 -0.75 0.00 0.00 64.21 63.29 1ugl n SER 49 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81