#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ugl n LEU 2 N 0.00 -5.35 -4.76 -4.53 4.32 -1.26 -4.91 117.00 100.52 1ugl n LEU 2 Ca 0.00 2.55 -0.39 0.00 -0.02 0.00 0.00 56.01 58.15 1ugl n LEU 2 Cb 0.00 -2.73 0.02 0.00 -1.62 0.00 0.00 43.42 39.09 1ugl n LEU 2 CO 0.00 -1.59 1.01 -0.04 -1.22 0.00 0.00 177.39 175.55 1ugl s MET 3 N -1.08 3.54 -0.00 3.23 -1.94 -1.26 -4.95 119.30 116.83 1ugl s MET 3 Ca 0.00 2.28 -0.02 0.00 -1.71 0.00 0.00 55.69 56.24 1ugl s MET 3 Cb 0.00 -2.51 -0.01 0.00 2.01 0.00 0.00 34.83 34.31 1ugl s MET 3 CO 0.00 -0.89 -0.04 1.63 -0.01 0.00 0.00 175.02 175.72 1ugl n LYS 4 N -0.46 0.06 -0.15 2.03 4.01 -1.26 -5.00 118.16 117.39 1ugl n LYS 4 Ca 0.07 0.03 0.00 0.00 -0.51 0.00 0.00 58.31 57.89 1ugl n LYS 4 Cb 0.44 -0.60 0.00 0.00 -0.51 0.00 0.00 35.03 34.35 1ugl n LYS 4 CO 0.00 0.00 0.00 2.89 -1.11 0.00 0.00 177.40 179.18 1ugl n ARG 5 N -3.25 0.00 -1.46 1.97 -4.01 -1.26 -4.66 116.66 103.99 1ugl n ARG 5 Ca -0.05 0.00 0.00 0.00 -1.04 0.00 0.00 57.85 56.76 1ugl n ARG 5 Cb 0.41 -3.11 0.00 0.00 -3.04 0.00 0.00 32.46 26.73 1ugl n ARG 5 CO 0.00 0.00 0.00 0.00 -3.04 0.00 0.00 177.63 174.59 1ugl n THR 7 N -0.65 0.00 -2.76 0.00 5.66 0.18 -4.55 114.28 112.17 1ugl n THR 7 Ca 0.00 0.00 -0.04 0.00 -3.05 0.00 0.00 64.05 60.96 1ugl n THR 7 Cb 0.00 0.00 0.04 0.00 -1.55 0.00 0.00 70.33 68.82 1ugl n THR 7 CO 0.00 0.00 0.00 -2.11 -3.05 0.00 0.00 175.07 169.91 1ugl n ARG 8 N -0.01 1.57 0.00 1.09 1.85 -1.26 -4.86 116.66 115.04 1ugl n ARG 8 Ca 0.00 -3.44 0.00 0.00 -1.00 0.00 0.00 57.85 53.41 1ugl n ARG 8 Cb 0.00 -1.50 0.00 0.00 -1.05 0.00 0.00 32.46 29.91 1ugl n ARG 8 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1ugl n GLY 9 N -0.41 1.41 3.01 2.89 0.00 -1.26 -4.75 105.19 106.08 1ugl n GLY 9 Ca 0.09 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.98 -3.20 -2.79 1.61 -0.00 -1.26 -5.00 117.46 105.83 1ugl n PHE 10 Ca 0.00 1.27 -0.11 0.00 -0.00 0.00 0.00 57.45 58.62 1ugl n PHE 10 Cb 0.00 -3.87 0.03 0.00 -0.00 0.00 0.00 39.48 35.64 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 -0.89 1.10 -4.31 -4.13 -4.01 -1.26 -4.95 116.66 98.21 1ugl n ARG 11 Ca 0.04 -2.98 -0.26 0.00 -1.04 0.00 0.00 57.85 53.61 1ugl n ARG 11 Cb 0.50 -1.15 -0.09 0.00 -3.04 0.00 0.00 32.46 28.67 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 -2.25 2.01 0.10 2.89 3.01 0.54 -5.02 119.74 121.02 1ugl s LYS 12 Ca 0.29 -1.34 -0.12 0.00 -1.01 0.00 0.00 55.97 53.79 1ugl s LYS 12 Cb 0.42 -2.11 0.02 0.00 -1.01 0.00 0.00 37.83 35.15 1ugl s LYS 12 CO -0.01 0.42 0.29 -0.48 0.51 0.00 0.00 175.35 176.07 1ugl s LEU 13 N -2.96 0.95 0.00 3.17 0.05 -1.26 -1.07 118.68 117.57 1ugl s LEU 13 Ca 0.26 -0.47 0.00 0.00 0.05 0.00 0.00 54.13 53.97 1ugl s LEU 13 Cb -0.08 1.40 0.00 0.00 -2.05 0.00 0.00 46.19 45.45 1ugl s LEU 13 CO 0.15 -0.77 0.00 0.61 -0.55 0.00 0.00 176.35 175.79 1ugl n GLY 14 N -0.06 0.84 1.94 -3.48 0.00 -0.59 -4.31 105.19 99.53 1ugl n GLY 14 Ca -0.16 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.56 -3.73 1.61 5.02 -0.97 -0.70 118.16 118.82 1ugl n LYS 15 Ca 0.00 0.51 -0.23 0.00 -2.02 0.00 0.00 58.31 56.57 1ugl n LYS 15 Cb 0.00 -0.70 0.02 0.00 -0.02 0.00 0.00 35.03 34.34 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 -3.70 3.59 0.11 0.00 2.01 0.12 -4.86 115.64 112.91 1ugl s THR 17 Ca 0.07 0.79 -0.28 0.00 0.31 0.00 0.00 61.69 62.58 1ugl s THR 17 Cb -0.02 -3.30 -0.08 0.00 0.01 0.00 0.00 72.50 69.11 1ugl s THR 17 CO 0.83 -0.41 1.63 0.74 -0.69 0.00 0.00 174.62 176.72 1ugl h THR 18 N 0.48 0.36 -0.74 -0.82 2.02 -1.90 0.69 112.91 113.01 1ugl h THR 18 Ca -0.47 0.00 0.21 0.00 0.77 0.00 0.00 66.41 66.92 1ugl h THR 18 Cb 1.23 0.36 -0.03 0.00 -1.74 0.00 0.00 68.15 67.97 1ugl h THR 18 CO 0.57 0.00 0.64 0.25 0.37 0.00 0.00 175.52 177.34 1ugl h LEU 19 N -0.51 0.00 0.05 2.58 7.12 -1.93 0.25 115.31 122.87 1ugl h LEU 19 Ca 0.03 0.00 -0.00 0.00 0.13 0.00 0.00 57.88 58.04 1ugl h LEU 19 Cb 0.54 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.67 1ugl h LEU 19 CO -0.18 0.00 -0.03 -0.08 -0.13 0.00 0.00 178.44 178.03 1ugl h GLU 20 N 0.00 -0.07 -0.35 1.25 4.57 -1.18 0.86 114.58 119.66 1ugl h GLU 20 Ca 0.35 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.52 1ugl h GLU 20 Cb 1.62 0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 30.21 1ugl h GLU 20 CO -0.00 0.54 0.16 1.05 -1.18 0.00 0.00 179.01 179.58 1ugl h GLU 21 N -0.79 0.49 -0.15 1.92 4.11 0.16 -1.13 114.58 119.19 1ugl h GLU 21 Ca -0.01 -0.05 -0.18 0.00 0.07 0.00 0.00 59.36 59.19 1ugl h GLU 21 Cb 0.64 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 29.79 1ugl h GLU 21 CO 0.01 0.39 -0.64 0.93 0.07 0.00 0.00 179.01 179.77 1ugl h GLU 22 N 0.49 0.55 -0.47 1.06 4.39 -0.63 -2.48 114.58 117.49 1ugl h GLU 22 Ca 0.12 -0.39 0.07 0.00 0.34 0.00 0.00 59.36 59.50 1ugl h GLU 22 Cb 0.07 0.06 -0.06 0.00 -0.10 0.00 0.00 28.75 28.73 1ugl h GLU 22 CO -0.02 1.01 0.14 -0.22 -1.16 0.00 0.00 179.01 178.77 1ugl h LYS 23 N 0.40 0.29 -0.32 2.33 1.63 0.44 0.17 116.57 121.51 1ugl h LYS 23 Ca -0.01 -0.02 -0.07 0.00 -0.85 0.00 0.00 60.65 59.70 1ugl h LYS 23 Cb 1.21 -0.07 -0.02 0.00 -0.60 0.00 0.00 32.23 32.75 1ugl h LYS 23 CO 0.12 0.20 -0.10 0.00 -3.45 0.00 0.00 179.45 176.21 1ugl h LYS 25 N 0.51 -0.01 -0.88 0.00 6.56 -0.69 0.15 116.57 122.21 1ugl h LYS 25 Ca 0.09 0.00 0.21 0.00 -1.06 0.00 0.00 60.65 59.90 1ugl h LYS 25 Cb 0.49 0.00 -0.06 0.00 -0.57 0.00 0.00 32.23 32.09 1ugl h LYS 25 CO 0.03 -0.01 0.59 1.79 -2.06 0.00 0.00 179.45 179.79 1ugl h THR 26 N -0.02 0.66 0.15 -0.16 1.35 -0.85 -1.85 112.91 112.20 1ugl h THR 26 Ca -0.00 -0.10 -0.24 0.00 -0.55 0.00 0.00 66.41 65.52 1ugl h THR 26 Cb 0.01 0.33 0.02 0.00 -1.73 0.00 0.00 68.15 66.78 1ugl h THR 26 CO 0.00 0.05 -1.10 -0.07 -0.25 0.00 0.00 175.52 174.15 1ugl h LEU 27 N 0.30 0.50 -7.06 3.87 -0.00 -1.42 -3.44 115.31 108.06 1ugl h LEU 27 Ca 0.45 -0.92 -0.56 0.00 -0.00 0.00 0.00 57.88 56.85 1ugl h LEU 27 Cb 1.27 -0.16 -0.40 0.00 -0.00 0.00 0.00 40.66 41.37 1ugl h LEU 27 CO -0.13 1.51 -0.76 -0.31 -0.00 0.00 0.00 178.44 178.75 1ugl s TYR 28 N -2.47 1.23 -1.04 1.13 2.02 0.51 -5.05 117.35 113.67 1ugl s TYR 28 Ca -0.15 -1.38 -0.21 0.00 -0.37 0.00 0.00 57.07 54.96 1ugl s TYR 28 Cb 0.02 -1.40 -0.09 0.00 -0.40 0.00 0.00 41.96 40.10 1ugl s TYR 28 CO 0.83 -0.83 1.96 -2.30 -1.57 0.00 0.00 175.55 173.63 1ugl n PRO 29 N 4.99 1.92 -4.67 -1.71 -0.02 -1.13 -4.15 135.00 130.23 1ugl n PRO 29 Ca -0.04 -2.28 -0.33 0.00 -2.02 0.00 0.00 63.50 58.83 1ugl n PRO 29 Cb 0.43 -3.25 -0.06 0.00 -0.02 0.00 0.00 33.50 30.60 1ugl n PRO 29 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1ugl s ARG 30 N 5.01 2.23 -0.01 -0.52 1.81 -1.26 -5.05 118.95 121.15 1ugl s ARG 30 Ca 0.58 -2.40 0.16 0.00 -1.72 0.00 0.00 55.73 52.35 1ugl s ARG 30 Cb 0.09 -1.59 -0.22 0.00 -0.45 0.00 0.00 34.95 32.79 1ugl s ARG 30 CO 0.09 -0.45 0.47 0.41 -0.68 0.00 0.00 175.30 175.14 1ugl n GLY 31 N -1.38 -0.65 0.28 -3.53 0.00 -1.26 -4.35 105.19 94.31 1ugl n GLY 31 Ca -0.19 -0.41 0.03 0.00 0.00 0.00 0.00 46.02 45.45 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 -1.81 2.92 -3.33 1.61 6.02 -1.26 -4.90 117.38 116.63 1ugl n GLN 32 Ca -0.01 -1.76 -0.46 0.00 -0.01 0.00 0.00 57.00 54.76 1ugl n GLN 32 Cb 0.36 -1.13 -0.05 0.00 1.02 0.00 0.00 30.24 30.44 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 5.01 0.00 -3.58 0.00 5.66 -1.26 -4.49 114.28 115.63 1ugl n THR 34 Ca -0.09 0.00 -0.36 0.00 -3.05 0.00 0.00 64.05 60.55 1ugl n THR 34 Cb 0.41 0.00 -0.07 0.00 -1.55 0.00 0.00 70.33 69.12 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 0.39 1.40 0.04 0.00 0.15 -0.40 -4.93 113.70 110.35 1ugl s SER 36 Ca 0.15 -0.16 -0.04 0.00 0.70 0.00 0.00 55.95 56.59 1ugl s SER 36 Cb -0.13 -0.55 -0.02 0.00 -1.71 0.00 0.00 66.02 63.62 1ugl s SER 36 CO 0.03 -0.09 0.07 -0.62 1.20 0.00 0.00 173.24 173.83 1ugl s ASP 37 N 1.28 0.24 -0.12 5.45 2.15 -1.26 -2.37 116.67 122.05 1ugl s ASP 37 Ca -0.05 -0.65 -0.12 0.00 0.43 0.00 0.00 52.55 52.16 1ugl s ASP 37 Cb -0.14 0.22 -0.04 0.00 -0.30 0.00 0.00 42.92 42.67 1ugl s ASP 37 CO -0.02 -0.54 -0.24 -1.54 -0.17 0.00 0.00 175.17 172.66 1ugl n SER 38 N 0.59 1.34 -1.99 -0.34 3.41 -1.26 -4.98 113.62 110.39 1ugl n SER 38 Ca -0.18 0.23 -0.01 0.00 -0.26 0.00 0.00 58.87 58.65 1ugl n SER 38 Cb 0.59 -0.66 0.03 0.00 -0.26 0.00 0.00 64.21 63.92 1ugl n SER 38 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 1ugl n LYS 39 N -3.85 0.40 -4.18 4.33 4.81 -1.26 -5.16 118.16 113.25 1ugl n LYS 39 Ca -0.10 -0.45 -0.11 0.00 -0.87 0.00 0.00 58.31 56.78 1ugl n LYS 39 Cb 0.36 0.10 -0.10 0.00 0.02 0.00 0.00 35.03 35.41 1ugl n LYS 39 CO 0.00 0.00 0.00 -1.64 1.17 0.00 0.00 177.40 176.93 1ugl s MET 40 N 0.04 0.99 0.45 1.64 -1.94 -1.26 -5.04 119.30 114.18 1ugl s MET 40 Ca 0.03 -1.47 0.16 0.00 -1.71 0.00 0.00 55.69 52.70 1ugl s MET 40 Cb 0.13 0.09 1.02 0.00 2.01 0.00 0.00 34.83 38.09 1ugl s MET 40 CO -0.04 -0.23 1.98 -0.97 -0.01 0.00 0.00 175.02 175.76 1ugl h ASN 41 N 2.81 0.00 -2.69 3.03 -1.24 -2.00 -3.42 115.58 112.07 1ugl h ASN 41 Ca -0.36 0.00 -0.66 0.00 0.71 0.00 0.00 56.30 55.99 1ugl h ASN 41 Cb 1.20 0.00 -0.06 0.00 0.73 0.00 0.00 38.32 40.19 1ugl h ASN 41 CO 0.60 0.20 -0.48 0.42 -1.29 0.00 0.00 177.43 176.87 1ugl s THR 42 N -4.54 5.49 0.24 -3.57 -4.23 -1.26 -1.54 115.64 106.22 1ugl s THR 42 Ca -0.04 0.10 -0.03 0.00 -1.18 0.00 0.00 61.69 60.54 1ugl s THR 42 Cb 0.15 -3.44 0.01 0.00 1.34 0.00 0.00 72.50 70.57 1ugl s THR 42 CO 0.69 0.53 0.36 0.00 -0.54 0.00 0.00 174.62 175.66 1ugl n HIS 43 N 1.67 -1.28 -2.65 3.99 1.44 -0.23 -4.79 115.22 113.37 1ugl n HIS 43 Ca -0.17 -1.47 0.00 0.00 -2.01 0.00 0.00 57.72 54.07 1ugl n HIS 43 Cb 0.54 0.42 0.00 0.00 0.12 0.00 0.00 29.99 31.07 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 0.00 -4.81 4.39 3.41 -1.00 -0.34 113.62 113.58 1ugl n SER 44 Ca -0.01 -0.34 -0.36 0.00 -0.26 0.00 0.00 58.87 57.90 1ugl n SER 44 Cb 0.39 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.27 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 2.67 5.05 0.30 0.00 -0.08 -1.23 0.48 116.55 123.75 1ugl n ASP 46 Ca -0.18 -3.73 0.16 0.00 -1.51 0.00 0.00 54.79 49.53 1ugl n ASP 46 Cb 0.54 -0.56 0.95 0.00 2.34 0.00 0.00 41.12 44.39 1ugl n ASP 46 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1ugl s LYS 48 N -4.57 0.01 -0.93 0.00 2.36 -1.26 -4.48 119.74 110.87 1ugl s LYS 48 Ca -0.05 0.11 -0.28 0.00 -2.55 0.00 0.00 55.97 53.21 1ugl s LYS 48 Cb 0.15 -0.10 -0.21 0.00 -1.05 0.00 0.00 37.83 36.62 1ugl s LYS 48 CO 0.53 -0.08 2.59 0.43 1.55 0.00 0.00 175.35 180.37 1ugl n SER 49 N 3.56 0.40 0.00 1.43 7.64 -1.26 -4.34 113.62 121.05 1ugl n SER 49 Ca -0.19 -0.04 0.00 0.00 1.01 0.00 0.00 58.87 59.65 1ugl n SER 49 Cb 0.56 -0.98 0.00 0.00 -1.01 0.00 0.00 64.21 62.77 1ugl n SER 49 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03