#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nag s PRO 2 N 0.00 3.06 0.53 -0.14 0.02 -1.26 -4.91 135.00 132.30 1nag s PRO 2 Ca 0.00 1.96 0.22 0.00 0.02 0.00 0.00 61.00 63.19 1nag s PRO 2 Cb 0.00 -2.06 1.38 0.00 0.02 0.00 0.00 34.50 33.84 1nag s PRO 2 CO 0.00 -1.17 2.08 -0.44 -0.33 0.00 0.00 177.00 177.14 1nag h ASP 3 N 1.13 0.00 0.17 2.53 3.32 -2.03 -1.67 116.42 119.88 1nag h ASP 3 Ca -0.50 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 56.54 1nag h ASP 3 Cb 1.30 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.85 1nag h ASP 3 CO 0.56 0.00 -0.00 2.19 -1.72 0.00 0.00 179.24 180.27 1nag h PHE 4 N 0.00 0.00 -0.10 4.55 -5.15 -1.98 -1.21 116.94 113.05 1nag h PHE 4 Ca 0.11 0.00 -0.02 0.00 -0.20 0.00 0.00 57.97 57.86 1nag h PHE 4 Cb 0.47 0.00 -0.01 0.00 0.22 0.00 0.00 35.95 36.64 1nag h PHE 4 CO 0.00 0.00 -0.05 0.00 -2.00 0.00 0.00 178.31 176.26 1nag n LEU 6 N -4.39 1.93 -4.79 0.00 4.32 -0.46 -4.44 117.00 109.16 1nag n LEU 6 Ca -0.01 -0.71 -0.36 0.00 -0.02 0.00 0.00 56.01 54.91 1nag n LEU 6 Cb 0.18 -0.05 -0.06 0.00 -1.62 0.00 0.00 43.42 41.87 1nag n LEU 6 CO 0.36 0.35 0.66 -1.61 -1.22 0.00 0.00 177.39 175.94 1nag s GLU 7 N -1.90 4.41 0.63 3.23 2.02 -1.06 -5.01 118.70 121.02 1nag s GLU 7 Ca 0.35 1.30 -0.17 0.00 0.02 0.00 0.00 54.97 56.46 1nag s GLU 7 Cb 0.20 -2.58 -0.01 0.00 0.10 0.00 0.00 34.13 31.84 1nag s GLU 7 CO 0.31 0.12 1.17 -1.25 0.02 0.00 0.00 175.26 175.63 1nag s PRO 8 N -2.46 2.79 0.71 0.39 0.04 -1.26 -4.93 135.00 130.28 1nag s PRO 8 Ca 0.55 1.68 -0.15 0.00 0.04 0.00 0.00 61.00 63.11 1nag s PRO 8 Cb -0.16 -1.92 0.03 0.00 0.04 0.00 0.00 34.50 32.48 1nag s PRO 8 CO 0.21 -1.31 1.20 -1.25 0.04 0.00 0.00 177.00 175.89 1nag s PRO 9 N -3.64 2.29 -0.16 0.56 0.04 -1.26 -5.03 135.00 127.81 1nag s PRO 9 Ca 0.74 1.74 0.00 0.00 0.04 0.00 0.00 61.00 63.52 1nag s PRO 9 Cb -0.27 -1.85 0.03 0.00 0.04 0.00 0.00 34.50 32.45 1nag s PRO 9 CO 0.37 -1.72 -0.09 -0.47 0.04 0.00 0.00 177.00 175.13 1nag s TYR 10 N -1.96 1.95 0.06 0.56 5.04 -1.26 -5.01 117.35 116.73 1nag s TYR 10 Ca 0.74 -1.17 -0.16 0.00 -2.44 0.00 0.00 57.07 54.04 1nag s TYR 10 Cb -0.29 -1.45 -0.17 0.00 0.35 0.00 0.00 41.96 40.40 1nag s TYR 10 CO 0.44 -0.64 1.25 1.15 -1.34 0.00 0.00 175.55 176.41 1nag h THR 11 N 6.25 1.34 0.00 4.34 2.02 -1.96 -3.45 112.91 121.44 1nag h THR 11 Ca -0.30 -1.88 0.00 0.00 0.77 0.00 0.00 66.41 65.00 1nag h THR 11 Cb 1.12 2.13 0.00 0.00 -1.74 0.00 0.00 68.15 69.66 1nag h THR 11 CO 0.46 0.58 0.00 0.61 0.37 0.00 0.00 175.52 177.53 1nag n GLY 12 N 0.71 -0.85 0.28 2.16 0.00 -1.26 -0.99 105.19 105.25 1nag n GLY 12 Ca -0.08 -1.69 0.13 0.00 0.00 0.00 0.00 46.02 44.39 1nag n GLY 12 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1nag n PRO 13 N -0.79 0.97 -1.86 1.61 -0.04 -1.26 -4.71 135.00 128.92 1nag n PRO 13 Ca 0.00 -0.57 -0.30 0.00 -0.04 0.00 0.00 63.50 62.59 1nag n PRO 13 Cb 0.00 -1.49 0.07 0.00 -0.04 0.00 0.00 33.50 32.04 1nag n PRO 13 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1nag n LYS 15 N -3.16 2.69 -1.75 0.00 5.02 -1.15 -4.47 118.16 115.33 1nag n LYS 15 Ca 0.07 -2.39 -0.29 0.00 -2.02 0.00 0.00 58.31 53.68 1nag n LYS 15 Cb 0.58 -1.46 0.15 0.00 -0.02 0.00 0.00 35.03 34.29 1nag n LYS 15 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1nag s ALA 16 N -1.05 2.10 -0.54 7.82 0.00 0.05 -5.02 121.76 125.11 1nag s ALA 16 Ca 0.39 -0.86 0.05 0.00 0.00 0.00 0.00 51.96 51.54 1nag s ALA 16 Cb 0.20 -2.90 0.20 0.00 0.00 0.00 0.00 23.12 20.62 1nag s ALA 16 CO 0.27 -2.29 0.49 0.54 0.00 0.00 0.00 175.76 174.76 1nag n ARG 17 N -3.73 1.16 -3.62 0.00 1.74 -1.26 -4.06 116.66 106.90 1nag n ARG 17 Ca 0.11 -3.83 -0.36 0.00 -0.77 0.00 0.00 57.85 53.00 1nag n ARG 17 Cb 0.60 -1.87 -0.08 0.00 -1.02 0.00 0.00 32.46 30.08 1nag n ARG 17 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1nag s ILE 18 N -1.04 5.34 -0.18 0.55 1.01 -0.35 -4.89 121.20 121.64 1nag s ILE 18 Ca 0.32 0.32 -0.28 0.00 0.00 0.00 0.00 60.65 61.01 1nag s ILE 18 Cb 0.06 -3.55 -0.00 0.00 0.01 0.00 0.00 42.46 38.98 1nag s ILE 18 CO -0.14 0.37 0.98 -0.63 0.00 0.00 0.00 174.94 175.52 1nag s ILE 19 N 0.76 4.76 0.35 2.92 -1.09 -1.26 0.35 121.20 127.99 1nag s ILE 19 Ca 0.11 1.94 0.05 0.00 -2.23 0.00 0.00 60.65 60.51 1nag s ILE 19 Cb -0.13 -4.27 -0.07 0.00 -1.58 0.00 0.00 42.46 36.42 1nag s ILE 19 CO 0.03 -0.08 0.05 -0.13 -1.23 0.00 0.00 174.94 173.58 1nag s ARG 20 N 2.61 1.74 0.08 2.79 1.81 -0.60 -4.96 118.95 122.42 1nag s ARG 20 Ca 0.44 -1.97 0.07 0.00 -1.72 0.00 0.00 55.73 52.55 1nag s ARG 20 Cb -0.16 -1.06 -0.04 0.00 -0.45 0.00 0.00 34.95 33.24 1nag s ARG 20 CO 0.11 -0.16 -0.14 0.71 -0.68 0.00 0.00 175.30 175.14 1nag s TYR 21 N -3.15 2.66 0.04 -0.53 1.51 0.06 -0.85 117.35 117.09 1nag s TYR 21 Ca 0.36 -0.20 -0.02 0.00 -1.01 0.00 0.00 57.07 56.20 1nag s TYR 21 Cb 0.09 -1.44 -0.03 0.00 -0.11 0.00 0.00 41.96 40.47 1nag s TYR 21 CO 0.16 0.36 0.00 -0.59 -1.11 0.00 0.00 175.55 174.38 1nag s PHE 22 N -1.09 0.40 -0.23 2.71 -0.71 -0.15 -1.14 117.98 117.76 1nag s PHE 22 Ca 0.18 -0.84 -0.19 0.00 -1.04 0.00 0.00 56.93 55.03 1nag s PHE 22 Cb -0.11 -0.29 -0.02 0.00 -1.21 0.00 0.00 43.02 41.39 1nag s PHE 22 CO 0.10 -0.35 0.58 -0.47 -1.34 0.00 0.00 175.22 173.74 1nag s TYR 23 N -3.20 3.32 -0.52 3.49 5.04 -1.26 -0.67 117.35 123.54 1nag s TYR 23 Ca 0.00 0.79 -0.17 0.00 -2.44 0.00 0.00 57.07 55.25 1nag s TYR 23 Cb 0.03 -2.77 0.09 0.00 0.35 0.00 0.00 41.96 39.66 1nag s TYR 23 CO -0.07 -0.24 0.55 1.21 -1.34 0.00 0.00 175.55 175.66 1nag s ASN 24 N 1.37 6.18 0.44 4.32 3.84 -0.60 -4.79 114.94 125.70 1nag s ASN 24 Ca 0.25 -1.34 0.11 0.00 0.21 0.00 0.00 52.86 52.09 1nag s ASN 24 Cb -0.16 -2.24 0.96 0.00 -0.55 0.00 0.00 41.25 39.26 1nag s ASN 24 CO 0.09 -0.86 2.03 0.00 -2.79 0.00 0.00 177.10 175.57 1nag h ALA 25 N 8.95 1.72 0.12 1.71 0.00 -1.88 0.26 119.26 130.13 1nag h ALA 25 Ca -0.29 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.52 1nag h ALA 25 Cb 1.10 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.81 1nag h ALA 25 CO 0.99 0.22 -0.06 -0.22 0.00 0.00 0.00 179.25 180.18 1nag h LYS 26 N 0.24 -0.15 0.00 0.00 3.64 -1.94 -3.16 116.57 115.19 1nag h LYS 26 Ca 0.06 0.01 -0.10 0.00 -1.27 0.00 0.00 60.65 59.35 1nag h LYS 26 Cb 0.14 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 31.98 1nag h LYS 26 CO 0.00 0.12 -0.48 0.00 -2.27 0.00 0.00 179.45 176.82 1nag h ALA 27 N 0.42 0.94 0.00 5.00 0.00 -1.89 -3.47 119.26 120.26 1nag h ALA 27 Ca -0.02 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1nag h ALA 27 Cb 0.34 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1nag h ALA 27 CO 0.03 0.60 0.00 0.41 0.00 0.00 0.00 179.25 180.29 1nag n GLY 28 N 0.35 0.48 3.26 0.00 0.00 0.88 -5.02 105.19 105.13 1nag n GLY 28 Ca -0.00 -0.29 -0.14 0.00 0.00 0.00 0.00 46.02 45.58 1nag n GLY 28 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1nag s LEU 29 N 0.00 1.52 0.09 0.99 1.43 -1.20 -4.99 118.68 116.52 1nag s LEU 29 Ca 0.00 -1.35 -0.19 0.00 -1.03 0.00 0.00 54.13 51.55 1nag s LEU 29 Cb 0.00 0.16 -0.07 0.00 0.03 0.00 0.00 46.19 46.31 1nag s LEU 29 CO 0.00 -0.75 0.59 0.00 0.23 0.00 0.00 176.35 176.41 1nag s GLN 31 N -1.24 1.61 0.35 0.00 -0.21 0.16 -4.92 119.66 115.41 1nag s GLN 31 Ca 0.31 -1.90 -0.00 0.00 0.02 0.00 0.00 55.36 53.79 1nag s GLN 31 Cb -0.19 -0.72 -0.03 0.00 1.00 0.00 0.00 33.01 33.06 1nag s GLN 31 CO 0.20 -0.23 0.57 0.95 -2.12 0.00 0.00 175.29 174.66 1nag s THR 32 N -3.39 5.08 0.13 -0.19 -4.23 -1.26 -0.98 115.64 110.80 1nag s THR 32 Ca 0.36 -0.37 -0.13 0.00 -1.18 0.00 0.00 61.69 60.36 1nag s THR 32 Cb 0.08 -3.85 0.02 0.00 1.34 0.00 0.00 72.50 70.09 1nag s THR 32 CO 0.15 -0.57 0.35 0.72 -0.54 0.00 0.00 174.62 174.73 1nag s PHE 33 N -2.34 -0.03 -0.21 3.99 -0.71 -0.03 -4.88 117.98 113.77 1nag s PHE 33 Ca 0.41 -0.33 -0.15 0.00 -1.04 0.00 0.00 56.93 55.82 1nag s PHE 33 Cb -0.10 0.16 -0.04 0.00 -1.21 0.00 0.00 43.02 41.83 1nag s PHE 33 CO 0.36 -0.69 0.37 0.08 -1.34 0.00 0.00 175.22 174.01 1nag s VAL 34 N -3.85 5.21 -0.11 -2.49 1.01 -1.26 -1.55 120.40 117.36 1nag s VAL 34 Ca 0.06 0.65 -0.04 0.00 0.00 0.00 0.00 61.98 62.65 1nag s VAL 34 Cb 0.02 -3.70 -0.04 0.00 0.00 0.00 0.00 36.38 32.66 1nag s VAL 34 CO -0.09 0.25 0.03 -0.47 0.00 0.00 0.00 175.10 174.83 1nag s TYR 35 N 1.34 3.25 -0.66 5.22 5.04 0.16 -4.44 117.35 127.24 1nag s TYR 35 Ca 0.18 0.21 0.26 0.00 -2.44 0.00 0.00 57.07 55.28 1nag s TYR 35 Cb -0.15 -1.86 0.83 0.00 0.35 0.00 0.00 41.96 41.13 1nag s TYR 35 CO 0.08 0.45 1.76 0.78 -1.34 0.00 0.00 175.55 177.28 1nag h GLY 36 N 5.41 0.00 0.00 8.97 0.00 -1.20 -0.93 103.07 115.32 1nag h GLY 36 Ca -0.49 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.84 1nag h GLY 36 CO 0.58 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.73 1nag n GLY 37 N 1.04 0.70 3.29 4.60 0.00 -1.26 -0.77 105.19 112.79 1nag n GLY 37 Ca 0.05 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.97 1nag n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nag n ARG 39 N -0.16 -4.86 -1.80 0.00 5.12 -1.26 -4.57 116.66 109.12 1nag n ARG 39 Ca -0.13 0.83 -0.37 0.00 -1.93 0.00 0.00 57.85 56.25 1nag n ARG 39 Cb 0.63 -5.56 0.05 0.00 -1.16 0.00 0.00 32.46 26.42 1nag n ARG 39 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1nag s ALA 40 N -3.15 2.61 0.63 7.54 0.00 -1.26 -4.90 121.76 123.23 1nag s ALA 40 Ca 0.31 1.24 -0.01 0.00 0.00 0.00 0.00 51.96 53.50 1nag s ALA 40 Cb -0.14 -3.55 0.06 0.00 0.00 0.00 0.00 23.12 19.50 1nag s ALA 40 CO 0.38 -1.43 0.89 0.15 0.00 0.00 0.00 175.76 175.75 1nag s LYS 41 N -3.14 2.24 0.27 0.00 -0.14 -1.26 -5.02 119.74 112.69 1nag s LYS 41 Ca 0.77 -0.73 -0.01 0.00 -1.36 0.00 0.00 55.97 54.64 1nag s LYS 41 Cb -0.38 -2.37 0.39 0.00 -1.68 0.00 0.00 37.83 33.79 1nag s LYS 41 CO 0.42 -1.02 1.79 0.00 -0.76 0.00 0.00 175.35 175.78 1nag h ARG 42 N -0.24 0.76 -3.16 1.68 3.08 -1.96 -3.27 114.38 111.27 1nag h ARG 42 Ca -0.41 -0.19 -0.73 0.00 0.07 0.00 0.00 59.98 58.72 1nag h ARG 42 Cb 1.29 -0.10 -0.09 0.00 0.08 0.00 0.00 29.97 31.15 1nag h ARG 42 CO 0.51 0.75 2.67 0.41 -1.07 0.00 0.00 179.97 183.25 1nag n GLY 43 N -0.73 4.79 2.60 0.04 0.00 -1.26 -4.72 105.19 105.91 1nag n GLY 43 Ca 0.03 -1.90 -0.26 0.00 0.00 0.00 0.00 46.02 43.89 1nag n GLY 43 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1nag s ASN 44 N 1.25 2.55 0.09 1.61 3.84 -1.24 -4.68 114.94 118.36 1nag s ASN 44 Ca 0.51 -0.74 0.09 0.00 0.21 0.00 0.00 52.86 52.94 1nag s ASN 44 Cb 0.15 -0.23 -0.04 0.00 -0.55 0.00 0.00 41.25 40.58 1nag s ASN 44 CO -0.06 -0.37 -0.20 -0.36 -2.79 0.00 0.00 177.10 173.32 1nag s PHE 45 N 2.14 2.48 -0.86 0.43 0.08 -0.29 -4.94 117.98 117.01 1nag s PHE 45 Ca 0.04 -0.30 0.27 0.00 0.12 0.00 0.00 56.93 57.06 1nag s PHE 45 Cb -0.16 -1.36 0.91 0.00 -0.57 0.00 0.00 43.02 41.84 1nag s PHE 45 CO -0.15 0.32 1.75 1.63 -0.10 0.00 0.00 175.22 178.67 1nag n LYS 46 N 1.09 0.13 -3.73 0.44 5.02 -1.26 -0.76 118.16 119.09 1nag n LYS 46 Ca -0.16 0.09 -0.10 0.00 -2.02 0.00 0.00 58.31 56.12 1nag n LYS 46 Cb 0.53 -1.63 -0.06 0.00 -0.02 0.00 0.00 35.03 33.85 1nag n LYS 46 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1nag s SER 47 N -3.69 -0.08 0.28 4.39 1.04 -1.26 -4.87 113.70 109.51 1nag s SER 47 Ca 0.12 -0.47 0.01 0.00 0.48 0.00 0.00 55.95 56.09 1nag s SER 47 Cb 0.16 0.42 0.41 0.00 0.10 0.00 0.00 66.02 67.11 1nag s SER 47 CO 0.59 -0.81 1.76 0.00 0.98 0.00 0.00 173.24 175.77 1nag h ALA 48 N 2.52 1.15 -0.23 5.32 0.00 -1.97 -2.31 119.26 123.74 1nag h ALA 48 Ca -0.34 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.27 1nag h ALA 48 Cb 1.23 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 1nag h ALA 48 CO 0.51 0.54 0.10 0.93 0.00 0.00 0.00 179.25 181.32 1nag h GLU 49 N 0.57 0.35 -0.68 0.00 3.07 -1.98 0.26 114.58 116.16 1nag h GLU 49 Ca 0.10 -0.06 -0.01 0.00 -0.50 0.00 0.00 59.36 58.89 1nag h GLU 49 Cb 0.52 -0.06 -0.03 0.00 -0.84 0.00 0.00 28.75 28.34 1nag h GLU 49 CO 0.03 0.39 0.38 -0.44 -1.40 0.00 0.00 179.01 177.97 1nag h ASP 50 N 0.23 0.84 0.08 1.42 3.32 -1.94 -0.51 116.42 119.87 1nag h ASP 50 Ca 0.08 -0.09 -0.00 0.00 0.02 0.00 0.00 57.03 57.04 1nag h ASP 50 Cb 0.16 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 39.50 1nag h ASP 50 CO -0.01 0.69 -0.04 0.00 -1.72 0.00 0.00 179.24 178.16 1nag h MET 52 N -0.17 0.64 -0.13 0.00 2.86 -0.25 0.50 114.93 118.39 1nag h MET 52 Ca -0.01 -0.17 -0.11 0.00 -2.06 0.00 0.00 59.70 57.34 1nag h MET 52 Cb 0.13 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 31.71 1nag h MET 52 CO 0.02 0.70 -0.41 0.00 1.06 0.00 0.00 176.91 178.28 1nag h ARG 53 N 0.60 0.30 0.06 1.72 3.08 -1.04 0.22 114.38 119.32 1nag h ARG 53 Ca 0.12 -0.14 -0.26 0.00 0.07 0.00 0.00 59.98 59.76 1nag h ARG 53 Cb 0.46 -0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.49 1nag h ARG 53 CO 0.02 0.66 -1.39 1.15 -1.07 0.00 0.00 179.97 179.35 1nag h THR 54 N 0.25 0.94 0.00 2.04 2.02 -1.16 -3.42 112.91 113.59 1nag h THR 54 Ca 0.02 -2.29 0.00 0.00 0.77 0.00 0.00 66.41 64.91 1nag h THR 54 Cb 0.84 2.51 0.00 0.00 -1.74 0.00 0.00 68.15 69.76 1nag h THR 54 CO 0.07 0.58 -1.51 0.00 0.37 0.00 0.00 175.52 175.03