#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a6b s GLU 15 N 0.00 1.36 -0.12 1.61 1.03 -1.26 -4.89 118.70 116.43 1a6b s GLU 15 Ca 0.00 -0.80 -0.07 0.00 0.03 0.00 0.00 54.97 54.13 1a6b s GLU 15 Cb 0.00 0.43 -0.02 0.00 -0.80 0.00 0.00 34.13 33.74 1a6b s GLU 15 CO 0.00 -0.63 -0.13 0.00 -1.33 0.00 0.00 175.26 173.17 1a6b h ARG 16 N 2.00 0.00 -0.53 -4.83 2.47 -2.03 -3.46 114.38 108.00 1a6b h ARG 16 Ca -0.25 0.00 -0.31 0.00 -1.26 0.00 0.00 59.98 58.16 1a6b h ARG 16 Cb 1.23 0.00 -0.21 0.00 -1.65 0.00 0.00 29.97 29.34 1a6b h ARG 16 CO 0.29 0.00 -0.65 -2.13 0.56 0.00 0.00 179.97 178.05 1a6b n ARG 17 N -4.41 0.87 -2.56 0.04 3.00 -1.26 -4.99 116.66 107.36 1a6b n ARG 17 Ca -0.05 -2.21 -0.00 0.00 -0.00 0.00 0.00 57.85 55.58 1a6b n ARG 17 Cb 0.20 -1.31 0.00 0.00 0.00 0.00 0.00 32.46 31.34 1a6b n ARG 17 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.63 175.50 1a6b n ARG 18 N 1.01 -2.99 -1.31 -0.14 0.63 -1.26 -4.83 116.66 107.77 1a6b n ARG 18 Ca 0.12 2.46 -0.38 0.00 -0.92 0.00 0.00 57.85 59.13 1a6b n ARG 18 Cb 0.64 -4.82 -0.03 0.00 0.45 0.00 0.00 32.46 28.71 1a6b n ARG 18 CO 0.00 0.00 0.00 0.43 -2.51 0.00 0.00 177.63 175.55 1a6b n SER 19 N 0.56 7.88 -1.10 6.15 7.64 -1.26 -4.85 113.62 128.64 1a6b n SER 19 Ca 0.01 -2.58 0.13 0.00 1.01 0.00 0.00 58.87 57.44 1a6b n SER 19 Cb 0.02 -1.53 -0.07 0.00 -1.01 0.00 0.00 64.21 61.62 1a6b n SER 19 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1a6b n GLN 20 N 3.94 -2.53 -0.07 1.43 6.02 -1.26 -4.94 117.38 119.97 1a6b n GLN 20 Ca 0.73 2.05 -0.06 0.00 -0.01 0.00 0.00 57.00 59.71 1a6b n GLN 20 Cb 0.24 -2.97 -0.02 0.00 1.02 0.00 0.00 30.24 28.51 1a6b n GLN 20 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1a6b n LEU 21 N -3.81 1.73 -3.71 1.08 4.32 -1.26 -5.09 117.00 110.26 1a6b n LEU 21 Ca -0.07 0.47 -0.06 0.00 -0.02 0.00 0.00 56.01 56.33 1a6b n LEU 21 Cb 0.52 -0.79 -0.02 0.00 -1.62 0.00 0.00 43.42 41.52 1a6b n LEU 21 CO 0.03 -0.39 0.61 -0.62 -1.22 0.00 0.00 177.39 175.80 1a6b s ASP 22 N -5.67 -0.27 -0.20 -1.43 -1.08 -1.26 -5.05 116.67 101.71 1a6b s ASP 22 Ca -0.20 -0.37 0.16 0.00 -0.52 0.00 0.00 52.55 51.62 1a6b s ASP 22 Cb 0.03 0.56 -0.24 0.00 -1.46 0.00 0.00 42.92 41.81 1a6b s ASP 22 CO 0.30 -1.00 0.03 0.54 0.52 0.00 0.00 175.17 175.56 1a6b n ARG 23 N -0.43 0.72 -0.00 4.34 5.12 -1.26 -4.69 116.66 120.46 1a6b n ARG 23 Ca -0.07 0.01 -0.01 0.00 -1.93 0.00 0.00 57.85 55.85 1a6b n ARG 23 Cb 0.61 -1.51 -0.01 0.00 -1.16 0.00 0.00 32.46 30.39 1a6b n ARG 23 CO 0.00 0.00 0.00 -0.44 -1.93 0.00 0.00 177.63 175.26 1a6b h ASP 24 N 0.00 -0.07 -3.17 0.55 5.19 -1.99 -3.49 116.42 113.45 1a6b h ASP 24 Ca -0.55 0.00 -0.47 0.00 -0.62 0.00 0.00 57.03 55.40 1a6b h ASP 24 Cb 2.19 0.02 0.04 0.00 0.18 0.00 0.00 39.33 41.76 1a6b h ASP 24 CO 0.02 0.26 0.03 0.00 -3.12 0.00 0.00 179.24 176.42 1a6b s GLN 25 N -1.68 3.06 0.44 3.56 -2.07 -1.26 -4.81 119.66 116.90 1a6b s GLN 25 Ca -0.01 -0.24 -0.26 0.00 -1.82 0.00 0.00 55.36 53.04 1a6b s GLN 25 Cb 0.00 -2.43 -0.08 0.00 -1.09 0.00 0.00 33.01 29.40 1a6b s GLN 25 CO 0.03 -0.42 1.41 0.00 -1.32 0.00 0.00 175.29 175.00 1a6b n ALA 27 N -0.11 3.06 0.12 0.00 0.00 -1.26 -1.92 120.51 120.41 1a6b n ALA 27 Ca 0.05 -0.66 0.00 0.00 0.00 0.00 0.00 53.44 52.82 1a6b n ALA 27 Cb 0.42 -1.07 0.00 0.00 0.00 0.00 0.00 19.45 18.80 1a6b n ALA 27 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 1a6b n TYR 28 N 0.14 -2.57 -0.09 0.00 4.19 -1.26 -4.94 117.16 112.62 1a6b n TYR 28 Ca 0.11 0.60 -0.10 0.00 3.31 0.00 0.00 57.90 61.82 1a6b n TYR 28 Cb 0.63 1.40 -0.14 0.00 0.49 0.00 0.00 39.34 41.71 1a6b n TYR 28 CO 0.00 0.00 0.00 0.00 0.91 0.00 0.00 176.86 177.77 1a6b n LYS 30 N -2.74 -0.98 0.00 0.00 0.00 -0.81 -4.95 118.16 108.68 1a6b n LYS 30 Ca -0.31 0.17 0.00 0.00 -0.00 0.00 0.00 58.31 58.17 1a6b n LYS 30 Cb 1.08 -3.30 0.00 0.00 -0.00 0.00 0.00 35.03 32.81 1a6b n LYS 30 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.40 175.49 1a6b n GLU 31 N -4.72 1.50 0.06 -1.58 2.13 -1.26 -4.81 120.64 111.96 1a6b n GLU 31 Ca -0.19 0.00 -0.08 0.00 0.66 0.00 0.00 57.16 57.54 1a6b n GLU 31 Cb 0.62 0.00 -0.06 0.00 0.27 0.00 0.00 31.44 32.27 1a6b n GLU 31 CO 0.00 0.00 0.00 0.87 -0.41 0.00 0.00 177.13 177.59 1a6b h LYS 32 N 0.00 -0.24 -0.22 5.31 6.56 -2.02 -3.45 116.57 122.52 1a6b h LYS 32 Ca 0.00 0.02 -0.25 0.00 -1.06 0.00 0.00 60.65 59.35 1a6b h LYS 32 Cb 0.00 0.05 -0.20 0.00 -0.57 0.00 0.00 32.23 31.52 1a6b h LYS 32 CO 0.00 0.09 -0.52 0.41 -2.06 0.00 0.00 179.45 177.37 1a6b n GLY 33 N 0.84 1.34 3.41 3.86 0.00 -1.26 -5.07 105.19 108.31 1a6b n GLY 33 Ca -0.06 -0.34 -0.13 0.00 0.00 0.00 0.00 46.02 45.48 1a6b n GLY 33 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1a6b s HIS 34 N -0.42 1.02 0.26 1.61 -3.43 -1.26 -5.13 115.29 107.94 1a6b s HIS 34 Ca 0.23 -1.23 0.03 0.00 -0.80 0.00 0.00 55.06 53.29 1a6b s HIS 34 Cb 0.40 -0.23 -0.05 0.00 -1.43 0.00 0.00 32.58 31.27 1a6b s HIS 34 CO -0.06 -0.94 0.03 -0.46 -2.00 0.00 0.00 174.74 171.31 1a6b s TRP 35 N -3.62 1.64 0.43 0.38 -0.00 -1.26 -2.76 118.94 113.74 1a6b s TRP 35 Ca 0.32 -0.99 0.11 0.00 -0.00 0.00 0.00 56.10 55.55 1a6b s TRP 35 Cb 0.02 -0.98 0.96 0.00 -0.00 0.00 0.00 33.47 33.47 1a6b s TRP 35 CO 0.17 -0.10 2.01 0.00 -0.00 0.00 0.00 176.95 179.03 1a6b h ALA 36 N 2.38 1.90 -0.32 5.86 0.00 -1.89 0.11 119.26 127.30 1a6b h ALA 36 Ca -0.39 -0.02 0.07 0.00 0.00 0.00 0.00 54.91 54.58 1a6b h ALA 36 Cb 1.23 -0.11 -0.08 0.00 0.00 0.00 0.00 17.79 18.83 1a6b h ALA 36 CO 0.65 0.01 -0.21 -0.22 0.00 0.00 0.00 179.25 179.48 1a6b h LYS 37 N 0.46 -0.17 -0.31 0.00 3.11 -1.99 -3.07 116.57 114.60 1a6b h LYS 37 Ca 0.23 0.01 0.00 0.00 -2.81 0.00 0.00 60.65 58.08 1a6b h LYS 37 Cb 0.31 0.04 0.00 0.00 -1.00 0.00 0.00 32.23 31.58 1a6b h LYS 37 CO -0.06 -0.11 0.00 -3.47 -2.81 0.00 0.00 179.45 172.99 1a6b n ASP 38 N -5.37 3.12 -4.70 4.20 2.03 0.07 -5.02 116.55 110.88 1a6b n ASP 38 Ca 0.01 -1.95 -0.42 0.00 0.52 0.00 0.00 54.79 52.95 1a6b n ASP 38 Cb 0.28 -0.20 -0.03 0.00 -0.72 0.00 0.00 41.12 40.46 1a6b n ASP 38 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1a6b h PRO 40 N 8.02 0.13 0.00 0.00 0.13 -1.93 -3.32 132.00 135.04 1a6b h PRO 40 Ca -0.44 -0.18 -0.08 0.00 -0.87 0.00 0.00 66.00 64.43 1a6b h PRO 40 Cb 1.21 0.06 -0.01 0.00 0.13 0.00 0.00 31.00 32.39 1a6b h PRO 40 CO 0.94 1.01 -0.37 0.87 -0.23 0.00 0.00 178.00 180.22 1a6b h LYS 41 N 0.05 0.00 -6.86 0.86 1.57 -1.99 -3.45 116.57 106.76 1a6b h LYS 41 Ca -0.05 0.00 -0.50 0.00 -1.87 0.00 0.00 60.65 58.23 1a6b h LYS 41 Cb 1.69 0.00 0.02 0.00 0.08 0.00 0.00 32.23 34.02 1a6b h LYS 41 CO 0.15 0.37 0.46 0.21 -0.57 0.00 0.00 179.45 180.07 1a6b s LYS 42 N -3.08 4.47 -0.87 3.15 2.36 -1.25 -4.90 119.74 119.63 1a6b s LYS 42 Ca 0.04 1.72 -0.30 0.00 -2.55 0.00 0.00 55.97 54.89 1a6b s LYS 42 Cb 0.07 -2.98 -0.20 0.00 -1.05 0.00 0.00 37.83 33.67 1a6b s LYS 42 CO 0.72 0.08 2.42 -2.30 1.55 0.00 0.00 175.35 177.83 1a6b n PRO 43 N 0.78 0.00 -2.00 4.03 -0.02 -1.26 -4.79 135.00 131.74 1a6b n PRO 43 Ca 0.01 0.00 -0.42 0.00 -2.02 0.00 0.00 63.50 61.07 1a6b n PRO 43 Cb 0.46 -1.38 0.00 0.00 -0.02 0.00 0.00 33.50 32.56 1a6b n PRO 43 CO 0.00 0.00 0.00 -2.13 1.98 0.00 0.00 175.50 175.35 1a6b n ARG 44 N 7.71 3.04 -1.69 -0.52 0.63 -1.26 -4.27 116.66 120.30 1a6b n ARG 44 Ca 0.60 -2.89 -0.00 0.00 -0.92 0.00 0.00 57.85 54.63 1a6b n ARG 44 Cb 0.02 -3.26 0.00 0.00 0.45 0.00 0.00 32.46 29.67 1a6b n ARG 44 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1a6b n GLY 45 N 4.10 -2.34 3.53 5.14 0.00 -1.26 -4.88 105.19 109.46 1a6b n GLY 45 Ca 0.49 -0.07 -0.39 0.00 0.00 0.00 0.00 46.02 46.05 1a6b n GLY 45 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1a6b n PRO 46 N -0.07 0.83 0.12 1.61 -0.02 -1.26 -4.52 135.00 131.69 1a6b n PRO 46 Ca 0.01 0.06 0.00 0.00 -2.02 0.00 0.00 63.50 61.55 1a6b n PRO 46 Cb 0.02 -2.82 0.00 0.00 -0.02 0.00 0.00 33.50 30.68 1a6b n PRO 46 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1a6b n ARG 47 N 8.77 0.00 -2.39 -0.52 1.74 -1.26 -5.11 116.66 117.89 1a6b n ARG 47 Ca 0.45 0.00 -0.01 0.00 -0.77 0.00 0.00 57.85 57.52 1a6b n ARG 47 Cb 0.37 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.81 1a6b n ARG 47 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1a6b n GLY 48 N 1.12 -0.88 2.39 -0.13 0.00 -1.26 -4.90 105.19 101.53 1a6b n GLY 48 Ca 0.00 0.26 -0.37 0.00 0.00 0.00 0.00 46.02 45.91 1a6b n GLY 48 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1a6b n PRO 49 N -1.30 3.96 -1.18 1.61 -0.04 -1.26 -4.97 135.00 131.81 1a6b n PRO 49 Ca 0.01 -2.78 -0.31 0.00 -0.04 0.00 0.00 63.50 60.38 1a6b n PRO 49 Cb 0.47 -2.62 0.10 0.00 -0.04 0.00 0.00 33.50 31.42 1a6b n PRO 49 CO 0.00 0.00 0.00 -0.98 -0.04 0.00 0.00 175.50 174.48 1a6b s ARG 50 N 0.12 2.01 0.47 0.54 1.70 -1.26 -4.91 118.95 117.63 1a6b s ARG 50 Ca 0.61 1.31 0.26 0.00 -0.47 0.00 0.00 55.73 57.44 1a6b s ARG 50 Cb 0.21 -1.86 1.31 0.00 -0.57 0.00 0.00 34.95 34.04 1a6b s ARG 50 CO -0.09 -1.85 1.82 -1.35 -1.08 0.00 0.00 175.30 172.75 1a6b h PRO 51 N -1.16 0.19 -4.24 3.89 0.11 -2.06 -3.14 132.00 125.60 1a6b h PRO 51 Ca -0.44 -0.01 -0.68 0.00 0.11 0.00 0.00 66.00 64.98 1a6b h PRO 51 Cb 1.24 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.30 1a6b h PRO 51 CO 0.49 0.13 2.78 1.04 -0.21 0.00 0.00 178.00 182.22 1a6b n GLN 52 N -4.41 2.32 0.00 1.05 6.02 -1.26 -5.34 117.38 115.76 1a6b n GLN 52 Ca 0.23 -2.32 0.10 0.00 -0.01 0.00 0.00 57.00 55.00 1a6b n GLN 52 Cb 0.97 -3.15 0.62 0.00 1.02 0.00 0.00 30.24 29.69 1a6b n GLN 52 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30