#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2fif n LEU 18 N 0.00 0.30 -3.65 2.23 0.00 -1.26 -4.84 117.00 109.78 2fif n LEU 18 Ca 0.00 0.28 -0.10 0.00 0.00 0.00 0.00 56.01 56.19 2fif n LEU 18 Cb 0.00 -0.42 -0.03 0.00 0.00 0.00 0.00 43.42 42.97 2fif n LEU 18 CO 0.00 -0.42 0.34 0.00 0.00 0.00 0.00 177.39 177.31 2fif h LYS 20 N 2.11 0.03 0.00 0.00 3.64 -1.40 -3.35 116.57 117.60 2fif h LYS 20 Ca -0.29 -0.05 -0.09 0.00 -1.27 0.00 0.00 60.65 58.96 2fif h LYS 20 Cb 1.27 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 33.10 2fif h LYS 20 CO 0.35 1.02 -0.42 0.87 -2.27 0.00 0.00 179.45 179.00 2fif h LYS 21 N -0.92 0.00 -4.25 1.90 1.79 -1.97 -3.48 116.57 109.63 2fif h LYS 21 Ca -0.22 0.00 -0.20 0.00 -2.18 0.00 0.00 60.65 58.06 2fif h LYS 21 Cb 1.25 0.00 0.11 0.00 -1.58 0.00 0.00 32.23 32.00 2fif h LYS 21 CO -0.11 0.42 -0.48 0.41 -1.08 0.00 0.00 179.45 178.62 2fif n GLY 22 N 0.44 -0.08 0.99 3.86 0.00 -1.26 -4.95 105.19 104.19 2fif n GLY 22 Ca 0.00 -0.08 0.10 0.00 0.00 0.00 0.00 46.02 46.04 2fif n GLY 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2fif n GLY 24 N 1.39 3.21 3.75 0.00 0.00 -1.26 -5.09 105.19 107.19 2fif n GLY 24 Ca 0.19 -1.03 -0.30 0.00 0.00 0.00 0.00 46.02 44.87 2fif n GLY 24 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2fif s TYR 25 N -0.11 0.67 0.23 1.61 2.02 -1.26 -5.03 117.35 115.48 2fif s TYR 25 Ca 0.00 0.30 0.06 0.00 -0.37 0.00 0.00 57.07 57.06 2fif s TYR 25 Cb 0.00 -3.87 -0.03 0.00 -0.40 0.00 0.00 41.96 37.66 2fif s TYR 25 CO 0.00 -3.50 0.25 0.71 -1.57 0.00 0.00 175.55 171.44 2fif s TYR 26 N -3.48 3.26 0.09 2.71 2.02 -1.26 -4.42 117.35 116.27 2fif s TYR 26 Ca 0.74 -0.05 0.09 0.00 -0.37 0.00 0.00 57.07 57.49 2fif s TYR 26 Cb -0.05 -1.49 -0.04 0.00 -0.40 0.00 0.00 41.96 39.98 2fif s TYR 26 CO 0.55 0.49 -0.22 0.20 -1.57 0.00 0.00 175.55 175.01 2fif s GLY 27 N -3.74 1.59 0.25 0.71 0.00 -0.75 -3.95 107.32 101.42 2fif s GLY 27 Ca 0.33 -1.33 -0.30 0.00 0.00 0.00 0.00 44.72 43.43 2fif s GLY 27 CO 0.26 -1.27 0.95 -1.31 0.00 0.00 0.00 173.10 171.74 2fif s ASN 28 N -1.80 7.61 0.00 1.64 -0.87 -0.92 -4.81 114.94 115.78 2fif s ASN 28 Ca 0.15 1.97 0.08 0.00 -1.57 0.00 0.00 52.86 53.49 2fif s ASN 28 Cb -0.10 -2.61 0.41 0.00 -0.02 0.00 0.00 41.25 38.93 2fif s ASN 28 CO 0.07 0.13 1.08 -0.81 -2.57 0.00 0.00 177.10 174.99 2fif n PRO 29 N 1.43 0.14 -0.06 -0.60 -0.04 -1.26 -1.01 135.00 133.60 2fif n PRO 29 Ca -0.02 0.17 -0.05 0.00 -0.04 0.00 0.00 63.50 63.57 2fif n PRO 29 Cb 0.47 -1.50 -0.15 0.00 -0.04 0.00 0.00 33.50 32.28 2fif n PRO 29 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2fif n ALA 30 N -1.23 1.81 -1.66 0.55 0.00 -1.26 -4.41 120.51 114.31 2fif n ALA 30 Ca 0.04 -1.03 -0.32 0.00 0.00 0.00 0.00 53.44 52.13 2fif n ALA 30 Cb 0.06 -0.44 0.05 0.00 0.00 0.00 0.00 19.45 19.12 2fif n ALA 30 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.50 178.41 2fif n TRP 31 N -2.70 3.08 -2.57 0.00 8.01 -1.03 -4.91 117.44 117.33 2fif n TRP 31 Ca -0.23 -2.73 -0.14 0.00 -1.31 0.00 0.00 57.50 53.08 2fif n TRP 31 Cb 1.00 -1.03 -0.00 0.00 -2.01 0.00 0.00 31.31 29.26 2fif n TRP 31 CO 0.00 0.00 0.00 0.94 -1.01 0.00 0.00 177.69 177.62 2fif n GLN 32 N -0.79 -2.45 -0.73 -0.99 -0.06 -1.23 -1.17 117.38 109.96 2fif n GLN 32 Ca 0.55 0.62 0.00 0.00 -2.00 0.00 0.00 57.00 56.17 2fif n GLN 32 Cb 0.69 -5.24 0.00 0.00 -4.06 0.00 0.00 30.24 21.63 2fif n GLN 32 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 2fif n GLY 33 N -0.89 0.65 3.95 1.69 0.00 -0.18 -4.89 105.19 105.52 2fif n GLY 33 Ca -0.13 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.64 2fif n GLY 33 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2fif s PHE 34 N -2.11 3.47 0.71 1.61 0.08 -0.32 -0.97 117.98 120.45 2fif s PHE 34 Ca 0.00 0.12 -0.07 0.00 0.12 0.00 0.00 56.93 57.10 2fif s PHE 34 Cb 0.00 -1.68 0.06 0.00 -0.57 0.00 0.00 43.02 40.83 2fif s PHE 34 CO 0.00 0.45 1.02 0.00 -0.10 0.00 0.00 175.22 176.59 2fif h SER 36 N -0.62 -0.20 0.62 0.00 4.64 -1.99 0.47 113.55 116.47 2fif h SER 36 Ca -0.45 0.17 -0.28 0.00 -0.47 0.00 0.00 61.79 60.76 2fif h SER 36 Cb 1.32 0.27 0.00 0.00 -0.31 0.00 0.00 62.40 63.68 2fif h SER 36 CO 0.61 -0.11 -1.28 0.11 -0.87 0.00 0.00 176.83 175.28 2fif h LYS 37 N 0.16 0.25 -0.11 4.77 1.79 -1.98 -2.96 116.57 118.49 2fif h LYS 37 Ca 0.39 -0.43 -0.16 0.00 -2.18 0.00 0.00 60.65 58.27 2fif h LYS 37 Cb 0.67 0.16 -0.01 0.00 -1.58 0.00 0.00 32.23 31.47 2fif h LYS 37 CO -0.57 1.19 -0.61 0.00 -1.08 0.00 0.00 179.45 178.38 2fif h TRP 39 N 0.29 0.82 -0.75 0.00 2.91 -0.98 0.04 115.95 118.28 2fif h TRP 39 Ca -0.01 -0.08 0.11 0.00 1.13 0.00 0.00 58.89 60.05 2fif h TRP 39 Cb 1.14 -0.24 -0.08 0.00 -0.51 0.00 0.00 29.16 29.47 2fif h TRP 39 CO 0.03 0.70 0.36 0.00 -1.03 0.00 0.00 178.44 178.51 2fif h ARG 40 N 0.71 0.56 -0.21 2.65 3.08 -1.52 0.67 114.38 120.32 2fif h ARG 40 Ca 0.17 -0.03 -0.03 0.00 0.07 0.00 0.00 59.98 60.16 2fif h ARG 40 Cb 0.26 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.17 2fif h ARG 40 CO -0.01 0.37 0.02 1.49 -1.07 0.00 0.00 179.97 180.77 2fif h GLU 41 N 0.58 0.35 -0.27 0.04 4.57 -1.40 -2.99 114.58 115.46 2fif h GLU 41 Ca 0.39 -0.10 -0.18 0.00 -1.18 0.00 0.00 59.36 58.28 2fif h GLU 41 Cb 0.48 -0.04 -0.00 0.00 -0.16 0.00 0.00 28.75 29.03 2fif h GLU 41 CO -0.31 0.53 -0.54 0.93 -1.18 0.00 0.00 179.01 178.43 2fif h GLU 42 N 0.13 0.80 -0.37 1.92 4.39 -0.29 -2.71 114.58 118.45 2fif h GLU 42 Ca 0.06 -0.51 -0.04 0.00 0.34 0.00 0.00 59.36 59.21 2fif h GLU 42 Cb 0.36 0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 29.05 2fif h GLU 42 CO 0.01 1.14 0.06 -0.92 -1.16 0.00 0.00 179.01 178.14 2fif h TYR 43 N 0.62 0.66 -0.47 4.33 5.03 0.24 0.21 116.97 127.58 2fif h TYR 43 Ca 0.01 -0.09 -0.03 0.00 2.58 0.00 0.00 58.73 61.21 2fif h TYR 43 Cb 1.14 -0.18 -0.02 0.00 1.55 0.00 0.00 36.73 39.21 2fif h TYR 43 CO 0.07 0.66 0.19 1.25 -1.32 0.00 0.00 178.16 179.01 2fif h HIS 44 N 0.46 0.67 -0.26 -3.82 2.76 -1.56 -0.25 115.15 113.15 2fif h HIS 44 Ca 0.11 -0.03 -0.16 0.00 -2.20 0.00 0.00 60.37 58.09 2fif h HIS 44 Cb 0.36 -0.21 0.00 0.00 1.55 0.00 0.00 27.41 29.11 2fif h HIS 44 CO 0.02 0.53 -0.48 0.87 -1.30 0.00 0.00 177.93 177.57 2fif h LYS 45 N 0.67 0.78 -0.59 5.26 1.57 -1.12 -2.28 116.57 120.87 2fif h LYS 45 Ca 0.16 -0.50 -0.10 0.00 -1.87 0.00 0.00 60.65 58.35 2fif h LYS 45 Cb 0.14 0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.48 2fif h LYS 45 CO -0.02 1.12 -0.02 0.00 -0.57 0.00 0.00 179.45 179.97 2fif h ALA 46 N 0.65 0.86 -0.42 3.86 0.00 -0.30 -1.88 119.26 122.04 2fif h ALA 46 Ca 0.01 -0.32 -0.09 0.00 0.00 0.00 0.00 54.91 54.52 2fif h ALA 46 Cb 1.08 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.64 2fif h ALA 46 CO 0.11 0.66 -0.11 -0.09 0.00 0.00 0.00 179.25 179.83 2fif h ARG 47 N 0.94 0.74 -0.16 0.00 2.43 -1.06 -1.15 114.38 116.13 2fif h ARG 47 Ca 0.17 -0.24 0.00 0.00 -0.81 0.00 0.00 59.98 59.10 2fif h ARG 47 Cb 0.57 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 30.04 2fif h ARG 47 CO 0.03 0.83 0.10 1.96 -1.51 0.00 0.00 179.97 181.38 2fif h GLN 48 N 0.68 0.20 -0.23 0.20 7.50 -1.27 -2.02 115.11 120.16 2fif h GLN 48 Ca 0.12 -0.01 0.03 0.00 0.50 0.00 0.00 58.65 59.29 2fif h GLN 48 Cb 0.57 -0.04 -0.03 0.00 0.05 0.00 0.00 27.48 28.02 2fif h GLN 48 CO 0.04 0.13 0.03 -0.22 -1.50 0.00 0.00 178.83 177.31 2fif h LYS 49 N 0.20 0.12 -0.64 1.46 3.64 -0.98 -1.63 116.57 118.74 2fif h LYS 49 Ca 0.06 -0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.41 2fif h LYS 49 Cb -0.01 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 31.76 2fif h LYS 49 CO -0.03 0.08 0.30 -0.56 -2.27 0.00 0.00 179.45 176.97 2fif h GLN 50 N 0.12 0.92 -0.59 1.90 -0.00 -1.17 -0.21 115.11 116.08 2fif h GLN 50 Ca 0.11 -0.14 -0.01 0.00 -0.00 0.00 0.00 58.65 58.61 2fif h GLN 50 Cb 0.11 -0.16 -0.03 0.00 -0.00 0.00 0.00 27.48 27.40 2fif h GLN 50 CO -0.15 0.75 0.34 0.82 -0.00 0.00 0.00 178.83 180.59 2fif h ILE 51 N 0.88 1.19 -0.66 1.86 2.04 -1.16 0.29 117.51 121.95 2fif h ILE 51 Ca 0.22 -0.45 -0.08 0.00 1.00 0.00 0.00 64.86 65.55 2fif h ILE 51 Cb 0.14 0.40 -0.03 0.00 -0.74 0.00 0.00 36.82 36.59 2fif h ILE 51 CO -0.03 0.20 0.09 -0.61 0.00 0.00 0.00 178.15 177.80 2fif h GLN 52 N 0.80 1.10 -0.15 2.37 5.75 -1.10 -1.55 115.11 122.33 2fif h GLN 52 Ca 0.21 -0.30 -0.16 0.00 -0.15 0.00 0.00 58.65 58.25 2fif h GLN 52 Cb 0.02 -0.13 -0.01 0.00 1.07 0.00 0.00 27.48 28.43 2fif h GLN 52 CO -0.04 1.01 -0.59 0.93 -2.65 0.00 0.00 178.83 177.50 2fif h GLU 53 N 1.02 0.48 -0.36 1.69 5.08 -0.58 -2.42 114.58 119.49 2fif h GLU 53 Ca 0.20 -0.32 -0.13 0.00 -1.00 0.00 0.00 59.36 58.11 2fif h GLU 53 Cb 0.46 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.74 2fif h GLU 53 CO 0.02 0.92 -0.29 -0.44 -1.00 0.00 0.00 179.01 178.22 2fif h ASP 54 N 0.36 0.79 -0.67 1.42 3.32 -0.36 -1.95 116.42 119.32 2fif h ASP 54 Ca -0.00 -0.32 -0.07 0.00 0.02 0.00 0.00 57.03 56.66 2fif h ASP 54 Cb 1.13 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 40.43 2fif h ASP 54 CO 0.11 1.03 0.14 -0.25 -1.72 0.00 0.00 179.24 178.54 2fif h TRP 55 N 0.65 1.17 -0.44 4.55 7.01 -1.20 0.86 115.95 128.55 2fif h TRP 55 Ca 0.08 -0.15 -0.09 0.00 2.11 0.00 0.00 58.89 60.83 2fif h TRP 55 Cb 0.82 -0.33 -0.02 0.00 -2.10 0.00 0.00 29.16 27.54 2fif h TRP 55 CO 0.04 0.96 -0.11 0.93 -2.79 0.00 0.00 178.44 177.48 2fif h GLU 56 N 1.04 0.79 -0.29 2.65 5.08 -1.35 0.31 114.58 122.81 2fif h GLU 56 Ca 0.21 -0.26 -0.05 0.00 -1.00 0.00 0.00 59.36 58.26 2fif h GLU 56 Cb 0.41 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.58 2fif h GLU 56 CO 0.01 0.86 -0.02 1.25 -1.00 0.00 0.00 179.01 180.11 2fif h LEU 57 N 0.71 0.53 -0.82 1.33 6.46 -1.05 -0.24 115.31 122.23 2fif h LEU 57 Ca 0.12 -0.33 -0.01 0.00 -0.12 0.00 0.00 57.88 57.54 2fif h LEU 57 Cb 0.59 -0.14 -0.04 0.00 -0.73 0.00 0.00 40.66 40.34 2fif h LEU 57 CO 0.04 0.73 0.46 0.00 -0.62 0.00 0.00 178.44 179.04 2fif h ALA 58 N 0.82 1.05 -0.36 1.25 0.00 -0.66 0.16 119.26 121.52 2fif h ALA 58 Ca 0.08 -0.12 0.02 0.00 0.00 0.00 0.00 54.91 54.89 2fif h ALA 58 Cb 0.47 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 2fif h ALA 58 CO 0.02 0.55 0.20 0.93 0.00 0.00 0.00 179.25 180.95 2fif h GLU 59 N 1.13 0.41 -0.03 0.00 4.39 -0.84 0.08 114.58 119.72 2fif h GLU 59 Ca 0.29 -0.02 -0.05 0.00 0.34 0.00 0.00 59.36 59.92 2fif h GLU 59 Cb 0.02 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 28.57 2fif h GLU 59 CO -0.05 0.27 -0.19 -0.09 -1.16 0.00 0.00 179.01 177.79 2fif h ARG 60 N 0.42 0.05 0.05 2.33 2.43 -0.30 -2.28 114.38 117.08 2fif h ARG 60 Ca 0.14 -0.01 -0.26 0.00 -0.81 0.00 0.00 59.98 59.04 2fif h ARG 60 Cb 0.01 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.53 2fif h ARG 60 CO -0.07 0.25 -1.30 -0.07 -1.51 0.00 0.00 179.97 177.26 2fif h LEU 61 N 0.05 0.18 -0.49 3.80 -0.00 -0.42 -3.00 115.31 115.43 2fif h LEU 61 Ca 0.01 -0.23 -0.17 0.00 -0.00 0.00 0.00 57.88 57.49 2fif h LEU 61 Cb 0.37 -0.06 -0.01 0.00 -0.00 0.00 0.00 40.66 40.97 2fif h LEU 61 CO 0.03 1.18 -0.70 -0.61 -0.00 0.00 0.00 178.44 178.34 2fif h GLN 62 N 0.03 0.29 -0.31 1.13 5.75 -0.75 -0.13 115.11 121.12 2fif h GLN 62 Ca -0.14 -0.24 -0.04 0.00 -0.15 0.00 0.00 58.65 58.08 2fif h GLN 62 Cb 1.91 0.05 -0.01 0.00 1.07 0.00 0.00 27.48 30.50 2fif h GLN 62 CO 0.14 0.88 0.02 -0.09 -2.65 0.00 0.00 178.83 177.14 2fif h ARG 63 N 0.20 0.54 -0.71 1.69 2.43 -1.54 -2.21 114.38 114.78 2fif h ARG 63 Ca -0.02 -0.16 0.03 0.00 -0.81 0.00 0.00 59.98 59.02 2fif h ARG 63 Cb 1.26 -0.06 -0.04 0.00 -0.42 0.00 0.00 29.97 30.71 2fif h ARG 63 CO 0.11 0.66 0.47 1.49 -1.51 0.00 0.00 179.97 181.19 2fif h GLU 64 N 0.35 0.86 -0.33 0.20 4.81 -1.40 -1.97 114.58 117.10 2fif h GLU 64 Ca 0.09 -0.05 -0.11 0.00 -0.13 0.00 0.00 59.36 59.16 2fif h GLU 64 Cb 0.40 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 29.58 2fif h GLU 64 CO 0.01 0.57 -0.22 1.49 -0.73 0.00 0.00 179.01 180.13 2fif h GLU 65 N 0.88 0.73 -0.01 1.92 4.57 -0.86 -2.69 114.58 119.12 2fif h GLU 65 Ca 0.28 -0.34 -0.14 0.00 -1.18 0.00 0.00 59.36 57.97 2fif h GLU 65 Cb 0.02 -0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 28.58 2fif h GLU 65 CO -0.07 0.96 -0.65 0.93 -1.18 0.00 0.00 179.01 178.99 2fif h GLU 66 N 0.50 0.06 -0.01 1.92 5.08 -1.19 -2.21 114.58 118.72 2fif h GLU 66 Ca 0.07 -0.05 -0.13 0.00 -1.00 0.00 0.00 59.36 58.25 2fif h GLU 66 Cb 0.77 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.01 2fif h GLU 66 CO 0.06 0.69 -0.60 0.93 -1.00 0.00 0.00 179.01 179.09 2fif h GLU 67 N 0.04 0.04 -0.05 2.33 5.08 -1.37 -1.56 114.58 119.09 2fif h GLU 67 Ca -0.01 -0.03 -0.18 0.00 -1.00 0.00 0.00 59.36 58.15 2fif h GLU 67 Cb 1.16 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.40 2fif h GLU 67 CO 0.09 0.63 -0.73 0.00 -1.00 0.00 0.00 179.01 178.00 2fif h ALA 68 N 1.36 0.65 -0.03 3.43 0.00 -1.32 -3.19 119.26 120.16 2fif h ALA 68 Ca -0.01 -0.62 -0.15 0.00 0.00 0.00 0.00 54.91 54.14 2fif h ALA 68 Cb 1.07 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.77 2fif h ALA 68 CO 0.08 0.79 -0.66 0.35 0.00 0.00 0.00 179.25 179.80 2fif h PHE 69 N 0.21 0.19 -0.71 0.00 3.57 -1.25 -3.40 116.94 115.54 2fif h PHE 69 Ca -0.03 -0.08 -0.40 0.00 3.53 0.00 0.00 57.97 60.99 2fif h PHE 69 Cb 1.30 -0.03 -0.06 0.00 2.79 0.00 0.00 35.95 39.95 2fif h PHE 69 CO 0.03 0.76 1.16 0.00 -2.23 0.00 0.00 178.31 178.04 2fif s ALA 70 N -3.59 2.09 0.00 2.41 0.00 -0.60 -3.89 121.76 118.18 2fif s ALA 70 Ca -0.03 -2.03 0.00 0.00 0.00 0.00 0.00 51.96 49.90 2fif s ALA 70 Cb 0.12 -4.61 0.00 0.00 0.00 0.00 0.00 23.12 18.63 2fif s ALA 70 CO 0.79 -4.57 0.00 -1.13 0.00 0.00 0.00 175.76 170.85 2fif n SER 71 N 12.59 0.00 0.00 0.00 3.41 -1.26 -4.96 113.62 123.40 2fif n SER 71 Ca 0.42 0.00 0.12 0.00 -0.26 0.00 0.00 58.87 59.15 2fif n SER 71 Cb 0.47 0.00 0.73 0.00 -0.26 0.00 0.00 64.21 65.15 2fif n SER 71 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34