#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fif s SER 3 N 0.00 7.23 0.56 4.04 0.01 -1.26 -4.59 113.70 119.68 3fif s SER 3 Ca 0.00 1.92 -0.08 0.00 1.31 0.00 0.00 55.95 59.10 3fif s SER 3 Cb 0.00 -2.58 -0.03 0.00 0.21 0.00 0.00 66.02 63.61 3fif s SER 3 CO 0.00 -0.33 0.91 -0.62 0.41 0.00 0.00 173.24 173.61 3fif s ASP 4 N 0.71 6.20 0.03 2.44 -1.08 -0.34 -4.63 116.67 119.99 3fif s ASP 4 Ca 0.54 1.15 0.03 0.00 -0.52 0.00 0.00 52.55 53.75 3fif s ASP 4 Cb -0.27 -2.32 -0.02 0.00 -1.46 0.00 0.00 42.92 38.86 3fif s ASP 4 CO 0.30 -0.75 -0.10 -0.31 0.52 0.00 0.00 175.17 174.83 3fif s TYR 5 N -2.97 0.84 0.00 -5.34 1.51 -1.26 -2.04 117.35 108.08 3fif s TYR 5 Ca 0.51 -0.32 0.00 0.00 -1.01 0.00 0.00 57.07 56.26 3fif s TYR 5 Cb -0.11 -0.51 0.00 0.00 -0.11 0.00 0.00 41.96 41.24 3fif s TYR 5 CO 0.49 -0.02 0.00 0.28 -1.11 0.00 0.00 175.55 175.20 3fif n VAL 6 N 2.10 0.00 -3.65 0.71 0.31 -0.62 -2.36 118.33 114.82 3fif n VAL 6 Ca -0.18 0.00 -0.09 0.00 -0.01 0.00 0.00 64.34 64.06 3fif n VAL 6 Cb 0.56 0.00 -0.08 0.00 -0.91 0.00 0.00 33.84 33.41 3fif n VAL 6 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3fif s ALA 8 N -1.85 -1.69 0.38 3.52 0.00 0.16 -0.28 121.76 122.00 3fif s ALA 8 Ca 0.00 2.17 0.08 0.00 0.00 0.00 0.00 51.96 54.21 3fif s ALA 8 Cb 0.00 -1.28 -0.02 0.00 0.00 0.00 0.00 23.12 21.82 3fif s ALA 8 CO 0.00 -0.35 0.36 0.95 0.00 0.00 0.00 175.76 176.73 3fif s THR 9 N 1.39 3.17 0.25 0.00 -4.23 -0.55 -1.77 115.64 113.90 3fif s THR 9 Ca -0.08 -1.30 0.01 0.00 -1.18 0.00 0.00 61.69 59.13 3fif s THR 9 Cb -0.06 -3.11 0.03 0.00 1.34 0.00 0.00 72.50 70.71 3fif s THR 9 CO -0.15 -0.09 1.66 0.11 -0.54 0.00 0.00 174.62 175.61 3fif h LYS 10 N 1.08 0.51 0.00 3.99 1.57 -1.80 -2.52 116.57 119.39 3fif h LYS 10 Ca -0.43 -0.22 0.00 0.00 -1.87 0.00 0.00 60.65 58.13 3fif h LYS 10 Cb 1.26 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.56 3fif h LYS 10 CO 0.56 0.78 0.00 -0.40 -0.57 0.00 0.00 179.45 179.82 3fif n ASP 11 N -4.07 0.00 0.00 0.86 3.85 -1.26 -4.87 116.55 111.06 3fif n ASP 11 Ca -0.01 -1.32 0.00 0.00 -0.71 0.00 0.00 54.79 52.75 3fif n ASP 11 Cb 0.46 0.00 0.00 0.00 -1.35 0.00 0.00 41.12 40.23 3fif n ASP 11 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3fif n GLY 12 N 0.61 0.92 0.00 6.12 0.00 -0.95 -5.27 105.19 106.61 3fif n GLY 12 Ca 0.11 -0.58 0.00 0.00 0.00 0.00 0.00 46.02 45.56 3fif n GLY 12 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3fif n ARG 13 N -1.32 3.62 -3.22 1.61 1.74 -1.26 -4.89 116.66 112.94 3fif n ARG 13 Ca 0.00 0.00 0.03 0.00 -0.77 0.00 0.00 57.85 57.11 3fif n ARG 13 Cb 0.25 0.00 -0.04 0.00 -1.02 0.00 0.00 32.46 31.65 3fif n ARG 13 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3fif s ILE 15 N 3.75 -0.16 -0.18 0.55 1.01 -1.26 -1.48 121.20 123.44 3fif s ILE 15 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 60.65 60.43 3fif s ILE 15 Cb 0.00 -1.00 -0.02 0.00 0.01 0.00 0.00 42.46 41.45 3fif s ILE 15 CO 0.00 0.00 0.67 -0.22 0.00 0.00 0.00 174.94 175.39 3fif s LEU 16 N 2.20 4.17 0.50 2.97 2.96 -1.26 -4.32 118.68 125.90 3fif s LEU 16 Ca -0.01 0.93 0.05 0.00 -0.22 0.00 0.00 54.13 54.89 3fif s LEU 16 Cb -0.02 -2.96 0.00 0.00 0.50 0.00 0.00 46.19 43.70 3fif s LEU 16 CO -0.16 -0.27 0.25 0.42 -1.32 0.00 0.00 176.35 175.28 3fif s THR 17 N 1.79 1.75 -0.45 3.68 -4.23 -0.99 -4.62 115.64 112.56 3fif s THR 17 Ca 0.31 -1.65 -0.04 0.00 -1.18 0.00 0.00 61.69 59.12 3fif s THR 17 Cb -0.16 -2.40 0.12 0.00 1.34 0.00 0.00 72.50 71.40 3fif s THR 17 CO 0.11 0.00 0.27 -0.62 -0.54 0.00 0.00 174.62 173.84 3fif s ASP 18 N -4.09 5.37 0.00 3.99 3.68 -0.50 -4.33 116.67 120.79 3fif s ASP 18 Ca 0.30 -2.12 0.00 0.00 2.13 0.00 0.00 52.55 52.86 3fif s ASP 18 Cb 0.00 -1.88 0.00 0.00 -1.45 0.00 0.00 42.92 39.60 3fif s ASP 18 CO 0.18 -0.56 0.00 0.61 0.13 0.00 0.00 175.17 175.53 3fif n GLY 19 N 4.52 -0.42 3.76 2.66 0.00 -1.26 -4.82 105.19 109.62 3fif n GLY 19 Ca -0.02 -1.83 -0.41 0.00 0.00 0.00 0.00 46.02 43.76 3fif n GLY 19 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3fif s LYS 20 N -1.01 4.21 0.44 1.61 2.20 -1.26 -4.56 119.74 121.37 3fif s LYS 20 Ca 0.00 2.41 -0.23 0.00 -0.36 0.00 0.00 55.97 57.79 3fif s LYS 20 Cb 0.00 -3.05 -0.08 0.00 -1.51 0.00 0.00 37.83 33.19 3fif s LYS 20 CO 0.00 -0.45 1.15 -2.14 -0.36 0.00 0.00 175.35 173.55 3fif s PRO 21 N -1.10 3.87 -0.51 4.03 0.02 -1.26 -4.99 135.00 135.07 3fif s PRO 21 Ca 0.57 1.75 -0.14 0.00 0.02 0.00 0.00 61.00 63.20 3fif s PRO 21 Cb -0.44 -2.47 0.12 0.00 0.02 0.00 0.00 34.50 31.73 3fif s PRO 21 CO 0.51 -0.45 0.43 -1.21 -0.33 0.00 0.00 177.00 175.95 3fif s GLU 22 N -2.60 2.81 -0.25 5.54 2.02 -0.49 -4.95 118.70 120.78 3fif s GLU 22 Ca 0.62 -1.69 -0.21 0.00 0.02 0.00 0.00 54.97 53.71 3fif s GLU 22 Cb -0.28 -4.15 -0.02 0.00 0.10 0.00 0.00 34.13 29.79 3fif s GLU 22 CO 0.34 -1.25 0.65 0.42 0.02 0.00 0.00 175.26 175.44 3fif s ILE 23 N 1.52 4.98 -0.45 -1.63 1.01 -1.26 -0.27 121.20 125.09 3fif s ILE 23 Ca 0.04 1.17 -0.02 0.00 0.00 0.00 0.00 60.65 61.84 3fif s ILE 23 Cb -0.28 -3.95 0.12 0.00 0.01 0.00 0.00 42.46 38.36 3fif s ILE 23 CO 0.02 0.03 0.25 -0.62 0.00 0.00 0.00 174.94 174.62 3fif s ASP 24 N 1.43 5.21 0.62 3.58 3.68 -0.56 -4.96 116.67 125.67 3fif s ASP 24 Ca 0.27 -2.24 0.37 0.00 2.13 0.00 0.00 52.55 53.08 3fif s ASP 24 Cb -0.15 -1.82 2.08 0.00 -1.45 0.00 0.00 42.92 41.57 3fif s ASP 24 CO 0.09 -0.49 2.30 0.44 0.13 0.00 0.00 175.17 177.63 3fif h ASP 25 N 7.78 0.00 1.12 -0.34 3.45 -1.95 0.11 116.42 126.59 3fif h ASP 25 Ca -0.10 0.00 -0.12 0.00 0.43 0.00 0.00 57.03 57.24 3fif h ASP 25 Cb 1.02 0.00 -0.02 0.00 -0.56 0.00 0.00 39.33 39.78 3fif h ASP 25 CO 0.69 0.01 -0.55 0.44 -1.57 0.00 0.00 179.24 178.26 3fif h ASP 26 N 0.00 0.00 0.00 6.45 3.32 -1.95 -3.34 116.42 120.90 3fif h ASP 26 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3fif h ASP 26 Cb 0.03 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.58 3fif h ASP 26 CO 0.00 0.55 -0.81 0.35 -1.72 0.00 0.00 179.24 177.61 3fif n THR 27 N -3.39 0.00 -1.02 0.35 -2.24 -0.97 -5.00 114.28 102.01 3fif n THR 27 Ca 0.01 -0.24 -0.01 0.00 -2.27 0.00 0.00 64.05 61.54 3fif n THR 27 Cb 0.68 0.65 -0.00 0.00 -2.10 0.00 0.00 70.33 69.56 3fif n THR 27 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3fif n GLY 28 N 1.70 0.48 3.49 3.38 0.00 0.36 -5.03 105.19 109.56 3fif n GLY 28 Ca -0.00 -0.40 -0.34 0.00 0.00 0.00 0.00 46.02 45.28 3fif n GLY 28 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3fif s LEU 29 N -0.15 3.16 -0.20 0.99 1.43 -1.14 -0.92 118.68 121.84 3fif s LEU 29 Ca 0.00 -0.15 -0.09 0.00 -1.03 0.00 0.00 54.13 52.86 3fif s LEU 29 Cb 0.00 -1.74 -0.05 0.00 0.03 0.00 0.00 46.19 44.43 3fif s LEU 29 CO 0.00 0.19 0.11 -0.69 0.23 0.00 0.00 176.35 176.19 3fif s VAL 30 N 0.22 5.13 -0.12 -1.59 1.01 -0.47 -1.50 120.40 123.07 3fif s VAL 30 Ca -0.03 0.09 -0.01 0.00 0.00 0.00 0.00 61.98 62.03 3fif s VAL 30 Cb -0.14 -3.34 -0.02 0.00 0.00 0.00 0.00 36.38 32.87 3fif s VAL 30 CO 0.03 0.42 -0.08 -0.94 0.00 0.00 0.00 175.10 174.53 3fif s SER 31 N 0.56 4.46 0.22 3.32 1.04 0.62 -1.81 113.70 122.11 3fif s SER 31 Ca 0.06 -0.17 -0.12 0.00 0.48 0.00 0.00 55.95 56.20 3fif s SER 31 Cb -0.12 -1.53 -0.00 0.00 0.10 0.00 0.00 66.02 64.46 3fif s SER 31 CO 0.00 0.22 0.43 -0.72 0.98 0.00 0.00 173.24 174.15 3fif s TYR 32 N 0.03 0.35 0.02 5.02 -0.85 -1.26 -1.39 117.35 119.27 3fif s TYR 32 Ca -0.02 -0.70 0.06 0.00 -0.52 0.00 0.00 57.07 55.88 3fif s TYR 32 Cb -0.14 0.13 -0.02 0.00 0.38 0.00 0.00 41.96 42.31 3fif s TYR 32 CO 0.03 -0.91 -0.17 -1.01 -1.52 0.00 0.00 175.55 171.97 3fif s HIS 33 N -4.00 1.52 0.14 -3.49 3.76 -1.26 -4.52 115.29 107.44 3fif s HIS 33 Ca 0.21 -0.33 -0.08 0.00 -0.15 0.00 0.00 55.06 54.71 3fif s HIS 33 Cb 0.00 -0.93 -0.04 0.00 1.11 0.00 0.00 32.58 32.72 3fif s HIS 33 CO 0.06 0.03 1.40 -0.44 -0.85 0.00 0.00 174.74 174.93 3fif h ASP 34 N 5.27 0.78 -2.36 1.40 5.19 -1.94 -1.32 116.42 123.45 3fif h ASP 34 Ca -0.38 -0.47 -0.47 0.00 -0.62 0.00 0.00 57.03 55.08 3fif h ASP 34 Cb 1.16 -0.23 0.10 0.00 0.18 0.00 0.00 39.33 40.54 3fif h ASP 34 CO 0.46 1.24 0.17 0.00 -3.12 0.00 0.00 179.24 177.99 3fif s ALA 39 N -3.84 3.46 -0.29 3.45 0.00 -1.26 -4.65 121.76 118.63 3fif s ALA 39 Ca -0.09 -1.72 -0.26 0.00 0.00 0.00 0.00 51.96 49.90 3fif s ALA 39 Cb 0.10 -2.10 0.17 0.00 0.00 0.00 0.00 23.12 21.29 3fif s ALA 39 CO 0.87 -1.71 1.32 1.14 0.00 0.00 0.00 175.76 177.38 3fif s GLN 41 N -5.31 0.19 -0.03 0.00 -2.07 -1.26 -5.04 119.66 106.15 3fif s GLN 41 Ca 0.69 0.19 -0.02 0.00 -1.82 0.00 0.00 55.36 54.40 3fif s GLN 41 Cb -0.04 0.09 0.02 0.00 -1.09 0.00 0.00 33.01 31.99 3fif s GLN 41 CO 0.46 -0.03 0.06 -1.50 -1.32 0.00 0.00 175.29 172.97 3fif s ILE 42 N -0.12 -0.02 0.34 3.63 2.07 -0.75 -5.01 121.20 121.34 3fif s ILE 42 Ca 0.06 0.09 -0.29 0.00 -1.41 0.00 0.00 60.65 59.10 3fif s ILE 42 Cb -0.04 -0.11 -0.11 0.00 0.13 0.00 0.00 42.46 42.33 3fif s ILE 42 CO -0.12 0.04 1.53 0.20 -1.91 0.00 0.00 174.94 174.68 3fif s ASN 43 N 0.51 6.36 0.48 4.50 -0.87 -1.26 -1.37 114.94 123.28 3fif s ASN 43 Ca -0.04 3.00 0.28 0.00 -1.57 0.00 0.00 52.86 54.54 3fif s ASN 43 Cb -0.06 -2.65 1.54 0.00 -0.02 0.00 0.00 41.25 40.07 3fif s ASN 43 CO -0.02 -0.89 1.85 -0.09 -2.57 0.00 0.00 177.10 175.39 3fif h ARG 44 N 3.83 0.00 -0.02 -0.60 2.43 -1.36 -0.25 114.38 118.40 3fif h ARG 44 Ca -0.49 0.00 -0.13 0.00 -0.81 0.00 0.00 59.98 58.55 3fif h ARG 44 Cb 1.23 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.76 3fif h ARG 44 CO 0.71 0.00 -0.59 0.22 -1.51 0.00 0.00 179.97 178.80 3fif h ASP 45 N 0.00 0.08 -0.11 -3.80 -0.00 -1.88 -2.73 116.42 107.98 3fif h ASP 45 Ca 0.00 -0.04 0.00 0.00 -0.00 0.00 0.00 57.03 56.99 3fif h ASP 45 Cb 0.20 -0.02 0.00 0.00 -0.00 0.00 0.00 39.33 39.51 3fif h ASP 45 CO 0.00 0.65 0.00 0.47 -0.00 0.00 0.00 179.24 180.36 3fif n ASP 46 N -3.85 1.43 -4.27 2.28 8.00 -0.11 -4.81 116.55 115.22 3fif n ASP 46 Ca -0.02 -1.60 -0.37 0.00 0.71 0.00 0.00 54.79 53.51 3fif n ASP 46 Cb 0.59 -0.06 -0.13 0.00 -0.02 0.00 0.00 41.12 41.50 3fif n ASP 46 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3fif s VAL 47 N -1.87 3.64 -0.12 2.53 1.01 -1.03 -2.33 120.40 122.22 3fif s VAL 47 Ca 0.34 -1.03 -0.10 0.00 0.00 0.00 0.00 61.98 61.19 3fif s VAL 47 Cb 0.18 -2.99 -0.26 0.00 0.00 0.00 0.00 36.38 33.31 3fif s VAL 47 CO 0.28 -0.06 0.39 0.77 0.00 0.00 0.00 175.10 176.48 3fif h SER 48 N 8.17 0.38 -3.54 3.32 4.64 -1.63 -3.47 113.55 121.42 3fif h SER 48 Ca -0.26 -0.89 -0.23 0.00 -0.47 0.00 0.00 61.79 59.94 3fif h SER 48 Cb 1.09 -0.12 -0.30 0.00 -0.31 0.00 0.00 62.40 62.76 3fif h SER 48 CO 0.59 1.79 -0.59 -1.10 -0.87 0.00 0.00 176.83 176.65 3fif s GLN 49 N -2.53 0.11 -0.24 4.77 -0.21 -0.73 -5.01 119.66 115.82 3fif s GLN 49 Ca -0.22 0.31 -0.09 0.00 0.02 0.00 0.00 55.36 55.37 3fif s GLN 49 Cb 0.06 -0.10 -0.04 0.00 1.00 0.00 0.00 33.01 33.93 3fif s GLN 49 CO 0.75 -0.12 0.12 0.42 -2.12 0.00 0.00 175.29 174.35 3fif s ILE 50 N 0.82 4.95 -0.18 1.08 1.09 -1.26 0.37 121.20 128.07 3fif s ILE 50 Ca -0.06 0.04 -0.04 0.00 -1.10 0.00 0.00 60.65 59.48 3fif s ILE 50 Cb -0.08 -3.30 -0.02 0.00 -1.06 0.00 0.00 42.46 37.99 3fif s ILE 50 CO -0.04 0.35 -0.02 -0.63 -0.10 0.00 0.00 174.94 174.50 3fif s ILE 51 N 1.16 3.83 -0.42 2.92 1.01 0.62 -5.01 121.20 125.32 3fif s ILE 51 Ca 0.06 -0.36 -0.09 0.00 0.00 0.00 0.00 60.65 60.25 3fif s ILE 51 Cb -0.14 -2.71 0.08 0.00 0.01 0.00 0.00 42.46 39.70 3fif s ILE 51 CO 0.05 0.45 0.27 -0.70 0.00 0.00 0.00 174.94 175.01 3fif s GLU 52 N 0.81 2.61 -0.40 2.79 2.12 -1.26 -1.59 118.70 123.78 3fif s GLU 52 Ca -0.00 -1.47 -0.25 0.00 0.36 0.00 0.00 54.97 53.61 3fif s GLU 52 Cb -0.14 -3.80 0.02 0.00 0.26 0.00 0.00 34.13 30.46 3fif s GLU 52 CO 0.02 -0.97 0.86 1.03 -0.54 0.00 0.00 175.26 175.67 3fif s ARG 53 N 1.43 3.68 0.73 4.30 0.52 -0.87 -4.99 118.95 123.75 3fif s ARG 53 Ca 0.03 0.30 -0.11 0.00 -0.52 0.00 0.00 55.73 55.43 3fif s ARG 53 Cb -0.23 -3.86 0.03 0.00 0.52 0.00 0.00 34.95 31.41 3fif s ARG 53 CO 0.02 -1.01 1.07 -0.51 0.02 0.00 0.00 175.30 174.89 3fif s LEU 54 N 3.42 3.02 -0.02 2.53 1.43 -1.26 -1.19 118.68 126.60 3fif s LEU 54 Ca 0.35 1.61 0.03 0.00 -1.03 0.00 0.00 54.13 55.08 3fif s LEU 54 Cb -0.12 -4.40 -0.03 0.00 0.03 0.00 0.00 46.19 41.67 3fif s LEU 54 CO 0.21 -1.65 -0.08 -0.70 0.23 0.00 0.00 176.35 174.36 3fif s GLU 55 N -5.03 2.58 -0.10 1.70 2.56 -1.26 -4.83 118.70 114.32 3fif s GLU 55 Ca 0.59 -0.68 -0.01 0.00 0.00 0.00 0.00 54.97 54.87 3fif s GLU 55 Cb -0.15 -2.50 0.03 0.00 2.00 0.00 0.00 34.13 33.51 3fif s GLU 55 CO 0.55 0.62 -0.05 -1.01 -0.56 0.00 0.00 175.26 174.82 3fif s HIS 56 N -0.91 1.16 -2.22 5.30 3.76 -1.26 -5.01 115.29 116.11 3fif s HIS 56 Ca 0.15 -0.51 0.30 0.00 -0.15 0.00 0.00 55.06 54.85 3fif s HIS 56 Cb -0.11 -1.06 1.54 0.00 1.11 0.00 0.00 32.58 34.06 3fif s HIS 56 CO 0.05 -0.44 2.02 0.72 -0.85 0.00 0.00 174.74 176.24