#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1afp n THR 2 N 0.00 0.00 -3.85 0.00 -1.04 -1.26 -4.61 114.28 103.51 1afp n THR 2 Ca 0.00 -0.19 -0.24 0.00 -2.04 0.00 0.00 64.05 61.58 1afp n THR 2 Cb 0.00 -0.69 -0.17 0.00 -1.82 0.00 0.00 70.33 67.65 1afp n THR 2 CO 0.00 0.00 0.00 -0.31 -0.64 0.00 0.00 175.07 174.12 1afp s TYR 3 N -2.40 0.95 0.70 -1.42 1.51 -0.47 -4.91 117.35 111.31 1afp s TYR 3 Ca 0.59 -0.36 -0.11 0.00 -1.01 0.00 0.00 57.07 56.17 1afp s TYR 3 Cb -0.20 -0.94 0.01 0.00 -0.11 0.00 0.00 41.96 40.73 1afp s TYR 3 CO 0.66 -0.38 1.07 -0.80 -1.11 0.00 0.00 175.55 174.99 1afp s ASN 4 N 1.80 5.26 0.00 2.29 0.02 -1.26 0.18 114.94 123.23 1afp s ASN 4 Ca 0.04 1.67 0.00 0.00 -1.02 0.00 0.00 52.86 53.55 1afp s ASN 4 Cb -0.13 -2.50 0.00 0.00 0.02 0.00 0.00 41.25 38.64 1afp s ASN 4 CO -0.06 -1.53 0.00 0.61 0.02 0.00 0.00 177.10 176.15 1afp n GLY 5 N -1.76 -0.90 3.42 0.66 0.00 0.13 -3.85 105.19 102.89 1afp n GLY 5 Ca 0.08 -0.88 -0.21 0.00 0.00 0.00 0.00 46.02 45.01 1afp n GLY 5 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1afp s LYS 6 N -0.80 1.54 0.19 1.61 1.02 0.10 0.81 119.74 124.22 1afp s LYS 6 Ca 0.00 -1.80 0.04 0.00 0.02 0.00 0.00 55.97 54.23 1afp s LYS 6 Cb 0.00 -0.99 -0.05 0.00 -0.52 0.00 0.00 37.83 36.27 1afp s LYS 6 CO 0.00 -0.05 -0.06 0.00 -0.92 0.00 0.00 175.35 174.32 1afp s TYR 8 N -3.33 2.06 -0.15 0.00 1.51 0.46 -1.27 117.35 116.62 1afp s TYR 8 Ca 0.23 -0.48 -0.25 0.00 -1.01 0.00 0.00 57.07 55.56 1afp s TYR 8 Cb 0.04 -1.34 -0.25 0.00 -0.11 0.00 0.00 41.96 40.30 1afp s TYR 8 CO 0.05 -0.10 0.61 1.57 -1.11 0.00 0.00 175.55 176.57 1afp h LYS 9 N 5.80 0.05 -0.15 -0.62 2.10 -1.80 1.92 116.57 123.87 1afp h LYS 9 Ca -0.37 -0.09 0.04 0.00 -2.00 0.00 0.00 60.65 58.23 1afp h LYS 9 Cb 1.15 0.03 -0.01 0.00 -0.90 0.00 0.00 32.23 32.51 1afp h LYS 9 CO 0.47 1.04 0.15 -0.22 -2.00 0.00 0.00 179.45 178.90 1afp h LYS 10 N -0.87 0.00 0.00 0.07 3.11 -1.96 -0.26 116.57 116.67 1afp h LYS 10 Ca -0.14 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.70 1afp h LYS 10 Cb 1.23 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.46 1afp h LYS 10 CO -0.04 0.00 -1.26 -0.25 -2.81 0.00 0.00 179.45 175.09 1afp n ASP 11 N -3.97 1.55 -3.68 4.20 9.92 -1.24 -5.02 116.55 118.30 1afp n ASP 11 Ca 0.01 -0.27 -0.29 0.00 -0.53 0.00 0.00 54.79 53.71 1afp n ASP 11 Cb 0.26 1.39 0.03 0.00 -0.64 0.00 0.00 41.12 42.17 1afp n ASP 11 CO 0.00 0.00 0.00 -3.20 0.13 0.00 0.00 177.20 174.13 1afp n ASN 12 N -1.73 -5.39 -3.31 -2.24 2.85 0.63 -4.93 115.26 101.13 1afp n ASN 12 Ca -0.01 -0.95 -0.14 0.00 -0.11 0.00 0.00 54.58 53.37 1afp n ASN 12 Cb 0.29 -3.14 -0.04 0.00 1.24 0.00 0.00 39.78 38.13 1afp n ASN 12 CO 0.00 0.00 0.00 0.27 -2.11 0.00 0.00 177.26 175.42 1afp s ILE 13 N -3.36 0.00 -0.19 -1.44 -5.25 -0.03 -2.95 121.20 107.99 1afp s ILE 13 Ca 0.37 -1.61 -0.01 0.00 -0.99 0.00 0.00 60.65 58.41 1afp s ILE 13 Cb -0.14 -2.61 0.05 0.00 2.95 0.00 0.00 42.46 42.71 1afp s ILE 13 CO 0.87 0.00 -0.04 0.00 -1.79 0.00 0.00 174.94 173.98 1afp s LYS 15 N 1.60 3.88 0.00 0.00 1.02 0.57 0.24 119.74 127.05 1afp s LYS 15 Ca -0.02 -0.36 0.00 0.00 0.02 0.00 0.00 55.97 55.61 1afp s LYS 15 Cb -0.17 -3.50 0.00 0.00 -0.52 0.00 0.00 37.83 33.64 1afp s LYS 15 CO -0.07 -0.11 0.00 2.48 -0.92 0.00 0.00 175.35 176.73 1afp n TYR 16 N 4.78 0.00 -5.03 3.18 4.11 -1.19 0.01 117.16 123.02 1afp n TYR 16 Ca -0.15 0.00 -0.32 0.00 -0.00 0.00 0.00 57.90 57.43 1afp n TYR 16 Cb 0.52 0.00 -0.16 0.00 -0.00 0.00 0.00 39.34 39.70 1afp n TYR 16 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 176.86 177.01 1afp s LYS 17 N 2.18 3.14 0.79 -3.48 1.02 -1.25 -4.37 119.74 117.77 1afp s LYS 17 Ca 0.00 -0.79 -0.12 0.00 0.02 0.00 0.00 55.97 55.08 1afp s LYS 17 Cb 0.00 -2.43 0.06 0.00 -0.52 0.00 0.00 37.83 34.94 1afp s LYS 17 CO 0.00 0.22 1.13 0.00 -0.92 0.00 0.00 175.35 175.78 1afp s ALA 18 N 0.27 2.52 0.45 5.17 0.00 -0.56 -4.84 121.76 124.77 1afp s ALA 18 Ca -0.14 -0.43 0.22 0.00 0.00 0.00 0.00 51.96 51.62 1afp s ALA 18 Cb -0.17 -3.02 1.21 0.00 0.00 0.00 0.00 23.12 21.14 1afp s ALA 18 CO 0.07 -1.59 1.83 0.37 0.00 0.00 0.00 175.76 176.44 1afp h GLN 19 N -0.99 0.28 0.00 0.00 5.75 -1.97 0.30 115.11 118.47 1afp h GLN 19 Ca -0.47 -0.02 -0.01 0.00 -0.15 0.00 0.00 58.65 58.01 1afp h GLN 19 Cb 1.29 -0.06 -0.03 0.00 1.07 0.00 0.00 27.48 29.75 1afp h GLN 19 CO 0.63 0.18 -0.27 0.43 -2.65 0.00 0.00 178.83 177.15 1afp n SER 20 N -4.47 1.64 0.00 -0.69 7.64 -1.26 -4.94 113.62 111.54 1afp n SER 20 Ca 0.22 -2.93 0.00 0.00 1.01 0.00 0.00 58.87 57.17 1afp n SER 20 Cb 0.86 -0.39 0.00 0.00 -1.01 0.00 0.00 64.21 63.67 1afp n SER 20 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1afp n GLY 21 N -0.94 1.48 0.00 0.23 0.00 0.09 -4.93 105.19 101.12 1afp n GLY 21 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 1afp n GLY 21 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1afp n LYS 22 N -2.00 0.00 -1.64 1.61 5.02 -1.26 -4.44 118.16 115.44 1afp n LYS 22 Ca 0.00 0.03 -0.40 0.00 -2.02 0.00 0.00 58.31 55.92 1afp n LYS 22 Cb 0.00 -0.62 0.03 0.00 -0.02 0.00 0.00 35.03 34.42 1afp n LYS 22 CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29 1afp n THR 23 N -0.15 2.93 -1.38 -0.18 -1.04 -1.26 -4.76 114.28 108.44 1afp n THR 23 Ca 0.00 -0.50 0.00 0.00 -2.04 0.00 0.00 64.05 61.51 1afp n THR 23 Cb 0.00 -1.30 0.00 0.00 -1.82 0.00 0.00 70.33 67.21 1afp n THR 23 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1afp n ALA 24 N -0.82 1.32 -3.11 2.41 0.00 -1.26 -1.50 120.51 117.56 1afp n ALA 24 Ca 0.10 -0.61 -0.12 0.00 0.00 0.00 0.00 53.44 52.81 1afp n ALA 24 Cb 0.42 -0.15 -0.07 0.00 0.00 0.00 0.00 19.45 19.65 1afp n ALA 24 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1afp s ILE 25 N 0.00 0.07 -0.29 0.00 1.01 -1.25 -3.17 121.20 117.56 1afp s ILE 25 Ca 0.00 -0.54 0.04 0.00 0.00 0.00 0.00 60.65 60.15 1afp s ILE 25 Cb 0.00 -0.93 0.18 0.00 0.01 0.00 0.00 42.46 41.71 1afp s ILE 25 CO 0.00 -0.30 0.50 0.00 0.00 0.00 0.00 174.94 175.14 1afp n LYS 27 N 5.39 0.00 -3.60 0.00 5.02 -1.26 -0.43 118.16 123.27 1afp n LYS 27 Ca 0.03 0.00 -0.38 0.00 -2.02 0.00 0.00 58.31 55.94 1afp n LYS 27 Cb 0.52 -0.89 -0.11 0.00 -0.02 0.00 0.00 35.03 34.52 1afp n LYS 27 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1afp s TYR 29 N 1.75 3.00 0.00 0.00 1.13 -1.26 -4.66 117.35 117.30 1afp s TYR 29 Ca 0.07 -0.05 0.00 0.00 -1.41 0.00 0.00 57.07 55.68 1afp s TYR 29 Cb -0.16 -1.80 0.00 0.00 -1.10 0.00 0.00 41.96 38.90 1afp s TYR 29 CO 0.10 0.24 0.00 0.28 -2.51 0.00 0.00 175.55 173.67 1afp n VAL 30 N 2.60 0.00 -0.83 -3.49 0.31 -1.26 -4.35 118.33 111.31 1afp n VAL 30 Ca -0.18 0.00 -0.29 0.00 -0.01 0.00 0.00 64.34 63.86 1afp n VAL 30 Cb 0.53 0.00 -0.03 0.00 -0.91 0.00 0.00 33.84 33.43 1afp n VAL 30 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 1afp n LYS 31 N 0.00 1.65 -0.85 5.55 4.81 -1.26 -4.90 118.16 123.16 1afp n LYS 31 Ca 0.00 -1.52 -0.35 0.00 -0.87 0.00 0.00 58.31 55.57 1afp n LYS 31 Cb 0.00 -2.60 0.10 0.00 0.02 0.00 0.00 35.03 32.55 1afp n LYS 31 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 1afp n LYS 32 N 5.45 -0.50 -2.30 1.64 5.02 -1.26 -4.49 118.16 121.72 1afp n LYS 32 Ca 0.43 -0.13 -0.41 0.00 -2.02 0.00 0.00 58.31 56.18 1afp n LYS 32 Cb 0.23 -1.46 -0.03 0.00 -0.02 0.00 0.00 35.03 33.76 1afp n LYS 32 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1afp h PRO 34 N 4.56 0.16 0.00 0.00 0.13 -1.90 -3.40 132.00 131.55 1afp h PRO 34 Ca -0.46 -0.16 0.00 0.00 -0.87 0.00 0.00 66.00 64.51 1afp h PRO 34 Cb 1.22 0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.39 1afp h PRO 34 CO 0.72 0.87 0.00 2.89 -0.23 0.00 0.00 178.00 182.25 1afp n ARG 35 N -3.70 0.00 -1.49 0.86 1.85 -1.26 -4.88 116.66 108.04 1afp n ARG 35 Ca -0.03 0.00 -0.54 0.00 -1.00 0.00 0.00 57.85 56.28 1afp n ARG 35 Cb 0.75 0.00 -0.06 0.00 -1.05 0.00 0.00 32.46 32.10 1afp n ARG 35 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 1afp n ASP 36 N 0.00 -0.02 0.00 2.89 8.00 -1.25 0.27 116.55 126.45 1afp n ASP 36 Ca 0.00 1.15 0.00 0.00 0.71 0.00 0.00 54.79 56.65 1afp n ASP 36 Cb 0.00 -0.99 0.00 0.00 -0.02 0.00 0.00 41.12 40.11 1afp n ASP 36 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1afp n GLY 37 N 1.76 2.65 3.67 0.44 0.00 -0.40 -4.96 105.19 108.36 1afp n GLY 37 Ca 0.19 0.00 -0.51 0.00 0.00 0.00 0.00 46.02 45.70 1afp n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1afp n ALA 38 N -1.69 0.64 -1.75 4.61 0.00 0.14 -4.57 120.51 117.89 1afp n ALA 38 Ca 0.00 0.27 -0.37 0.00 0.00 0.00 0.00 53.44 53.34 1afp n ALA 38 Cb 0.00 -2.44 0.03 0.00 0.00 0.00 0.00 19.45 17.04 1afp n ALA 38 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1afp s LYS 39 N 4.17 3.15 0.16 0.00 2.20 -1.26 0.12 119.74 128.27 1afp s LYS 39 Ca 0.96 2.00 -0.20 0.00 -0.36 0.00 0.00 55.97 58.37 1afp s LYS 39 Cb -0.79 -2.14 0.05 0.00 -1.51 0.00 0.00 37.83 33.44 1afp s LYS 39 CO 0.55 -1.11 0.53 0.00 -0.36 0.00 0.00 175.35 174.96 1afp s GLU 41 N -3.79 1.25 0.16 0.00 1.03 -1.25 0.20 118.70 116.30 1afp s GLU 41 Ca 0.03 -0.26 -0.19 0.00 0.03 0.00 0.00 54.97 54.58 1afp s GLU 41 Cb -0.00 -1.11 -0.08 0.00 -0.80 0.00 0.00 34.13 32.14 1afp s GLU 41 CO -0.11 -0.02 0.65 0.12 -1.33 0.00 0.00 175.26 174.58 1afp s PHE 42 N 0.75 3.70 -0.17 4.83 5.36 0.13 -2.99 117.98 129.59 1afp s PHE 42 Ca -0.13 1.31 -0.07 0.00 -0.96 0.00 0.00 56.93 57.08 1afp s PHE 42 Cb -0.15 -2.54 -0.04 0.00 -0.34 0.00 0.00 43.02 39.95 1afp s PHE 42 CO 0.02 0.44 0.06 0.34 -1.46 0.00 0.00 175.22 174.62 1afp s ASP 43 N -1.49 5.63 -0.21 6.13 -1.08 -1.21 -1.36 116.67 123.09 1afp s ASP 43 Ca 0.38 0.11 0.15 0.00 -0.52 0.00 0.00 52.55 52.67 1afp s ASP 43 Cb -0.18 -1.93 0.74 0.00 -1.46 0.00 0.00 42.92 40.10 1afp s ASP 43 CO 0.21 0.21 1.66 -1.54 0.52 0.00 0.00 175.17 176.22 1afp n SER 44 N 3.31 5.19 -0.00 -0.34 3.41 -1.26 -2.55 113.62 121.38 1afp n SER 44 Ca -0.17 -2.89 0.06 0.00 -0.26 0.00 0.00 58.87 55.61 1afp n SER 44 Cb 0.52 -0.64 -0.07 0.00 -0.26 0.00 0.00 64.21 63.77 1afp n SER 44 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 1afp n TYR 45 N 0.43 0.00 0.00 7.33 4.01 -1.26 -4.80 117.16 122.87 1afp n TYR 45 Ca 0.26 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 58.00 1afp n TYR 45 Cb 1.09 -0.05 0.00 0.00 -0.31 0.00 0.00 39.34 40.07 1afp n TYR 45 CO 0.00 0.00 0.00 0.36 -0.46 0.00 0.00 176.86 176.76 1afp n LYS 46 N -1.38 0.00 0.00 -0.72 2.85 -1.26 -5.05 118.16 112.60 1afp n LYS 46 Ca 0.02 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.28 1afp n LYS 46 Cb 0.21 -0.13 0.00 0.00 -0.65 0.00 0.00 35.03 34.46 1afp n LYS 46 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1afp n GLY 47 N 1.29 1.35 3.94 2.58 0.00 -1.06 -5.12 105.19 108.17 1afp n GLY 47 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 1afp n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1afp s LYS 48 N -0.33 1.18 -0.35 1.61 1.02 -1.26 -4.93 119.74 116.68 1afp s LYS 48 Ca 0.00 -0.46 0.02 0.00 0.02 0.00 0.00 55.97 55.55 1afp s LYS 48 Cb 0.00 -1.99 0.11 0.00 -0.52 0.00 0.00 37.83 35.43 1afp s LYS 48 CO 0.00 -2.00 0.10 0.00 -0.92 0.00 0.00 175.35 172.53 1afp n TYR 50 N 4.29 1.27 1.27 0.00 4.02 -1.16 -4.70 117.16 122.14 1afp n TYR 50 Ca 0.02 -1.92 0.10 0.00 -0.01 0.00 0.00 57.90 56.10 1afp n TYR 50 Cb 0.41 -1.67 0.60 0.00 -0.02 0.00 0.00 39.34 38.66 1afp n TYR 50 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85