#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1afp s THR 2 N 0.00 4.10 0.56 0.00 2.01 -1.26 -4.40 115.64 116.65 1afp s THR 2 Ca 0.00 1.82 0.09 0.00 0.31 0.00 0.00 61.69 63.91 1afp s THR 2 Cb 0.00 -4.04 0.09 0.00 0.01 0.00 0.00 72.50 68.56 1afp s THR 2 CO 0.00 0.22 0.76 -1.22 -0.69 0.00 0.00 174.62 173.68 1afp n TYR 3 N 0.73 -2.24 -3.80 4.92 4.01 -0.73 -4.87 117.16 115.18 1afp n TYR 3 Ca 0.01 -2.05 -0.13 0.00 -0.16 0.00 0.00 57.90 55.58 1afp n TYR 3 Cb 0.49 -0.53 -0.09 0.00 -0.31 0.00 0.00 39.34 38.90 1afp n TYR 3 CO 0.00 0.00 0.00 -0.80 -0.46 0.00 0.00 176.86 175.60 1afp s ASN 4 N -4.45 -0.11 0.00 7.72 -0.87 -1.26 -2.79 114.94 113.19 1afp s ASN 4 Ca 0.57 -0.02 0.00 0.00 -1.57 0.00 0.00 52.86 51.84 1afp s ASN 4 Cb -0.05 0.27 0.00 0.00 -0.02 0.00 0.00 41.25 41.46 1afp s ASN 4 CO 0.36 -0.42 0.00 0.61 -2.57 0.00 0.00 177.10 175.08 1afp n GLY 5 N 1.32 -0.84 3.15 0.66 0.00 0.86 -3.63 105.19 106.71 1afp n GLY 5 Ca -0.22 -0.23 -0.12 0.00 0.00 0.00 0.00 46.02 45.45 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 -0.12 0.78 0.14 1.61 1.02 -0.16 -1.13 119.74 121.88 1afp s LYS 6 Ca 0.00 -1.16 0.11 0.00 0.02 0.00 0.00 55.97 54.94 1afp s LYS 6 Cb 0.00 -0.33 -0.04 0.00 -0.52 0.00 0.00 37.83 36.94 1afp s LYS 6 CO 0.00 0.03 -0.25 0.00 -0.92 0.00 0.00 175.35 174.21 1afp s TYR 8 N -1.15 2.84 0.04 0.00 2.02 -1.00 -1.88 117.35 118.22 1afp s TYR 8 Ca 0.15 -0.49 -0.24 0.00 -0.37 0.00 0.00 57.07 56.13 1afp s TYR 8 Cb -0.10 -1.83 -0.13 0.00 -0.40 0.00 0.00 41.96 39.50 1afp s TYR 8 CO 0.07 -0.10 1.35 0.87 -1.57 0.00 0.00 175.55 176.17 1afp h LYS 9 N 6.45 -0.83 0.00 -0.62 1.57 -1.81 2.46 116.57 123.79 1afp h LYS 9 Ca -0.30 0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.53 1afp h LYS 9 Cb 1.20 0.19 0.00 0.00 0.08 0.00 0.00 32.23 33.70 1afp h LYS 9 CO 0.56 -0.55 0.00 1.17 -0.57 0.00 0.00 179.45 180.06 1afp n LYS 10 N -4.31 0.00 0.13 3.15 3.00 -1.26 0.17 118.16 119.03 1afp n LYS 10 Ca -0.11 0.86 0.10 0.00 -0.00 0.00 0.00 58.31 59.16 1afp n LYS 10 Cb 0.34 -1.40 0.48 0.00 0.00 0.00 0.00 35.03 34.45 1afp n LYS 10 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 1afp n ASP 11 N -2.52 0.49 -4.04 3.14 -0.08 -1.24 -4.84 116.55 107.46 1afp n ASP 11 Ca 0.00 0.69 -0.42 0.00 -1.51 0.00 0.00 54.79 53.56 1afp n ASP 11 Cb 0.00 -0.77 0.02 0.00 2.34 0.00 0.00 41.12 42.71 1afp n ASP 11 CO 0.00 0.00 0.00 -3.20 0.12 0.00 0.00 177.20 174.12 1afp n ASN 12 N -2.12 -3.71 -2.70 1.67 5.15 0.82 -4.76 115.26 109.62 1afp n ASN 12 Ca -0.00 -1.17 -0.14 0.00 -0.60 0.00 0.00 54.58 52.67 1afp n ASN 12 Cb 0.08 -1.42 -0.05 0.00 -0.53 0.00 0.00 39.78 37.86 1afp n ASN 12 CO 0.00 0.00 0.00 2.30 1.40 0.00 0.00 177.26 180.96 1afp n ILE 13 N -4.56 0.00 -3.84 -1.44 -6.64 -0.72 -0.63 119.36 101.53 1afp n ILE 13 Ca -0.11 -1.49 -0.30 0.00 -1.77 0.00 0.00 62.75 59.08 1afp n ILE 13 Cb 0.51 0.63 -0.16 0.00 -1.44 0.00 0.00 39.64 39.19 1afp n ILE 13 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 1afp s LYS 15 N 1.51 4.27 0.07 0.00 1.02 0.27 -1.28 119.74 125.60 1afp s LYS 15 Ca 0.02 0.80 -0.27 0.00 0.02 0.00 0.00 55.97 56.54 1afp s LYS 15 Cb -0.18 -3.26 0.09 0.00 -0.52 0.00 0.00 37.83 33.96 1afp s LYS 15 CO -0.13 0.60 0.89 1.52 -0.92 0.00 0.00 175.35 177.30 1afp s TYR 16 N -0.99 -0.29 -0.07 3.18 1.13 -1.04 -0.99 117.35 118.28 1afp s TYR 16 Ca 0.30 0.08 -0.22 0.00 -1.41 0.00 0.00 57.07 55.83 1afp s TYR 16 Cb -0.20 0.58 -0.04 0.00 -1.10 0.00 0.00 41.96 41.20 1afp s TYR 16 CO 0.20 -0.68 0.63 0.15 -2.51 0.00 0.00 175.55 173.34 1afp s LYS 17 N -3.24 4.40 0.51 -3.49 1.02 -1.24 0.44 119.74 118.14 1afp s LYS 17 Ca 0.07 0.75 -0.14 0.00 0.02 0.00 0.00 55.97 56.68 1afp s LYS 17 Cb -0.01 -3.43 -0.07 0.00 -0.52 0.00 0.00 37.83 33.80 1afp s LYS 17 CO -0.05 0.14 0.93 0.00 -0.92 0.00 0.00 175.35 175.45 1afp s ALA 18 N 0.59 3.16 0.39 5.17 0.00 -1.26 -4.73 121.76 125.08 1afp s ALA 18 Ca 0.34 0.01 0.24 0.00 0.00 0.00 0.00 51.96 52.54 1afp s ALA 18 Cb -0.17 -2.99 1.38 0.00 0.00 0.00 0.00 23.12 21.34 1afp s ALA 18 CO 0.16 -0.27 1.58 -0.56 0.00 0.00 0.00 175.76 176.67 1afp h GLN 19 N 0.74 0.02 -0.41 0.00 3.07 -1.97 1.24 115.11 117.79 1afp h GLN 19 Ca -0.46 -0.00 0.08 0.00 0.09 0.00 0.00 58.65 58.35 1afp h GLN 19 Cb 1.19 -0.00 -0.07 0.00 0.08 0.00 0.00 27.48 28.68 1afp h GLN 19 CO 0.62 0.01 0.00 0.66 0.09 0.00 0.00 178.83 180.21 1afp h SER 20 N 0.02 -0.17 0.00 0.06 4.64 -2.02 -3.46 113.55 112.62 1afp h SER 20 Ca 0.85 0.10 0.00 0.00 -0.47 0.00 0.00 61.79 62.27 1afp h SER 20 Cb 2.37 0.17 0.00 0.00 -0.31 0.00 0.00 62.40 64.63 1afp h SER 20 CO -0.69 -0.05 0.00 0.61 -0.87 0.00 0.00 176.83 175.84 1afp n GLY 21 N -1.28 1.12 0.00 -0.77 0.00 0.43 -5.09 105.19 99.60 1afp n GLY 21 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 1afp n GLY 21 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1afp n LYS 22 N 0.00 0.00 -3.63 1.61 4.81 -1.26 -4.74 118.16 114.95 1afp n LYS 22 Ca 0.00 0.00 -0.13 0.00 -0.87 0.00 0.00 58.31 57.31 1afp n LYS 22 Cb 0.00 0.00 -0.07 0.00 0.02 0.00 0.00 35.03 34.98 1afp n LYS 22 CO 0.00 0.00 0.00 0.99 1.17 0.00 0.00 177.40 179.56 1afp s THR 23 N 0.00 0.00 -0.07 3.15 2.01 -1.26 -4.11 115.64 115.36 1afp s THR 23 Ca 0.00 0.00 0.01 0.00 0.31 0.00 0.00 61.69 62.01 1afp s THR 23 Cb 0.00 -1.00 0.02 0.00 0.01 0.00 0.00 72.50 71.53 1afp s THR 23 CO 0.00 0.00 -0.09 0.00 -0.69 0.00 0.00 174.62 173.84 1afp s ALA 24 N 0.51 1.06 -0.06 7.40 0.00 0.17 -4.74 121.76 126.11 1afp s ALA 24 Ca -0.01 -0.31 -0.09 0.00 0.00 0.00 0.00 51.96 51.56 1afp s ALA 24 Cb -0.05 -0.58 -0.05 0.00 0.00 0.00 0.00 23.12 22.45 1afp s ALA 24 CO -0.02 -0.03 0.24 0.42 0.00 0.00 0.00 175.76 176.37 1afp s ILE 25 N 0.95 5.34 -0.25 0.00 1.01 -1.26 -2.51 121.20 124.48 1afp s ILE 25 Ca -0.10 0.36 -0.04 0.00 0.00 0.00 0.00 60.65 60.87 1afp s ILE 25 Cb -0.15 -3.52 0.09 0.00 0.01 0.00 0.00 42.46 38.89 1afp s ILE 25 CO 0.00 0.55 0.11 0.00 0.00 0.00 0.00 174.94 175.60 1afp n LYS 27 N 5.23 0.05 0.00 0.00 2.85 -1.26 0.11 118.16 125.13 1afp n LYS 27 Ca -0.06 0.02 0.00 0.00 -1.05 0.00 0.00 58.31 57.22 1afp n LYS 27 Cb 0.45 -1.06 0.00 0.00 -0.65 0.00 0.00 35.03 33.77 1afp n LYS 27 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1afp n TYR 29 N -0.03 0.00 0.08 0.00 4.19 -1.26 -4.98 117.16 115.16 1afp n TYR 29 Ca 0.00 0.00 0.19 0.00 3.31 0.00 0.00 57.90 61.40 1afp n TYR 29 Cb 0.00 0.00 0.74 0.00 0.49 0.00 0.00 39.34 40.57 1afp n TYR 29 CO 0.00 0.00 0.00 0.28 0.91 0.00 0.00 176.86 178.05 1afp h VAL 30 N 0.00 0.55 -3.00 2.97 2.07 -2.02 -2.78 116.25 114.05 1afp h VAL 30 Ca 0.00 0.00 -0.76 0.00 0.82 0.00 0.00 66.70 66.76 1afp h VAL 30 Cb 0.00 0.73 -0.32 0.00 -1.52 0.00 0.00 31.29 30.19 1afp h VAL 30 CO 0.00 0.00 0.34 0.29 0.02 0.00 0.00 177.57 178.22 1afp n LYS 31 N -4.01 3.66 -1.17 1.57 4.01 -1.26 -5.05 118.16 115.91 1afp n LYS 31 Ca 0.07 -4.54 -0.38 0.00 -0.51 0.00 0.00 58.31 52.95 1afp n LYS 31 Cb 0.54 -2.46 0.02 0.00 -0.51 0.00 0.00 35.03 32.62 1afp n LYS 31 CO 0.00 0.00 0.00 1.17 -1.11 0.00 0.00 177.40 177.46 1afp n LYS 32 N 1.68 0.02 -1.65 1.97 4.81 -1.05 -4.75 118.16 119.19 1afp n LYS 32 Ca 0.25 0.01 -0.43 0.00 -0.87 0.00 0.00 58.31 57.28 1afp n LYS 32 Cb 0.36 -1.06 -0.00 0.00 0.02 0.00 0.00 35.03 34.35 1afp n LYS 32 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1afp h PRO 34 N 2.07 0.72 0.00 0.00 0.13 -1.85 -3.41 132.00 129.66 1afp h PRO 34 Ca -0.44 -0.70 0.00 0.00 -0.87 0.00 0.00 66.00 63.99 1afp h PRO 34 Cb 1.31 0.18 0.00 0.00 0.13 0.00 0.00 31.00 32.63 1afp h PRO 34 CO 0.60 1.29 0.00 2.89 -0.23 0.00 0.00 178.00 182.55 1afp n ARG 35 N -3.88 0.00 -1.39 0.86 1.85 -1.26 -4.87 116.66 107.96 1afp n ARG 35 Ca -0.09 0.00 -0.49 0.00 -1.00 0.00 0.00 57.85 56.26 1afp n ARG 35 Cb 0.83 0.00 -0.04 0.00 -1.05 0.00 0.00 32.46 32.20 1afp n ARG 35 CO 0.00 0.00 0.00 -3.47 -0.01 0.00 0.00 177.63 174.15 1afp n ASP 36 N 0.00 -0.96 0.00 2.89 2.03 -1.22 -0.07 116.55 119.22 1afp n ASP 36 Ca 0.00 1.11 0.00 0.00 0.52 0.00 0.00 54.79 56.42 1afp n ASP 36 Cb 0.00 -0.92 0.00 0.00 -0.72 0.00 0.00 41.12 39.48 1afp n ASP 36 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1afp n GLY 37 N 1.85 3.22 3.63 0.27 0.00 -0.79 -4.95 105.19 108.43 1afp n GLY 37 Ca 0.18 0.00 -0.55 0.00 0.00 0.00 0.00 46.02 45.65 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 -1.05 0.27 -1.72 4.61 0.00 0.90 -4.54 120.51 118.98 1afp n ALA 38 Ca 0.00 0.27 -0.38 0.00 0.00 0.00 0.00 53.44 53.33 1afp n ALA 38 Cb 0.00 -2.33 0.06 0.00 0.00 0.00 0.00 19.45 17.18 1afp n ALA 38 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1afp n LYS 39 N 6.29 1.26 -3.61 0.00 0.00 -1.26 0.60 118.16 121.45 1afp n LYS 39 Ca 0.30 0.48 -0.10 0.00 0.00 0.00 0.00 58.31 58.99 1afp n LYS 39 Cb 0.17 -2.50 -0.03 0.00 0.00 0.00 0.00 35.03 32.67 1afp n LYS 39 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1afp s GLU 41 N -3.82 0.29 -0.45 0.00 1.03 -1.02 -0.10 118.70 114.63 1afp s GLU 41 Ca 0.05 -0.19 -0.14 0.00 0.03 0.00 0.00 54.97 54.72 1afp s GLU 41 Cb -0.01 0.12 0.06 0.00 -0.80 0.00 0.00 34.13 33.51 1afp s GLU 41 CO -0.08 -0.06 0.35 0.12 -1.33 0.00 0.00 175.26 174.26 1afp s PHE 42 N -0.74 3.26 -0.03 4.83 5.36 -1.12 -0.54 117.98 129.00 1afp s PHE 42 Ca -0.08 -0.98 -0.30 0.00 -0.96 0.00 0.00 56.93 54.61 1afp s PHE 42 Cb -0.05 -3.01 -0.03 0.00 -0.34 0.00 0.00 43.02 39.59 1afp s PHE 42 CO 0.00 -0.77 1.04 -0.51 -1.46 0.00 0.00 175.22 173.52 1afp s ASP 43 N 2.33 7.26 0.00 6.13 1.11 -0.98 -1.77 116.67 130.75 1afp s ASP 43 Ca 0.04 1.67 0.16 0.00 0.18 0.00 0.00 52.55 54.61 1afp s ASP 43 Cb -0.23 -2.57 0.69 0.00 1.07 0.00 0.00 42.92 41.88 1afp s ASP 43 CO 0.06 -0.38 1.49 -1.54 1.18 0.00 0.00 175.17 175.98 1afp n SER 44 N 4.41 1.13 0.09 0.27 3.41 -1.26 -1.65 113.62 120.01 1afp n SER 44 Ca 0.08 -1.72 -0.17 0.00 -0.26 0.00 0.00 58.87 56.80 1afp n SER 44 Cb 0.49 -0.09 -0.14 0.00 -0.26 0.00 0.00 64.21 64.21 1afp n SER 44 CO 0.00 0.00 0.00 1.88 -0.16 0.00 0.00 175.04 176.76 1afp h TYR 45 N 1.42 0.53 0.00 7.33 0.05 -1.95 -3.41 116.97 120.95 1afp h TYR 45 Ca 0.00 -0.39 -0.07 0.00 0.05 0.00 0.00 58.73 58.32 1afp h TYR 45 Cb 0.32 -0.02 -0.01 0.00 1.01 0.00 0.00 36.73 38.02 1afp h TYR 45 CO 0.09 1.37 -1.23 1.63 -1.05 0.00 0.00 178.16 178.97 1afp n LYS 46 N -3.51 0.09 0.00 4.88 5.02 -1.24 -5.05 118.16 118.35 1afp n LYS 46 Ca -0.14 0.04 0.00 0.00 -2.02 0.00 0.00 58.31 56.19 1afp n LYS 46 Cb 1.04 -0.70 0.00 0.00 -0.02 0.00 0.00 35.03 35.35 1afp n LYS 46 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1afp n GLY 47 N 2.81 1.57 3.86 0.72 0.00 -0.66 -5.11 105.19 108.38 1afp n GLY 47 Ca -0.08 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.11 3.23 -0.98 1.61 -0.14 -1.24 -4.94 119.74 117.17 1afp s LYS 48 Ca 0.00 -0.51 -0.14 0.00 -1.36 0.00 0.00 55.97 53.97 1afp s LYS 48 Cb 0.00 -2.93 0.21 0.00 -1.68 0.00 0.00 37.83 33.43 1afp s LYS 48 CO 0.00 0.61 1.02 0.00 -0.76 0.00 0.00 175.35 176.22 1afp n TYR 50 N 4.34 0.94 1.34 0.00 4.02 0.30 -4.77 117.16 123.32 1afp n TYR 50 Ca 0.22 0.39 0.13 0.00 -0.01 0.00 0.00 57.90 58.63 1afp n TYR 50 Cb 0.45 -2.43 0.39 0.00 -0.02 0.00 0.00 39.34 37.73 1afp n TYR 50 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85