#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 2.83 -0.30 0.00 2.01 -1.26 -4.35 115.64 114.57 1afp s THR 2 Ca 0.00 0.75 -0.07 0.00 0.31 0.00 0.00 61.69 62.68 1afp s THR 2 Cb 0.00 -3.48 0.01 0.00 0.01 0.00 0.00 72.50 69.04 1afp s THR 2 CO 0.00 0.14 0.09 -0.31 -0.69 0.00 0.00 174.62 173.85 1afp s TYR 3 N -0.45 3.15 0.79 4.92 1.51 -0.62 -4.84 117.35 121.81 1afp s TYR 3 Ca 0.54 -0.93 -0.11 0.00 -1.01 0.00 0.00 57.07 55.56 1afp s TYR 3 Cb -0.40 -2.27 0.07 0.00 -0.11 0.00 0.00 41.96 39.26 1afp s TYR 3 CO 0.46 -0.56 1.09 -0.80 -1.11 0.00 0.00 175.55 174.62 1afp s ASN 4 N 1.51 4.43 0.00 2.29 -0.87 -1.26 -0.06 114.94 120.98 1afp s ASN 4 Ca 0.03 1.55 0.00 0.00 -1.57 0.00 0.00 52.86 52.86 1afp s ASN 4 Cb -0.17 -2.29 0.00 0.00 -0.02 0.00 0.00 41.25 38.77 1afp s ASN 4 CO 0.03 -2.04 0.00 0.61 -2.57 0.00 0.00 177.10 173.13 1afp n GLY 5 N -1.61 -0.66 3.22 0.66 0.00 0.05 -3.54 105.19 103.31 1afp n GLY 5 Ca 0.08 -0.42 -0.13 0.00 0.00 0.00 0.00 46.02 45.55 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 -1.24 0.98 0.28 1.61 1.02 -0.96 -1.46 119.74 119.97 1afp s LYS 6 Ca 0.00 -1.42 0.10 0.00 0.02 0.00 0.00 55.97 54.67 1afp s LYS 6 Cb 0.00 -0.39 -0.05 0.00 -0.52 0.00 0.00 37.83 36.86 1afp s LYS 6 CO 0.00 0.00 -0.15 0.00 -0.92 0.00 0.00 175.35 174.28 1afp s TYR 8 N -2.67 2.23 -0.14 0.00 1.51 0.32 -1.42 117.35 117.18 1afp s TYR 8 Ca 0.29 -0.57 -0.24 0.00 -1.01 0.00 0.00 57.07 55.54 1afp s TYR 8 Cb -0.01 -1.46 -0.25 0.00 -0.11 0.00 0.00 41.96 40.13 1afp s TYR 8 CO 0.14 -0.14 0.59 1.57 -1.11 0.00 0.00 175.55 176.60 1afp h LYS 9 N 5.89 0.07 -0.07 -0.62 2.10 -1.82 1.74 116.57 123.86 1afp h LYS 9 Ca -0.36 -0.12 0.02 0.00 -2.00 0.00 0.00 60.65 58.20 1afp h LYS 9 Cb 1.16 0.04 -0.00 0.00 -0.90 0.00 0.00 32.23 32.53 1afp h LYS 9 CO 0.47 1.06 0.09 -0.22 -2.00 0.00 0.00 179.45 178.85 1afp h LYS 10 N -0.83 0.00 0.00 0.07 3.64 -1.96 -0.03 116.57 117.46 1afp h LYS 10 Ca -0.16 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.22 1afp h LYS 10 Cb 1.27 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.09 1afp h LYS 10 CO -0.04 0.00 -0.87 -0.25 -2.27 0.00 0.00 179.45 176.02 1afp n ASP 11 N -3.74 1.31 -3.84 4.20 9.92 -1.24 -5.02 116.55 118.14 1afp n ASP 11 Ca -0.01 -0.45 -0.36 0.00 -0.53 0.00 0.00 54.79 53.44 1afp n ASP 11 Cb 0.19 1.19 0.03 0.00 -0.64 0.00 0.00 41.12 41.89 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 -1.48 -4.47 -3.41 -2.24 2.85 0.57 -4.88 115.26 102.19 1afp n ASN 12 Ca 0.00 -1.12 -0.18 0.00 -0.11 0.00 0.00 54.58 53.18 1afp n ASN 12 Cb 0.20 -2.76 -0.08 0.00 1.24 0.00 0.00 39.78 38.39 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 -3.54 0.00 -0.17 -1.44 -5.25 0.14 -2.02 121.20 108.92 1afp s ILE 13 Ca 0.44 -1.92 -0.02 0.00 -0.99 0.00 0.00 60.65 58.16 1afp s ILE 13 Cb -0.19 -2.53 0.05 0.00 2.95 0.00 0.00 42.46 42.75 1afp s ILE 13 CO 0.90 0.00 0.00 0.00 -1.79 0.00 0.00 174.94 174.05 1afp s LYS 15 N 1.77 3.23 -0.15 0.00 1.02 0.41 0.14 119.74 126.17 1afp s LYS 15 Ca -0.00 -0.45 -0.34 0.00 0.02 0.00 0.00 55.97 55.19 1afp s LYS 15 Cb -0.16 -2.61 0.14 0.00 -0.52 0.00 0.00 37.83 34.68 1afp s LYS 15 CO -0.07 -0.09 1.37 1.52 -0.92 0.00 0.00 175.35 177.15 1afp s TYR 16 N -2.45 -0.03 -0.03 3.18 -0.85 -0.86 -2.27 117.35 114.04 1afp s TYR 16 Ca 0.45 -0.00 -0.30 0.00 -0.52 0.00 0.00 57.07 56.70 1afp s TYR 16 Cb -0.10 0.51 -0.04 0.00 0.38 0.00 0.00 41.96 42.72 1afp s TYR 16 CO 0.37 -0.09 1.15 0.15 -1.52 0.00 0.00 175.55 175.61 1afp s LYS 17 N -2.16 4.40 0.56 -3.49 1.02 -1.23 -0.30 119.74 118.55 1afp s LYS 17 Ca 0.13 1.64 -0.20 0.00 0.02 0.00 0.00 55.97 57.56 1afp s LYS 17 Cb 0.04 -3.50 -0.05 0.00 -0.52 0.00 0.00 37.83 33.80 1afp s LYS 17 CO -0.05 -0.35 1.21 0.00 -0.92 0.00 0.00 175.35 175.25 1afp s ALA 18 N 1.81 2.65 0.44 5.17 0.00 -1.14 -4.75 121.76 125.94 1afp s ALA 18 Ca 0.55 1.02 0.31 0.00 0.00 0.00 0.00 51.96 53.84 1afp s ALA 18 Cb -0.25 -3.45 1.44 0.00 0.00 0.00 0.00 23.12 20.86 1afp s ALA 18 CO 0.24 -1.08 1.62 0.37 0.00 0.00 0.00 175.76 176.91 1afp h GLN 19 N 1.16 0.07 0.01 0.00 -0.00 -1.94 0.82 115.11 115.23 1afp h GLN 19 Ca -0.50 -0.00 -0.00 0.00 -0.00 0.00 0.00 58.65 58.14 1afp h GLN 19 Cb 1.29 -0.02 0.00 0.00 0.00 0.00 0.00 27.48 28.75 1afp h GLN 19 CO 0.56 0.05 -0.01 0.77 0.00 0.00 0.00 178.83 180.20 1afp h SER 20 N 0.07 -0.01 0.00 -0.69 0.02 -2.02 -3.48 113.55 107.44 1afp h SER 20 Ca 0.83 -0.55 0.00 0.00 -0.84 0.00 0.00 61.79 61.23 1afp h SER 20 Cb 2.62 0.00 0.00 0.00 0.14 0.00 0.00 62.40 65.17 1afp h SER 20 CO -0.42 0.55 0.00 0.61 -1.14 0.00 0.00 176.83 176.43 1afp n GLY 21 N 0.42 0.44 0.00 -3.77 0.00 0.28 -5.12 105.19 97.45 1afp n GLY 21 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.93 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 -3.64 1.61 4.81 -1.26 -4.34 118.16 115.35 1afp n LYS 22 Ca 0.00 0.00 -0.10 0.00 -0.87 0.00 0.00 58.31 57.34 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 -0.02 3.15 2.01 -1.26 -2.90 115.64 116.62 1afp s THR 23 Ca 0.00 0.00 0.03 0.00 0.31 0.00 0.00 61.69 62.03 1afp s THR 23 Cb 0.00 -1.00 -0.00 0.00 0.01 0.00 0.00 72.50 71.51 1afp s THR 23 CO 0.00 0.00 -0.12 0.00 -0.69 0.00 0.00 174.62 173.81 1afp s ALA 24 N 0.82 1.09 0.05 7.40 0.00 0.59 -4.68 121.76 127.03 1afp s ALA 24 Ca -0.03 -0.50 -0.04 0.00 0.00 0.00 0.00 51.96 51.39 1afp s ALA 24 Cb -0.05 -0.35 -0.05 0.00 0.00 0.00 0.00 23.12 22.68 1afp s ALA 24 CO -0.08 0.22 0.26 0.42 0.00 0.00 0.00 175.76 176.59 1afp s ILE 25 N -0.03 5.32 -0.28 0.00 1.09 -1.26 -2.04 121.20 124.00 1afp s ILE 25 Ca -0.00 -0.07 -0.04 0.00 -1.10 0.00 0.00 60.65 59.44 1afp s ILE 25 Cb -0.08 -3.59 0.09 0.00 -1.06 0.00 0.00 42.46 37.82 1afp s ILE 25 CO 0.00 0.22 0.12 0.00 -0.10 0.00 0.00 174.94 175.18 1afp n LYS 27 N 5.21 0.00 -3.32 0.00 4.01 -1.26 -0.14 118.16 122.66 1afp n LYS 27 Ca -0.06 0.00 -0.38 0.00 -0.51 0.00 0.00 58.31 57.36 1afp n LYS 27 Cb 0.43 -0.98 -0.06 0.00 -0.51 0.00 0.00 35.03 33.91 1afp n LYS 27 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1afp s TYR 29 N 0.78 2.87 0.00 0.00 1.13 -1.26 -4.72 117.35 116.15 1afp s TYR 29 Ca 0.25 -0.43 0.00 0.00 -1.41 0.00 0.00 57.07 55.48 1afp s TYR 29 Cb -0.15 -1.83 0.00 0.00 -1.10 0.00 0.00 41.96 38.88 1afp s TYR 29 CO 0.10 -0.06 0.00 0.28 -2.51 0.00 0.00 175.55 173.35 1afp n VAL 30 N 3.25 0.00 -0.77 -3.49 0.31 -1.26 -4.35 118.33 112.02 1afp n VAL 30 Ca -0.18 0.00 -0.27 0.00 -0.01 0.00 0.00 64.34 63.88 1afp n VAL 30 Cb 0.53 0.00 -0.03 0.00 -0.91 0.00 0.00 33.84 33.42 1afp n VAL 30 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 1afp n LYS 31 N 0.00 1.57 -0.92 5.55 5.02 -1.26 -4.90 118.16 123.22 1afp n LYS 31 Ca 0.00 -1.45 -0.35 0.00 -2.02 0.00 0.00 58.31 54.49 1afp n LYS 31 Cb 0.00 -2.55 0.07 0.00 -0.02 0.00 0.00 35.03 32.53 1afp n LYS 31 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 1afp n LYS 32 N 5.35 -0.18 -2.18 1.97 4.81 -1.26 -4.56 118.16 122.11 1afp n LYS 32 Ca 0.41 -0.04 -0.41 0.00 -0.87 0.00 0.00 58.31 57.40 1afp n LYS 32 Cb 0.21 -1.30 -0.03 0.00 0.02 0.00 0.00 35.03 33.94 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 4.51 0.20 0.00 0.00 0.13 -1.90 -3.40 132.00 131.55 1afp h PRO 34 Ca -0.46 -0.20 0.00 0.00 -0.87 0.00 0.00 66.00 64.47 1afp h PRO 34 Cb 1.22 0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.40 1afp h PRO 34 CO 0.72 0.90 0.00 2.89 -0.23 0.00 0.00 178.00 182.28 1afp n ARG 35 N -3.71 0.00 -1.43 0.86 1.85 -1.26 -4.88 116.66 108.09 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 0.76 0.00 -0.06 0.00 -1.05 0.00 0.00 32.46 32.11 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 -0.43 0.00 2.89 8.00 -1.24 -0.00 116.55 125.77 1afp n ASP 36 Ca 0.00 1.12 0.00 0.00 0.71 0.00 0.00 54.79 56.62 1afp n ASP 36 Cb 0.00 -0.91 0.00 0.00 -0.02 0.00 0.00 41.12 40.19 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 1.63 2.38 3.68 0.44 0.00 -0.51 -4.96 105.19 107.85 1afp n GLY 37 Ca 0.19 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.75 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 -1.84 1.28 -1.74 4.61 0.00 0.99 -4.60 120.51 119.21 1afp n ALA 38 Ca 0.00 0.28 -0.37 0.00 0.00 0.00 0.00 53.44 53.35 1afp n ALA 38 Cb 0.00 -2.55 0.06 0.00 0.00 0.00 0.00 19.45 16.96 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 3.78 2.69 0.20 0.00 2.20 -1.26 0.13 119.74 127.48 1afp s LYS 39 Ca 0.89 2.01 -0.20 0.00 -0.36 0.00 0.00 55.97 58.32 1afp s LYS 39 Cb -0.59 -1.88 0.07 0.00 -1.51 0.00 0.00 37.83 33.92 1afp s LYS 39 CO 0.46 -1.48 0.96 0.00 -0.36 0.00 0.00 175.35 174.93 1afp s GLU 41 N -2.05 0.31 -0.40 0.00 -1.05 -1.22 -0.77 118.70 113.51 1afp s GLU 41 Ca 0.21 0.32 -0.17 0.00 -0.15 0.00 0.00 54.97 55.18 1afp s GLU 41 Cb -0.03 0.15 0.01 0.00 -0.44 0.00 0.00 34.13 33.82 1afp s GLU 41 CO 0.06 -0.04 0.42 0.12 0.95 0.00 0.00 175.26 176.77 1afp s PHE 42 N 0.07 3.18 0.27 4.83 5.36 0.91 -1.81 117.98 130.79 1afp s PHE 42 Ca -0.01 -0.26 -0.29 0.00 -0.96 0.00 0.00 56.93 55.41 1afp s PHE 42 Cb -0.02 -2.83 -0.10 0.00 -0.34 0.00 0.00 43.02 39.74 1afp s PHE 42 CO 0.00 -0.62 1.29 0.34 -1.46 0.00 0.00 175.22 174.77 1afp s ASP 43 N 1.78 6.88 -0.09 6.13 -1.08 -1.20 -1.58 116.67 127.52 1afp s ASP 43 Ca 0.12 2.53 0.15 0.00 -0.52 0.00 0.00 52.55 54.83 1afp s ASP 43 Cb -0.17 -2.63 -0.22 0.00 -1.46 0.00 0.00 42.92 38.44 1afp s ASP 43 CO 0.13 -0.48 0.20 -1.54 0.52 0.00 0.00 175.17 173.99 1afp n SER 44 N 1.56 1.29 0.25 -0.34 3.41 -1.26 -2.02 113.62 116.52 1afp n SER 44 Ca 0.02 0.00 0.17 0.00 -0.26 0.00 0.00 58.87 58.81 1afp n SER 44 Cb 0.42 1.29 0.83 0.00 -0.26 0.00 0.00 64.21 66.49 1afp n SER 44 CO 0.00 0.00 0.00 0.10 -0.16 0.00 0.00 175.04 174.98 1afp h TYR 45 N 0.00 0.00 0.00 7.33 -0.00 -1.91 -3.33 116.97 119.06 1afp h TYR 45 Ca -0.21 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.52 1afp h TYR 45 Cb 1.36 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 38.09 1afp h TYR 45 CO 0.00 0.00 0.00 0.36 -0.00 0.00 0.00 178.16 178.52 1afp n LYS 46 N -3.24 0.00 0.00 0.10 2.85 -1.26 -5.05 118.16 111.57 1afp n LYS 46 Ca 0.01 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.27 1afp n LYS 46 Cb 0.42 -0.18 0.00 0.00 -0.65 0.00 0.00 35.03 34.61 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 0.92 1.80 0.00 2.58 0.00 -0.86 -5.10 105.19 104.53 1afp n GLY 47 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1afp n GLY 47 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1afp n LYS 48 N -0.11 -0.17 -3.32 1.61 5.02 -1.21 -4.79 118.16 115.20 1afp n LYS 48 Ca 0.00 0.00 -0.18 0.00 -2.02 0.00 0.00 58.31 56.11 1afp n LYS 48 Cb 0.00 0.00 -0.07 0.00 -0.02 0.00 0.00 35.03 34.94 1afp n LYS 48 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1afp n TYR 50 N 3.90 1.20 1.80 0.00 4.02 -0.75 -4.59 117.16 122.74 1afp n TYR 50 Ca 0.15 -1.39 0.15 0.00 -0.01 0.00 0.00 57.90 56.80 1afp n TYR 50 Cb 0.46 -1.37 0.78 0.00 -0.02 0.00 0.00 39.34 39.18 1afp n TYR 50 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85